cleanup, scripts adjusted, improved figures

33 files changed, 105253 insertions, 0 deletions

diff --git a/crossvalidations/cdk/tensorflow/pred.lr.v4.csv b/crossvalidations/cdk/tensorflow/pred.lr.v4.csv
new file mode 100644
index 0000000..5b7503c
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/pred.lr.v4.csv
@@ -0,0 +1,8084 @@
+name,pred
+C1CC=C2C(C1)CCc1c2cccc1,0.27145400643348694
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.7221681475639343
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8910121917724609
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.8998563885688782
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.21827515959739685
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.40158724784851074
+CC(=C)C(Cl)C,0.2428806573152542
+Oc1ccc2c(c1)oc(=O)cc2C,0.31726449728012085
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.3205699026584625
+C1COCCS1,0.18448464572429657
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9476911425590515
+C/N=N/O.[K+],0.600594699382782
+COC(=O)c1ccccc1C(=O)OC,0.24117667973041534
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.5414518117904663
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.3775993287563324
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7771817445755005
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.8379819989204407
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.0793750137090683
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.3256424367427826
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.5053490400314331
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.46669548749923706
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.7453993558883667
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.15315333008766174
+NNC(=O)N,0.7397347092628479
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.7650589942932129
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.225816011428833
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.4408937394618988
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.37513330578804016
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.802428126335144
+CN(C#N)N=O,0.9265775680541992
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.10205546766519547
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.667591392993927
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6190966367721558
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.019229713827371597
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9695990681648254
+O=C1C=CC(=O)c2c1c(O)ccc2,0.4196324944496155
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.5307273864746094
+Oc1cc2ccccc2c2c1cccc2,0.6152844429016113
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7217748761177063
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.1045728549361229
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.05317138507962227
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.3281630873680115
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.3252672553062439
+Cc1ccc2c(c1)nn[nH]2,0.692061185836792
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.3684803545475006
+ClC(=O)c1ccc(cc1)C,0.353533536195755
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9408851861953735
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.2256818562746048
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.14616787433624268
+O=Nc1cc2OCOc2cc1O,0.503423810005188
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.3840198814868927
+NCc1cccc(c1)CN,0.4117712080478668
+CC(COC(=O)C(=C)C)C,0.2080676108598709
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.26784542202949524
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5610879063606262
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.06103746220469475
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.8989454507827759
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.23007500171661377
+OC[C@@H](CCl)Cl,0.7292526960372925
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.6979537010192871
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.6292398571968079
+SC(=N/C=C/N=C(S)S)S,0.47352537512779236
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.18426717817783356
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.2667997181415558
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.05770571157336235
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.562711238861084
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.8428777456283569
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.05553041025996208
+CCCCOC(=O)CCC,0.14495940506458282
+OC1=C(C)CCC1=O,0.35393089056015015
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9733044505119324
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9324737787246704
+BrC(=C)C(=O)C,0.2169993817806244
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7070345878601074
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.6221627593040466
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.1778944432735443
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.20822644233703613
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.348117470741272
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.7565829753875732
+OC(=O)C(Cc1ccc(cc1)O)N,0.13777515292167664
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.6795190572738647
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.486884742975235
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.22280287742614746
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8480504155158997
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.28898823261260986
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.588398277759552
+C1CCC[C@H]2[C@@H](CC1)O2,0.42511019110679626
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.8705201148986816
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.46391600370407104
+CC(=O)Nc1ccnc2c1cccc2,0.296150267124176
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.1810910850763321
+CNC(=O)ON.Cl,0.6839255094528198
+CCCCOCCOCCSC#N,0.3878234922885895
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9380416870117188
+OC(=O)C(CCl)Cl,0.5650110840797424
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8911668062210083
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.6775733828544617
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.4952149987220764
+OC(=O)/C=C/c1ccc(cc1)Cl,0.08468692004680634
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.06070886179804802
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.5128418207168579
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.21994784474372864
+C=CCOC(=O)C=C,0.30060523748397827
+O/N=C(/c1ccc(c(c1)O)O)\N,0.7785179615020752
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9579947590827942
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8139808773994446
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.46047458052635193
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.18884341418743134
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.8568660616874695
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.8039239645004272
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.1582236886024475
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9102345705032349
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.28120195865631104
+CCO,0.1099032536149025
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.39331597089767456
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.11401406675577164
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.8314472436904907
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.043433722108602524
+CCCCCCCCO,0.13962635397911072
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9424062967300415
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.8753036260604858
+OCC(CO)O,0.26766133308410645
+NC(=O)NCC=C,0.5710045695304871
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.8117046356201172
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.1486634761095047
+O=NN1CCCC[C@H]1C,0.4825170636177063
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7853266000747681
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.04557972028851509
+n1ccc(cc1)c1ccncc1,0.17788474261760712
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.812687873840332
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.2613493800163269
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.24259230494499207
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.28153008222579956
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.3694811463356018
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.6544669270515442
+Cc1c2ccccc2c(c2c1cccc2)C,0.6405847668647766
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6122037172317505
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.07056815922260284
+C[N+]1=CC=C(CC1)c1ccccc1,0.1625731885433197
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6177530884742737
+Cn1c(N)nc2c1cccc2,0.48622602224349976
+COc1ccc2c(c1)nc([nH]2)N,0.5376805067062378
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.6260498762130737
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.46349653601646423
+Nc1cccc(c1C)N.Cl.Cl,0.5051050186157227
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7150532007217407
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9051669239997864
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.3362017571926117
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.605897068977356
+C[C@H](CNC[C@H](O)C)O,0.13466963171958923
+O=Cc1ccc(c(c1)Cl)Cl,0.32507580518722534
+ONc1ccc(c(c1)C)C,0.4657154679298401
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.14522257447242737
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5128241777420044
+CCCCN(COC(=O)C)N=O,0.7514470219612122
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.4896125793457031
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.8974784016609192
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8161176443099976
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.7563894987106323
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.05440720170736313
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.8120778203010559
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.3046828508377075
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.45711034536361694
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8196940422058105
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9169608950614929
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.12399081140756607
+OC(C(F)(F)F)C(F)(F)F,0.044631022959947586
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.8570625185966492
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6372985243797302
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.49754849076271057
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.585793137550354
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.6576839685440063
+C=CC(=O)OCCCCCOC(=O)C=C,0.24478909373283386
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.8309023976325989
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.5264896154403687
+OC[C@@H](CBr)Br,0.8072450757026672
+Cc1ccc(c(c1O)C)C,0.13157108426094055
+ClN1C2C1c1ccccc1-c1c2cccc1,0.8653713464736938
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.2843506336212158
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.1521284133195877
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.5814560055732727
+Fc1cnc2c(c1)cccc2,0.23113664984703064
+O=CC=C(C)C,0.3583582937717438
+O=Nc1cccc(c1C)[N+](=O)[O-],0.8018342852592468
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.5623672604560852
+CC(=O)Nc1ccc2c(n1)cccc2,0.37589457631111145
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.5619727373123169
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.14552463591098785
+ClC(C(Cl)(Cl)Cl)Cl,0.2589641213417053
+[O-][N+](=O)c1cccc(c1N)N,0.875475287437439
+COC(=O)c1ccc(cc1)C(=O)OC,0.3167049288749695
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3107007145881653
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.24897320568561554
+BrC(C(Br)(Br)Br)Br,0.29437509179115295
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9579645395278931
+CCNc1nc(NCC)nc(n1)Cl,0.09170518815517426
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.5128241777420044
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.22128286957740784
+CCOC(C(=O)C(O)O)C,0.11219953000545502
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5623049736022949
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.885589599609375
+NCCc1cc(O)c(cc1O)O,0.4776226580142975
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9863584637641907
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.5800706148147583
+Nc1nc2-c3cccnc3CCc2s1,0.7081817388534546
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.3320588767528534
+[O-][N+](=O)c1ccccc1N,0.7939585447311401
+ClCCNCCCl,0.7057936787605286
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.3171446919441223
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6394706964492798
+Oc1ccc(cc1)[N+](=O)[O-],0.6557662487030029
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.025400817394256592
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.6797589063644409
+ONc1ncnc2c1ncn2Cc1ccccc1,0.5490570664405823
+O(Cc1ccccc1)C[C@H]1OC1,0.7488905191421509
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.905670166015625
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.282955527305603
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.335661917924881
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.42134547233581543
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9365020990371704
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.7205765843391418
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6087587475776672
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.16215412318706512
+Nc1cccc2c1nc1c(N)cccc1n2,0.844396710395813
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.27402812242507935
+COc1ccc(cc1)C=O,0.3399946391582489
+CN(C(=O)C#N)C,0.4235810339450836
+CCCC(=O)Nc1snc2c1cccc2,0.2379731386899948
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.30530503392219543
+Clc1ccc(cc1)[N+](=O)[O-],0.6783233880996704
+OCc1cccc(c1)[N+](=O)[O-],0.6648374795913696
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.12720651924610138
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.18397650122642517
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.34921303391456604
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.6415895223617554
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.08970483392477036
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.488719642162323
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.6315345764160156
+CC/C=C/C=O,0.3726653456687927
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.1440277397632599
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.10166430473327637
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.27359074354171753
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8653713464736938
+CCCCCCCCBr,0.24802228808403015
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9727128148078918
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.1256604790687561
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9628492593765259
+C1CCC(CC1)N=C=NC1CCCCC1,0.27546602487564087
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.7831477522850037
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.8657123446464539
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.15595336258411407
+O=C1CCC(=O)O1,0.21381732821464539
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9657953977584839
+[O-][N+](=O)c1cccc2c1nsc2,0.5934002995491028
+CNC(=O)NO,0.318617045879364
+Nc1ccc2c(c1)ccc1c2cccc1,0.9125320315361023
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.19869185984134674
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.7762976884841919
+OC(=O)/C=C\C(=O)O,0.16913442313671112
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.028696522116661072
+CC(=O)OO,0.5789310336112976
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.26640385389328003
+COC(CCOC(=O)C)C,0.22610685229301453
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.23753759264945984
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7622995376586914
+CCCC[C@H]1CO1,0.708911657333374
+C1CC2OC2CCC2C1O2,0.6152253150939941
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.82745760679245
+Oc1c2ccccc2nc2c1cco2,0.3913033604621887
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9510999917984009
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.4448004364967346
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.1918295919895172
+Fc1ccc2c(c1)nccc2,0.30361858010292053
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.7811950445175171
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9625328779220581
+Br[C@H](CBr)COC(=O)C=C,0.6084033250808716
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.3539207875728607
+ClCc1ccc(cc1)OC,0.6450056433677673
+ONc1cnc2c(c1C)nc1n2cccc1C,0.7885639667510986
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.19982454180717468
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7809650897979736
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5412036776542664
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8498026132583618
+OC(=O)C[C@@H](C(=O)O)C,0.08272971957921982
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.6808502078056335
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.3642598092556
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.10378649085760117
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.6661608815193176
+CC(Br)Br,0.4232454299926758
+Nc1cc2nc3ccccc3nc2cc1N,0.9148269891738892
+Nc1ccc(c(c1)Cl)C.Cl,0.6353214383125305
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.11718356609344482
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9818941950798035
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.21046826243400574
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6618223190307617
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8204245567321777
+C=CCCC(C=O)CC,0.14686350524425507
+CC/C=C/[C@H](C=O)CC,0.1897241771221161
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9241706132888794
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.3796442747116089
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.6645485758781433
+O=C1NCCN1c1nccs1,0.28350919485092163
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.7077547311782837
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.9321139454841614
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.33510103821754456
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.24015244841575623
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.12004375457763672
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7997949719429016
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.03828115016222
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.09162089973688126
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.38648736476898193
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8549857139587402
+OCOC(C)(C)C,0.04780236631631851
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8076847791671753
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.42277294397354126
+O=Cc1cccc(c1Cl)Cl,0.2864735722541809
+Clc1nc2ccccc2nc1Cl,0.209471195936203
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.5468076467514038
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.38715094327926636
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.1573619842529297
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9777882695198059
+ICCc1ccc(cc1)OCc1ccccc1,0.4411052167415619
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.5731137990951538
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.15325535833835602
+N#Cc1cccc(c1)C#N,0.27320659160614014
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.8279975652694702
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.8085610270500183
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.213036447763443
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.8486698865890503
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.6591401100158691
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.6733967661857605
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.7332490086555481
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.5369450449943542
+C/C=C/c1ccc(cc1)OC,0.5307738184928894
+NNC(=O)CNC(=O)C=N#N,0.862240195274353
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1281030923128128
+Cc1ccc(cc1)N=NN(C)C,0.6689122915267944
+ClCCC(=O)N(c1snc2c1cccc2)C,0.6453695297241211
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7560615539550781
+CC(=O)Nc1cccc2c1nccc2,0.421988308429718
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.6545330286026001
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.1238628625869751
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.12622033059597015
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.30478328466415405
+BrCc1ccc(cc1)Br,0.6041902303695679
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.8305345773696899
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.39761289954185486
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.11759413778781891
+C/C=C/C,0.13084381818771362
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8638841509819031
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.44374004006385803
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.22979101538658142
+O=C1NC(=O)NC(=O)C1(O)O,0.10958131402730942
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.08013762533664703
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.7827837467193604
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.7472752928733826
+Nc1nc2c(s1)ccc1c2cccn1,0.8975690007209778
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.17284002900123596
+CCCCOB(OCCCC)OCCCC,0.06259401887655258
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.38509970903396606
+CC(=O)c1ccc[nH]1,0.39682865142822266
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.04920917749404907
+Clc1ccc2c(c1)nc([nH]2)N,0.38820552825927734
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.24686773121356964
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3742368817329407
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.835482120513916
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.06182955950498581
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.27419108152389526
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.05604224279522896
+CCCCSCC[C@@H](C(=O)O)N,0.23629561066627502
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7790060043334961
+Cc1ccc2c(c1)nc(n2C)N,0.5894485712051392
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.7505131363868713
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.11042742431163788
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.8795005083084106
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.17653515934944153
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.37177595496177673
+c1cnc2c(c1)CCC1C2O1,0.41441506147384644
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.3917166590690613
+CCCCN(CC(=O)C)N=O,0.7465233206748962
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.18763324618339539
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.7781818509101868
+ONc1ccc(cc1)Oc1ccccc1,0.6565684676170349
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.942583441734314
+CCOC(=O)CNC(=O)C(Br)(C)C,0.4125317633152008
+CCC/N=N/O.[K+],0.5469081997871399
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.7176663279533386
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.3238205313682556
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.14061971008777618
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.7430360913276672
+Cc1cccc2c1cc1ccccc1c2,0.8243306875228882
+Cn1ccnc1S,0.15860280394554138
+COc1cc(cc(c1O)OC)C(=O)C,0.3418530225753784
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.2906222343444824
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.3448558747768402
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.5645564794540405
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.6497279405593872
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.4711231291294098
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.14344355463981628
+NCCNCCO,0.42406517267227173
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.6263387799263
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.49467015266418457
+Cc1cccc(c1)N.Cl,0.48000913858413696
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.02116907201707363
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.8443953394889832
+CC(=O)Nc1ccc(cc1)N,0.515851616859436
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.8411790728569031
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9350726008415222
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.6045212745666504
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.20755743980407715
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.896285355091095
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6744773387908936
+OC(=O)CCN[N+](C)(C)C,0.04453907161951065
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9766439199447632
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.5264896154403687
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.33376479148864746
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.11885623633861542
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.550747811794281
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.6687977313995361
+Clc1ccnc2c1cccc2,0.2973824441432953
+OCc1ccc(cc1)Br,0.47850221395492554
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.07713451981544495
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8597281575202942
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.8749720454216003
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.05189066007733345
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.14151525497436523
+Cc1nc2c(nc1C)ccc(c2C)N,0.7395265698432922
+CC(c1ccccc1)Cl,0.4523085951805115
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2643686532974243
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9692955017089844
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.6151801943778992
+OCCN(CC(=O)O)N=O,0.381879985332489
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.051738619804382324
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.41253966093063354
+C[Si](N=N#N)(C)C,0.7017081379890442
+O=Nc1ccc(cc1)N(C)C,0.8395067453384399
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.06339822709560394
+O=Nc1ccc(cc1)Sc1ccccc1,0.7598099708557129
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.5822814702987671
+COC(C)(C)C,0.16823893785476685
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.2711964547634125
+ClCCN(c1ccc(cc1)C)CCCl,0.6206859350204468
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.1594962775707245
+CCOCCOCCOCC,0.22724929451942444
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.6310873627662659
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.7884119749069214
+C/C=C(/C=O)\Cl,0.6032217741012573
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.19984756410121918
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.36120277643203735
+OC(=O)/C=C/c1c[nH]cn1,0.08126615732908249
+NC(C(=O)O)CSC(C(F)F)(F)F,0.38403019309043884
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.18983402848243713
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.5099846124649048
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.10388704389333725
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9427644610404968
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.4594847559928894
+Clc1ccc(c(c1)Cl)N,0.6556676030158997
+CCCC[C@@H](C(=O)O)CC,0.021290447562932968
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.17789940536022186
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.17787744104862213
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.261650949716568
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.4137498736381531
+[N-]=[N+]=NC[C@@H](CO)O,0.7250714898109436
+CC1(CO1)C=C,0.6728401780128479
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.575953483581543
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.04175245016813278
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.8506307601928711
+O=CN(c1ccc(cc1)c1ccccc1)O,0.624970555305481
+CC(=O)CC(=O)C,0.10271390527486801
+OC1CC2C(C1(C)CC2)(C)C,0.029839729890227318
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.5991241335868835
+NC(C(=O)O)Cc1ccccc1,0.12692755460739136
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.5401824116706848
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7199280261993408
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.6777280569076538
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.09105562418699265
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.6946021318435669
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.8392618298530579
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8776860237121582
+O/N=C/c1ccncc1,0.3680645227432251
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.0826650932431221
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.7709065079689026
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.8577712178230286
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9637523889541626
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8897777795791626
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.05539076402783394
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.46349653601646423
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.11773686110973358
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9171598553657532
+O1CCOCC1,0.08807219564914703
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.11159233748912811
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.07776457816362381
+c1ncn[nH]1,0.2968742251396179
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.2013821303844452
+C=CCCCC[C@@H]1OC1,0.658737063407898
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.07500089704990387
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.34126871824264526
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.24161401391029358
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.7658411860466003
+CN(N=O)CC,0.8378562927246094
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.27018076181411743
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.4807620942592621
+CC(=O)c1cccn1[N+](=O)[O-],0.7333123683929443
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.6385063529014587
+Cl[C@H]1O[C@H]1CBr,0.9728959798812866
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.4244416654109955
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.17158837616443634
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.040175046771764755
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.3098328709602356
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.6422728300094604
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.19673970341682434
+O=NN1CCC[C@@H](C1)C,0.549116313457489
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6858820915222168
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.15566322207450867
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.22801096737384796
+OCC(=O)N(c1ccc(cc1)Cl)O,0.36767813563346863
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9398196935653687
+OC1c2ccccc2Oc2c1cccc2,0.3058610260486603
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.07629615813493729
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7094246745109558
+ClCC(=O)Nc1c(CC)cccc1CC,0.325294554233551
+Nc1nc2c(n1C)ccc1c2cccn1,0.797990620136261
+Clc1cccc(c1NC1=NCCN1)Cl,0.33194559812545776
+CC(C(C)(C)C)OP(=O)(F)C,0.05117527395486832
+CCN(CCCC(=O)O)N=O,0.6332980990409851
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7881888151168823
+C=CCc1ccc2c(c1)OCO2,0.2538289725780487
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.16361506283283234
+OC(=O)/C=C/Cl,0.641189694404602
+O=CC=CNCCCCC(C(=O)O)N,0.263171911239624
+CNc1ccccc1N,0.7418906092643738
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.07445292919874191
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.35433876514434814
+O=NN(Cc1ccccc1)Cc1ccccc1,0.6838254332542419
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.14065739512443542
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.3590022623538971
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.045961327850818634
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.21606354415416718
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.77289879322052
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.03199115768074989
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.7983686327934265
+Cc1cccc2c1nn[nH]2,0.7392225861549377
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.11939603090286255
+O=C1NS(=O)(=O)c2c1cccc2C,0.14990372955799103
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.1654273122549057
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.9009280204772949
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.6390942335128784
+OC(=O)c1cc(Cl)cc(c1)Cl,0.10632511228322983
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.7967872023582458
+Cc1ccc(c(c1)N)C,0.4832095205783844
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9714188575744629
+CCCNc1snc2c1cccc2,0.5567299127578735
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.921222984790802
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.724770188331604
+CC[C@H](c1ccccc1O)C,0.0698784813284874
+CNC(=O)NC,0.2829987108707428
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7765832543373108
+Nc1cccc(c1C)N,0.5051050186157227
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.37324243783950806
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.1886032074689865
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.16913442313671112
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.047900162637233734
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.2646147310733795
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.09988157451152802
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.20137622952461243
+Fc1cccc2c1nccc2,0.22159306704998016
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.07793184369802475
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.3396250605583191
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.2805006504058838
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.6503700017929077
+OCC1CC1,0.5479093194007874
+ClCCN(C(=O)NC1CCCCC1)N=O,0.8527060747146606
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.4215359687805176
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.019998859614133835
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.3694811463356018
+CC/C=C/C,0.12547175586223602
+ClC(c1ccccc1)C(=O)Cl,0.41826605796813965
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.3721737563610077
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.10136842727661133
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.6292398571968079
+OCC(C(=O)O)N,0.22529765963554382
+OCC=C(CCC=C(C)C)C,0.14830239117145538
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9409836530685425
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.880431056022644
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9168790578842163
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.4863048493862152
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.5761767625808716
+C=CCc1ccc(c(c1)O)O,0.24905213713645935
+FC[C@H]1CO1,0.9266504049301147
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.11335252225399017
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.21521823108196259
+CCCC(=O)Cl,0.22217707335948944
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8172219395637512
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.19416512548923492
+OC(=O)Cc1ccc(c(c1)O)O,0.13992662727832794
+CSCC(C(=O)O)N,0.19443345069885254
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.3529421091079712
+O=NN(CC(=O)O)CC(=O)O,0.277301162481308
+OCC(Cl)(Cl)Cl,0.3954785466194153
+ClC(=O)c1c(Cl)cccc1Cl,0.1394016444683075
+Nc1cccc(c1)Cl,0.37385034561157227
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.2321823090314865
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.8173446655273438
+Clc1ccc(cc1)[S@](=O)C,0.28220847249031067
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.7274339199066162
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.3295050263404846
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.5375707149505615
+CCCCCCOC[C@H]1CO1,0.7351914644241333
+NC(C(=O)O)Cc1ncn[nH]1,0.05609455704689026
+Clc1ccc(c(c1)Cc1ccccc1)O,0.1847723126411438
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.7528396844863892
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.8069931268692017
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.07964245229959488
+CC(=O)Nc1cccc2c1ncc(c2)F,0.24776983261108398
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4300835132598877
+O=NN1CCN([C@H](C1)C)N=O,0.7247143983840942
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.32718610763549805
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.8334585428237915
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.6874068975448608
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.7972396612167358
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5961943864822388
+Nc1nccs1,0.5860632658004761
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13072167336940765
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.6703368425369263
+O=C1C(O)CC(N1C)c1cccnc1,0.12428587675094604
+OCCCCN(N=O)C,0.7597330808639526
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8316571116447449
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.6882483959197998
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.16506269574165344
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.09385310113430023
+OCC[N+](C)(C)C,0.04466564208269119
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.7022186517715454
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.6477386355400085
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.3972189426422119
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.03158874064683914
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.09475278109312057
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.6946392059326172
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7859784364700317
+FC(c1ccccc1)(F)F,0.1249527707695961
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.032615017145872116
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.942074179649353
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.6018252968788147
+Ic1cc(Cl)c2c(c1O)nccc2,0.3584429621696472
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.3635156750679016
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.6593247652053833
+Fc1cc2cccnc2c(c1)F,0.19309060275554657
+Nc1cccc2c1ccc1c2cccc1,0.9174067378044128
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.6309102177619934
+CCCCN(CCC)N=O,0.6923145055770874
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.10658304393291473
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.025320982560515404
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.7657848596572876
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.1057610884308815
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8159410357475281
+c1ccc2c(c1)[nH]nn2,0.6619999408721924
+O=NN1CCCN(CC1)N=O,0.6142966747283936
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.2401081770658493
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.705890417098999
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.2122240513563156
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3369935154914856
+ON(c1ccc(cc1)Br)C(=O)C,0.5921858549118042
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5472814440727234
+O/N=C/c1ccccn1,0.23551900684833527
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.04676134139299393
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.05465526133775711
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8245943784713745
+CC(OC(Cl)(C)C)(Cl)C,0.03488191217184067
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.948015034198761
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.6571910381317139
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.6660640835762024
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.2312391698360443
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.3539524972438812
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.1333290934562683
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.545744776725769
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.10207216441631317
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7937622666358948
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.05120489001274109
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.7715803980827332
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.10457305610179901
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.4130362570285797
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.16028055548667908
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.6996228694915771
+NCCc1c[nH]c2c1cccc2,0.6649441123008728
+CCN/N=N/CC,0.800599217414856
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.41016826033592224
+Clc1cc(Cl)c(cc1O)Cl,0.1799759417772293
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.5667506456375122
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.12750205397605896
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.3321625292301178
+CCNc1snc2c1cccc2,0.6456927061080933
+CCCCCCCCCCC,0.09328870475292206
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7943505644798279
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5963114500045776
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.3060288727283478
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.7935269474983215
+CCOC[C@H]1CO1,0.7650336623191833
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.4656914174556732
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.33228981494903564
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.37800127267837524
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.5361582040786743
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.1596294492483139
+COCCOC(=O)C=C,0.36658307909965515
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.11882816255092621
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.5217669606208801
+Ic1cccc(c1)[N+](=O)[O-],0.6152389645576477
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.27202147245407104
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.021925318986177444
+CC(=O)NN,0.6801410913467407
+CC(=O)C(=O)C,0.329439640045166
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5300737619400024
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.8536151051521301
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.5533720254898071
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.7735080122947693
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.6303180456161499
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.5106004476547241
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.13270482420921326
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.2632364332675934
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9476936459541321
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.4370942711830139
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.15212272107601166
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.6282243132591248
+CN=[N+](C)[O-],0.565618634223938
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.5379430651664734
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.1568324863910675
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9024120569229126
+CCCCCCCCCC(=O)O,0.04832804203033447
+CC/C=C/CC/C=C/C=O,0.33937668800354004
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.33374181389808655
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.14427749812602997
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6571654677391052
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8807212710380554
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.18172533810138702
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.32335323095321655
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.44385844469070435
+OCc1ccco1,0.3032792806625366
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.554895281791687
+OC(=O)C(=O)O,0.14073458313941956
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.7720504999160767
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.15512894093990326
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.09172366559505463
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.5930789709091187
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8036696314811707
+NC(=O)CBr,0.8896015882492065
+CCCCCC,0.0537346787750721
+NCCCCC(C(=O)O)N,0.23753038048744202
+Cc1cc(C)c(c(c1)C)C,0.08742327988147736
+Oc1ccc(c(c1)C)C,0.13205064833164215
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8504207730293274
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9507099390029907
+Cc1ccc(cc1)Cl,0.2018241137266159
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.23508600890636444
+O=C1C=CC(=O)N1,0.21605797111988068
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.5800720453262329
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.3500410318374634
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.0933627337217331
+CC(C(=O)NCc1ccccc1)Br,0.4660421311855316
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.5785248875617981
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9507686495780945
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3010970950126648
+N[C@H](C(=O)NCC(=O)O)CS,0.3680488169193268
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.47437843680381775
+C[C@H](C(=O)NCC(=O)O)S,0.2265869677066803
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9193747639656067
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.4073331952095032
+ClCC(=O)Nc1snc2c1cccc2,0.7155534625053406
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.983195960521698
+CC(C(O)C)O,0.1341962367296219
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.22434373199939728
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.6074331998825073
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.04428696632385254
+ClCCNc1ccc(cc1)C,0.7360550761222839
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.03274819999933243
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.5371812582015991
+CNP(=O)(N(C)C)N(C)C,0.2614075839519501
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.057831693440675735
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.19824174046516418
+CC[C@@H](CN)O,0.2972099184989929
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.7333966493606567
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.07349775731563568
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.21765875816345215
+Brc1ccccc1,0.28909581899642944
+O(Cc1ccccc1)Cc1ccccc1,0.21602971851825714
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.3015328347682953
+OCC#CCO,0.20193104445934296
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.768513560295105
+O=C=Nc1cccc(c1C)N=C=O,0.5065698027610779
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.8273643255233765
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.25720882415771484
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9526020288467407
+OC(=O)CS,0.14202049374580383
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4531265199184418
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.8610663414001465
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.8343449831008911
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.030997926369309425
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.8066366314888
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.08402294665575027
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7665934562683105
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.2284383773803711
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7690606117248535
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.71330726146698
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.7998279929161072
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.14138492941856384
+C=CCOC(=O)COCCC(C)C,0.20205903053283691
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.7922461628913879
+CSC(/C=N\O)(C)C,0.44613581895828247
+ClC/C=C/Cl,0.7209635972976685
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7448877692222595
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7509089112281799
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.0968485102057457
+FC(C(C(F)(F)F)F)F,0.2528412938117981
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.6489712595939636
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.45188117027282715
+Clc1ccc(c(c1)O)Cl,0.13695839047431946
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.26729899644851685
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.6790672540664673
+CCCCN(CCC(=O)C)N=O,0.6854883432388306
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.0753697082400322
+O=C1C=CC(=O)C=C1c1ccccc1,0.4311157763004303
+Clc1ccc(cc1N)C(F)(F)F,0.3300325572490692
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8725849390029907
+CCOP(=O)(N(C)C)C#N,0.330151230096817
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9699615240097046
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.14066441357135773
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.6689358949661255
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.5249301195144653
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8688443899154663
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.08457927405834198
+O=NN1CSCC1C(=O)O,0.6082442998886108
+COP(=O)(OC)OC,0.2799376845359802
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.8361808061599731
+CC(CO)Cl,0.5316745638847351
+C[n+]1c2ccccc2cc2c1cccc2,0.8170896768569946
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.826346755027771
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.7759379744529724
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5447767376899719
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.8645720481872559
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.19671615958213806
+CC(N=C=NC(C)C)C,0.2029024064540863
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.6897481679916382
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8616730570793152
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.8049553632736206
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.9262984991073608
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.4034866392612457
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.5689521431922913
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.044747237116098404
+Clc1cncc(c1)Cl,0.09826893359422684
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.8740764856338501
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.4388827681541443
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.7740511894226074
+CCCCCCCC(=O)Cl,0.11175646632909775
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.07645346224308014
+Cc1nc(N)nc(n1)N,0.2202729880809784
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.6939773559570312
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.5319852828979492
+NC(=O)OC1CO1,0.781851589679718
+Cc1ccc(c(c1)C)C,0.08963662385940552
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.5190808176994324
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.989467978477478
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.7982633709907532
+O=C1C=CC(=O)C=C1,0.3481106758117676
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8444561958312988
+Cc1ccc(cc1)[C@H]1OC1,0.6516567468643188
+ClC(=C1C=CC(=O)O1)Cl,0.352645605802536
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8753421902656555
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.13871259987354279
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.23390229046344757
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.5864015817642212
+CC(=O)c1ccccn1,0.18213200569152832
+S=C(NC1CCCCC1)NC1CCCCC1,0.17736268043518066
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.23887348175048828
+NNCCO,0.5363785624504089
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9108881950378418
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.7445061206817627
+CCCN(C(=O)SCc1ccccc1)CCC,0.24951109290122986
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.3369991183280945
+Cc1cnc2c(n1)cccc2,0.43838030099868774
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.16329249739646912
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.18372812867164612
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3900455832481384
+Nc1sc2c(n1)C1CCCNC1CC2,0.4803818166255951
+ONc1ccc2-c3c(Cc2c1)cccc3,0.761723518371582
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9588636159896851
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.10439987480640411
+Nc1ccc(c(c1)N)Cl,0.5300651788711548
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.031595710664987564
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.5615634918212891
+N#CC1=C(SCCS1)C#N,0.12258569151163101
+C[C@H](CCC(=O)c1cocc1)O,0.12793609499931335
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.818787693977356
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.338610976934433
+CC[C@H]([C@@H](CO)C)C,0.06736885011196136
+Fc1cc2cccnc2c2c1cccc2,0.5901006460189819
+Oc1ccc(cc1)c1ccc(cc1)O,0.2649798095226288
+FC(COc1nc(N)nc(n1)N)(F)F,0.1976272314786911
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9117571115493774
+O1Cc2c(C1)cccc2,0.24995949864387512
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.43646979331970215
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.22619645297527313
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.08832044154405594
+CCON(C(=O)c1ccccc1)OC(=O)C,0.4177514910697937
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09235158562660217
+c1coc(c1)c1nc2c([nH]1)cccc2,0.30822163820266724
+Nc1ccccc1C(F)(F)F,0.2860279679298401
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.09393538534641266
+OC(=O)c1occc(=O)c1O,0.19362762570381165
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.2873862385749817
+Cc1cc(N)c(cc1C)C,0.4008994996547699
+O=Nc1cccc(c1)C,0.7361586093902588
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.7135236859321594
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.6073633432388306
+CC(=O)Nc1cnc2c(c1)cccc2,0.38193339109420776
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9680889248847961
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9606146812438965
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.8678863644599915
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9512984156608582
+C1CN2CCN1CC2,0.2388094961643219
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.16482475399971008
+FC(C(Cl)(F)F)(Cl)F,0.031987834721803665
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.13196370005607605
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3065405786037445
+CNc1ccc2c(c1C)nc(cn2)C,0.6321062445640564
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.3620642423629761
+CCCCCCCCCCCCCCCCCCCC,0.10218173265457153
+CC1c2ccccc2-c2c1cccc2,0.24865059554576874
+CCCOc1ccc(cc1N)N,0.6616629362106323
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5895245671272278
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.7417646646499634
+COc1cc(ccc1O)C[C@H]1CO1,0.6007723808288574
+N1CCc2c(C1)cccc2,0.28907209634780884
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.5062465667724609
+CNCCO,0.1677256077528
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.21636752784252167
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9450173377990723
+Clc1ccc(c(c1)N)Cl,0.5235592722892761
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.4194321036338806
+BrCc1cccc(c1)[N+](=O)[O-],0.9023221731185913
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.19037649035453796
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.40001240372657776
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.1405034363269806
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.1336735039949417
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.45949897170066833
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.708271861076355
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.4759278893470764
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.23592627048492432
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.3684304654598236
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.8882635235786438
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.1665184050798416
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.08687873184680939
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.6125679016113281
+ClC[Si](C=C)(C)C,0.354457288980484
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.25782909989356995
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.2870464324951172
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.10895856469869614
+CCNN=NCC,0.744477391242981
+O=C1N(C)CCCN1C,0.2325574904680252
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2588920593261719
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.7483320832252502
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.5975242257118225
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.18636488914489746
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.1980016678571701
+[O-][N+](=O)NC,0.8755383491516113
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.11958994716405869
+O=NN1CCO[C@H](C1)O,0.6690011620521545
+CCCCCCCCCCCCS,0.06935850530862808
+ONc1ccc(cc1)N=Nc1ccccc1,0.7767268419265747
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.630904495716095
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.15867024660110474
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8657083511352539
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.5885469317436218
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2880834937095642
+CCN,0.27328789234161377
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.6114450693130493
+OCCNC(=O)N(CCCl)N=O,0.9024437665939331
+CCOP(=S)(SCSC(C)(C)C)OCC,0.24437983334064484
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.9319297671318054
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.7455351948738098
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.3666917383670807
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.3314816951751709
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8245332837104797
+CCCc1cc(O)nc(n1)S,0.03698291629552841
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.8116741180419922
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.7460864186286926
+N#Cc1cccc(c1)C,0.2925838828086853
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.8498590588569641
+FC(C(F)(F)F)C(F)(F)F,0.16505643725395203
+CC(=O)N,0.31507188081741333
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.10691095888614655
+[O-][N+](=O)c1c(C)cccc1C,0.6573038697242737
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.11610092967748642
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.6774739027023315
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.1795555055141449
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.3474539816379547
+OCCCNC(=O)C(C(CO)(C)C)O,0.15943196415901184
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.7037360668182373
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.09467366337776184
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9028096199035645
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8476077914237976
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.35524097084999084
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.6702595949172974
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.49844732880592346
+OCCI,0.7099512815475464
+Nc1ccc2c(c1)c(Cl)ns2,0.6836126446723938
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8688233494758606
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.20538067817687988
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.3714725077152252
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.875653862953186
+Nc1ccc(c(c1)N)O,0.48798245191574097
+C/C(=N\O)/C(=O)C,0.46621665358543396
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.5008438229560852
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.17601153254508972
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.6816614866256714
+OC(C(=O)O)Cn1cncn1,0.11470530927181244
+CCOC(=O)N,0.4823490083217621
+NCCCCCCN,0.48091769218444824
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.4206048548221588
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.17875945568084717
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.06514550745487213
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.10220034420490265
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.17779701948165894
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.33136823773384094
+OCc1ccccc1,0.2430766075849533
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.2480376958847046
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.6537920236587524
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8358677625656128
+CCCCCCCCCCCCCCCCN,0.21301618218421936
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.09722937643527985
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7673255801200867
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.7926445007324219
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.19218099117279053
+O=C(c1ccccc1)c1ccccc1,0.3173005282878876
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.13871259987354279
+NS(=O)(=O)c1ncn[nH]1,0.24396789073944092
+OCCP(=O)(O)O,0.06855130195617676
+C[N+]1(C)CCOCC1.Cl,0.06860308349132538
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.11511673033237457
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7060546278953552
+[O-][N+](=O)NC(=N)NC,0.5111649632453918
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.7386995553970337
+O=Nc1ccc2c(c1)cccc2,0.8425518274307251
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9315797686576843
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.19999273121356964
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.8206260800361633
+ClC[C@@H](CBr)Br,0.6738717555999756
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.12162359058856964
+ONc1cccc(c1)c1ccccc1,0.6179541349411011
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6107529401779175
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9114387631416321
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.701180636882782
+C1CCC2(CC1)CO2,0.3131023943424225
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.6787794232368469
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9579488635063171
+C=CC(=C)C,0.15189281105995178
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9263874888420105
+Cn1c(N)nc2c1c1cccnc1cc2,0.7935150861740112
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.3515279293060303
+Fc1ccccn1,0.07689441740512848
+C=CN1CCCC1=O,0.28331202268600464
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9390507936477661
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.97123783826828
+CC(CCON=O)C,0.48329678177833557
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.09894107282161713
+OC(=O)c1sccc1S(=O)(=O)N,0.21672816574573517
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7026006579399109
+O=C1C=C(O)c2c(C1=O)cccc2,0.314674973487854
+NNc1ccccc1,0.7867742776870728
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.9398864507675171
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.10191216319799423
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.39429759979248047
+Clc1cccc2c1cccc2,0.43568888306617737
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.5413661599159241
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.5956429243087769
+C=CC(=O)NCCCN(C)C,0.1795194000005722
+O=Cc1ccccc1C,0.2883932888507843
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.07556438446044922
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.39470022916793823
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.943558394908905
+COc1cc(OC)[nH]c(=O)n1,0.3175903856754303
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7180253267288208
+COc1cccc(c1)[N+](=O)[O-],0.7016431093215942
+CCCCc1c(=O)nc([nH]c1C)NCC,0.12754622101783752
+ONc1[nH]cnc2-c1ncn2,0.2051708996295929
+Oc1ccc(cc1)c1ccccc1,0.26347270607948303
+C/C=C/c1ccc(cc1OC)OC,0.4822874665260315
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.2796085476875305
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.39060497283935547
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.9177289009094238
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.7973997592926025
+CSCCl,0.6308856010437012
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.879680335521698
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.5208210945129395
+COC(=O)C1=CCCN(C1)C,0.23283600807189941
+COC(=O)C(=C)C#N,0.25670018792152405
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.8637530207633972
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.0805472731590271
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9592083096504211
+NC(C(S)(C)C)C(=O)O,0.06623723357915878
+CC(N)(C)C,0.17654724419116974
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.767799973487854
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.7050489187240601
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.734163224697113
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.24033446609973907
+OCCNC(=O)C(O)C,0.2279353141784668
+OCc1ccc(cc1)OC,0.20204465091228485
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.06911192834377289
+CC1(OC1)c1ccc(cc1)Br,0.5848782062530518
+OCCN(CC)CC,0.18346214294433594
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.17723491787910461
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9481314420700073
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.49116429686546326
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.0705176591873169
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.45421117544174194
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.8258429765701294
+CCCC/C=C/C=O,0.3216215968132019
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.22463932633399963
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.6333621740341187
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9598867297172546
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.362151563167572
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.13137851655483246
+Cc1ccc(c(c1)C)N,0.49893420934677124
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.34711262583732605
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6514309644699097
+C1O[C@H]1C=O,0.9020942449569702
+C[N+](CC1OC1)(C)C,0.4421873092651367
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.2506555914878845
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.3963400721549988
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.4464775621891022
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.14479103684425354
+CCOc1ccc(cc1)N=O,0.7546834349632263
+CC(=O)C=C,0.2697884142398834
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.4728866219520569
+C1C2SCC=CN2C1=O,0.285112202167511
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.7563657164573669
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.5289250612258911
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.6123810410499573
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.5949877500534058
+OC[C@H](O)C,0.19582198560237885
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.6943257451057434
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.27769291400909424
+N#CC(=C(C#N)C#N)C#N,0.32611948251724243
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.2177550345659256
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.25004905462265015
+NCCNCCNCCNCCNCCN,0.6221233010292053
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.5548485517501831
+OC(=O)C=C,0.14537645876407623
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.9222577810287476
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.8812198638916016
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9501689076423645
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9364048838615417
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.4769415855407715
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.40463986992836
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.578211784362793
+CCCCOCCOCCO,0.23673498630523682
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.36971646547317505
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.1290958970785141
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.2881539762020111
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.23589861392974854
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.17261728644371033
+[O-][N+](=O)c1cccc2c1snc2,0.7002384066581726
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.7910834550857544
+C1CCCN1,0.23310056328773499
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.8975714445114136
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8185993432998657
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8275872468948364
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.5522058010101318
+COc1cc(O)nc(n1)NC(=O)N,0.22671326994895935
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.8368561863899231
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8109493255615234
+Fc1cc(F)c2c(c1)nccc2,0.2680211663246155
+CCCCN(CC)CC,0.17312857508659363
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.4210382401943207
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9378926157951355
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.39798498153686523
+ONc1ccc(cc1)Sc1ccccc1,0.5143204927444458
+OC[C@H]1CO1,0.6841950416564941
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7474899291992188
+ClC(C(C(F)(F)F)(F)F)Cl,0.34620675444602966
+O=NN(CC(=O)C)C,0.8438107371330261
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.33980411291122437
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.29903846979141235
+S=C=NCCc1ccccc1,0.4028136134147644
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.8452808260917664
+CCOc1nc(N)nc(n1)N,0.20030240714550018
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9438794851303101
+Cc1nccnc1C,0.12455640733242035
+CS(=O)(=O)C,0.13098207116127014
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.10919554531574249
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.3036695122718811
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.7551528215408325
+Nc1ccc2c(c1)cccn2,0.6209994554519653
+CC1OC(C)OC(OC(O1)C)C,0.08724451065063477
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.031262703239917755
+Nn1c2ccncc2c2c1cccc2,0.9065378308296204
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.35255032777786255
+COC(CC(=O)C)(C)C,0.12283387035131454
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.516037106513977
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.2578386664390564
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.8887010812759399
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.18504361808300018
+N#C/C(=C(/C#N)\N)/N,0.758522093296051
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.6665728688240051
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.2507200837135315
+ONc1ccc(cc1)Cl,0.4936861991882324
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.40588632225990295
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.049243584275245667
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.8034486770629883
+ONC(=O)c1ccc2c(c1)cccc2,0.666587233543396
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.08994124829769135
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.6150825023651123
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.825218677520752
+CCCCCCCCC(=O)OCC=C,0.12699778378009796
+Fc1ccc(c2c1ccc1c2cccn1)F,0.512533962726593
+O1C[C@@H]1[C@@H]1OC1,0.8339365124702454
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.08464840799570084
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.6828754544258118
+NN(c1ccccc1)c1ccccc1,0.7131258249282837
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.6972536444664001
+Cc1cc(C)c(c(c1)C)N,0.47183722257614136
+CC(=C)C(=O)OCCO,0.3557204604148865
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.03511057794094086
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.44566550850868225
+CCCCCCCCCCCCCCCCCC(=O)O,0.027142057195305824
+CCCC(=O)OC1CCCCC1,0.1342066079378128
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.3666917383670807
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8802217245101929
+COc1cc(N)ccc1N,0.7237589359283447
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.07711704820394516
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.6513633131980896
+N#Cc1ccc(cc1)C(=O)O,0.12995126843452454
+CC1=CC[C@H](CC1)C(=C)C,0.022983849048614502
+COC(=O)CCl,0.7745608687400818
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.2979629933834076
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.5114055871963501
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4131218492984772
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.2913152575492859
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9532440304756165
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.8349488973617554
+ClCc1ccc(cc1)OC(=O)C,0.3217751383781433
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.4411409795284271
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.17368650436401367
+Nc1ccccc1c1ccccc1.Cl,0.6000584363937378
+CC(C(=O)NCc1ccccc1)Cl,0.42382508516311646
+ClCC(F)(F)F,0.21251550316810608
+CCCCCC[N+](=O)[O-],0.3923952877521515
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.7392677664756775
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5098570585250854
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.8262468576431274
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.19302840530872345
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.7276715040206909
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.7973522543907166
+CC(C(=O)O)N,0.21841156482696533
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.2804119884967804
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.2767980992794037
+BrCC=C,0.5459001660346985
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.5179648399353027
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.08087638765573502
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9059084057807922
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.9570392370223999
+Oc1cnc2c(c1)cccc2,0.3142628073692322
+CCCCOS(=O)(=O)C,0.1574552357196808
+Sc1ncnc2c1[nH]cn2.O,0.21728134155273438
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.17656877636909485
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.38976097106933594
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.1145126223564148
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.3332307040691376
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.8841102719306946
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.6805075407028198
+C=C[C@H]1CCC=CC1,0.04574207216501236
+O=Cc1ccc(cc1)[N+](=O)[O-],0.8599832653999329
+COC(=O)CCCC(=O)OC,0.2476055920124054
+CCc1ccc(nc1)C,0.13026782870292664
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.736351490020752
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.4466502070426941
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.08719300478696823
+O/N=C/C1N(CCN(C)C)C=CN1C,0.8179763555526733
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.09658733010292053
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.6980069279670715
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.250234454870224
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.38442596793174744
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.3953520357608795
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.9133038520812988
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.08887173235416412
+Sc1ccc(cc1)[N+](=O)[O-],0.6288933753967285
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.6948522925376892
+CC(=C)C,0.0503200888633728
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6529334187507629
+Nc1ccc(cc1Cl)C(F)(F)F,0.3728163242340088
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.03429907560348511
+S(Cc1ccccc1)SCc1ccccc1,0.22770671546459198
+OCC(COP(=O)(O)O)O,0.16491642594337463
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.09989352524280548
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.5675851702690125
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.18276429176330566
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.2139001190662384
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7247976064682007
+O=C(C1(C)OC1)Nc1ccccc1,0.5622059106826782
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7091307044029236
+c1ccc2-c3c(Cc2c1)cccc3,0.3443991541862488
+C[C@]1(OC1)c1ccccc1,0.3883720636367798
+OC(=O)C[C@H](C(=O)O)O,0.1324804425239563
+O=C([C@]1(C)OC1)NCc1ccccc1,0.48594942688941956
+CCCCOC(=O)c1cccc2c1nccc2,0.3733521103858948
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9469138979911804
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8693828582763672
+O=NN(c1ccccc1)c1ccccc1,0.6246582865715027
+CN(Cc1ccccc1)C,0.13140587508678436
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9657852053642273
+O=NN1CCOC(C1)O,0.6690011620521545
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.12907394766807556
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.06798113882541656
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.04301240295171738
+O=Cc1ccc(cc1)C,0.39497512578964233
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.16192765533924103
+CCCCN(/C(=N/O)/C=O)N=O,0.7579139471054077
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.8216239809989929
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.4783225655555725
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.6680363416671753
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.4283340573310852
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.23755617439746857
+CCSCCSP(=S)(OC)OC,0.36886507272720337
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.1916562020778656
+C1CCCCC1,0.028545502573251724
+O=Cc1ccc2c(c1)OCO2,0.5322388410568237
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.5131197571754456
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.03933907300233841
+COc1nsc2c1cccc2N,0.7474598288536072
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.09410936385393143
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8347164988517761
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9542897939682007
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.4880337715148926
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.09373166412115097
+NC(=O)c1ccccc1C,0.3335851728916168
+OCC(=O)Nc1c(CC)cccc1CC,0.13391706347465515
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7558776140213013
+C=CC(=O)c1ccc2c(c1)OCO2,0.496196448802948
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.3689189553260803
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.5831896066665649
+Fc1ccc2c(n1)cccc2,0.25830987095832825
+CC/C=C\C#N,0.4167940616607666
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.15983866155147552
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.3216518759727478
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.3938075602054596
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.4633544981479645
+Clc1cc(Cl)nc(n1)Cl,0.040160030126571655
+ClC1CCN(CC1)N=O,0.8874273300170898
+CCCOO,0.3207157552242279
+OCC(C(c1ccccc1)N=N#N)O,0.5490630269050598
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.534135639667511
+CCc1ccccc1O,0.11102704703807831
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.09678034484386444
+O=NN1CCCCCC1,0.5678967833518982
+CCOC(=O)OCC,0.21475665271282196
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.08214441686868668
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9233145713806152
+Nc1ccc(cc1)CCc1ccccc1,0.4131937623023987
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6470509767532349
+Cl/C=C(\C(Cl)Cl)/Cl,0.6524028778076172
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.10872103273868561
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.10996744781732559
+c1ccc(cc1)c1nc2c(o1)cccc2,0.2501348555088043
+CCCBr,0.43038415908813477
+CCCCNCCCC,0.21380385756492615
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.5353123545646667
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.03840486332774162
+BrCC(C)(C)C,0.2343958169221878
+ONc1ccccc1C,0.42012444138526917
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.1928931623697281
+OCc1ccc(o1)C=O,0.3310820460319519
+CNC(=S)N(C)C,0.4073300361633301
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.8807406425476074
+NC(=S)NCC=C,0.632309079170227
+Cn1c(N)nc2c1cc1cnccc1n2,0.7593509554862976
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.054776787757873535
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.2743605077266693
+CC(Cc1ccccc1)N,0.21047770977020264
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.5612169504165649
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.8644803762435913
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.957197368144989
+CCC(=O)C,0.14487595856189728
+ClCc1ccc(cc1)C#N,0.7630504965782166
+Clc1cccc(c1)C(=O)O,0.10286078602075577
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.5505009293556213
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.5230108499526978
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.39194536209106445
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.17972584068775177
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6747130155563354
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.11461319774389267
+CC(=O)N(c1snc2c1cccc2)C,0.4945370554924011
+Clc1c2ccccc2cc2c1cccc2,0.5851644277572632
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.013544711284339428
+O[C@@H](c1ccccc1)[C@H](N)C,0.22013750672340393
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.8975492715835571
+OC1CC[N+](CC1)(C)C.[Cl-],0.025342857465147972
+Cc1cc(nc(n1)O)C1CC1,0.19080427289009094
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.5523267984390259
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.8777432441711426
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.5098662376403809
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.3953363299369812
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.4211357533931732
+CNC1Cc2cccc3c2c(C1)ccc3,0.4015178680419922
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.2582213878631592
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.8605363965034485
+COc1ccc(cc1N)NOS(=O)(=O)O,0.3637843728065491
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.5831896066665649
+Oc1ccc(nn1)O,0.2520237863063812
+Nc1ccc(c(c1)C)N,0.5434280633926392
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.12998735904693604
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8637087941169739
+CCCCCC(=O)OCC=C,0.1519509106874466
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.07206182926893234
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.578211784362793
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.40149372816085815
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9627167582511902
+CC(C(CBr)Br)Cl,0.5920320749282837
+Brc1cc2cccnc2c(c1)C(=O)O,0.21188612282276154
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.6838288307189941
+CCS(=O)CCSP(=O)(OC)OC,0.4836195409297943
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9913454055786133
+CN(N=O)C[C@@H](CO)O,0.5851446986198425
+ON1CN(Cl)CN(C1)Cl.[K+],0.3372190594673157
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.08113505691289902
+C=CC(=O)OCCOCCOC(=O)C=C,0.35562312602996826
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9313076138496399
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9552348256111145
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9411454200744629
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.17910495400428772
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9000320434570312
+CCc1ccnc2c1cccc2,0.35886305570602417
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.06961727887392044
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.14509639143943787
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.21291258931159973
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.06720751523971558
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.4446888864040375
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.34165650606155396
+CC(=O)/C=C/c1ccccc1,0.2653236985206604
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7520199418067932
+ClCc1ccc(cc1)[N+](=O)[O-],0.9110409617424011
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.5509346723556519
+C[C@H](CN(C[C@H](O)C)N=O)O,0.5072544813156128
+CCCCCON=O,0.6461368799209595
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.6584324240684509
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.731468677520752
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7645119428634644
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.08648522198200226
+Cc1ccc(c(c1)N)O,0.4446329176425934
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.34396618604660034
+COC(=O)c1ccccc1CS(=O)(=O)N,0.28830546140670776
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8643282651901245
+Oc1ccc2c(c1)cccn2,0.3175659775733948
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.3372405469417572
+CNN=NC,0.6715309619903564
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8038809895515442
+CCCC[C@H](COC(=O)C=C)CC,0.08388705551624298
+Cc1cccc2c1cccc2,0.49675559997558594
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.921148419380188
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.5259758234024048
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.903154194355011
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.19894257187843323
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9408323168754578
+Clc1ccncc1,0.09176941215991974
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.05236708000302315
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.37756025791168213
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.5444356203079224
+[O-][N+](=O)OOC(=O)C,0.8126626014709473
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.5078129768371582
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.5867355465888977
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.534623384475708
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8222564458847046
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.4336166977882385
+CSC(/C=N/O)(C)C,0.49125227332115173
+CNc1ccc2c(c1N)nc(cn2)C,0.8578557968139648
+CCOC(=O)NNc1nncc2c1cccc2,0.47516217827796936
+O=c1c2ccccc2[nH]c2c1cccc2,0.6550739407539368
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.44224292039871216
+O=Nc1c(CC)cccc1CC,0.4482986330986023
+COC(C(Cl)Cl)(F)F,0.4450865685939789
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.7622566223144531
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.7725709676742554
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.3301047384738922
+Br[C@@H](C=O)CBr,0.8763014078140259
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.08137933164834976
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.6493356823921204
+CSCNc1ccccc1OC,0.4677491784095764
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.8878297805786133
+CC(N)C,0.18796208500862122
+Cc1cnc(c(n1)C)C,0.13284897804260254
+CCCCCCN(C(=O)N)N=O,0.6824564337730408
+COc1cc(N)c(cc1N)C,0.6396064758300781
+CCCN(C(=O)SCC)CCC,0.3741373121738434
+COc1cc(/C=C/C(=O)O)ccc1O,0.18851223587989807
+CS(=O)C,0.3008851408958435
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.047053612768650055
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.18531227111816406
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.19490297138690948
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8412504196166992
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.5989702939987183
+Cc1cc(C)c(cc1C)C,0.05344969034194946
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.09711045026779175
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.3799136281013489
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.5614811182022095
+CCOC(=O)OC(=O)OCC,0.24502666294574738
+C/C=C/Cl,0.61774742603302
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.10718457400798798
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.30900320410728455
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.02807719074189663
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.9023725390434265
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.12355518341064453
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.7134842276573181
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.22591666877269745
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.05107535049319267
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.46273690462112427
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.6596425771713257
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.33133918046951294
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.3086879551410675
+CN(C1CCCCC1)C,0.07968249171972275
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.24644219875335693
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.14253446459770203
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.7025216221809387
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9173914790153503
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9575233459472656
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.390158474445343
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.833660900592804
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9088190793991089
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.5168843269348145
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.19097763299942017
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.8132564425468445
+Clc1ccc(cc1)CC1OC1,0.581835150718689
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.17127983272075653
+Cn1c(N)nc2c1cc1ccccc1c2,0.8837488293647766
+Nc1ccc(cc1)c1ccc(cc1)N,0.5774934887886047
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.5261596441268921
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.5553470253944397
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.09323254972696304
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8070998191833496
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.22027936577796936
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6162222027778625
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.4919482171535492
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.7667192220687866
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.47657328844070435
+CCCC(=O)O,0.05371017009019852
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.7188953161239624
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.10681813955307007
+Nc1nc2c([nH]1)cccc2,0.36691293120384216
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.714978814125061
+OC(=O)C(Cl)(Cl)C,0.13095910847187042
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9155982136726379
+N#C[Se]Cc1ccccc1,0.3689650595188141
+C[N+]1(C)CCCCC1.[Cl-],0.00929304026067257
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8174270391464233
+CC(=O)C(=C)C,0.21272699534893036
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.47950315475463867
+c1ccc2c(n1)c1ncccc1cc2,0.7335169315338135
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.17025068402290344
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.6274539232254028
+O=CN(N=O)C,0.9393666386604309
+NCCCCCCCCCCC(=O)O,0.12337253987789154
+CCCCBr,0.3978789448738098
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5452213287353516
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.33136823773384094
+Oc1ccc(cc1O)C(C)(C)C,0.13675688207149506
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.3172213137149811
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.6732975244522095
+COc1cc(OC)nc(n1)N,0.11861059814691544
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.09722937643527985
+OC(=O)c1cccc2c1nccc2,0.1001029834151268
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.9078752398490906
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.3172213137149811
+CCOC(=O)c1ccccc1C(=O)OCC,0.14952190220355988
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.39478281140327454
+Nc1ccc(c2c1cccc2)N,0.8345080614089966
+Fc1cnc2c(c1)ccc1c2cccc1,0.6606758832931519
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.10718457400798798
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.19097763299942017
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.1838490068912506
+ClCc1ccc(cc1)Cl,0.6111220121383667
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5130780339241028
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.4719478189945221
+CC(=C)OC(=O)C,0.13063029944896698
+Oc1ccc(cc1N)S(=O)(=O)O,0.31628546118736267
+OC1CCN(CC1)N=O,0.5573148727416992
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6668701767921448
+NCCCN(C)C,0.37666699290275574
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9149869680404663
+CCCCN(N=O)CCCC,0.49720463156700134
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.5281335115432739
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.10061214119195938
+N[C@@H]1C[C@H]1c1ccccc1,0.4590350091457367
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.18834224343299866
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.7545639276504517
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.5026220083236694
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.14424046874046326
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.7192619442939758
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9240041971206665
+[N-]=[N+]=CC(=O)NCC(=O)N,0.8698285222053528
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.2796246111392975
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.283113569021225
+CC1(C)C2CCC3(C1C2)CO3,0.2544476389884949
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.06363405287265778
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.09844214469194412
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.23242464661598206
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.28725284337997437
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.5151382684707642
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.7228597402572632
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.37359681725502014
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.7592951655387878
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.6157243847846985
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.2198125422000885
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.5716733932495117
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5357789993286133
+OC(=O)c1cnccc1C(F)(F)F,0.030511880293488503
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8321352005004883
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.5882502794265747
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.4146242141723633
+Oc1ccc(c(c1)C)Cl,0.24015359580516815
+ClCc1c2ccccc2c(c2c1cccc2)C,0.8475802540779114
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.5314172506332397
+C=C[C@H]1CO1,0.8290139436721802
+O=C=Nc1ccc(c(c1)N=C=O)C,0.6873602271080017
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.3879854679107666
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.3928960859775543
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8537783622741699
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.7608029246330261
+CCCCOCC(=O)O,0.13736914098262787
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.20578332245349884
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.7338684797286987
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9764043688774109
+CCCCCCCCCCSCn1cc[n+](c1)C,0.2870464324951172
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.13317684829235077
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.5962254405021667
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.05597573518753052
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.1388542354106903
+Nc1cc(nn1C)C1CC1,0.6370711326599121
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.22255344688892365
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.504266619682312
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.1084304228425026
+O=c1ccc2c(o1)c1ccoc1cc2,0.7342599630355835
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.05276300758123398
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.28755518794059753
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.3395540416240692
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.18642999231815338
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5341273546218872
+NC(=O)N(c1ccccc1)c1ccccc1,0.46008676290512085
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.8138402700424194
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8605672121047974
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.38203370571136475
+c1ccc2c(n1)cnnc2,0.6522530913352966
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9743744730949402
+Nc1nc(nc(n1)O)NC(C)(C)C,0.14011713862419128
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8887349367141724
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.04717106372117996
+Nc1ccc(cc1)F,0.3753291070461273
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.40768852829933167
+BrCc1ccccc1,0.6620866060256958
+Nc1cccc2c1nccc2,0.7400592565536499
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5066307783126831
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6195744276046753
+Cn1cccc1,0.5678847432136536
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.5956303477287292
+Cl/C=C(/C(Cl)Cl)\Cl,0.7357081770896912
+Fc1ccc2c(c1F)cccn2,0.34722113609313965
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.2567416727542877
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.09251288324594498
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.07053123414516449
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.09313829243183136
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.13720068335533142
+CCCCN=NC(OO)(C)C,0.7012364864349365
+CCOC(=O)N(C)C,0.662007212638855
+CC1=CCC(CC1)C(O)(C)C,0.06454440206289291
+CCOC(=O)[C@H](Br)C,0.7020541429519653
+Fc1ccc2c(c1F)nccc2,0.30494850873947144
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.05328189581632614
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.8110971450805664
+CCNc1nc(NC(C)C)nc(n1)O,0.07040126621723175
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.06452865898609161
+Cc1ccccc1N.Cl,0.5616537928581238
+NC(=O)CI,0.8192310333251953
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.4912109375
+CCCCOCCO,0.24178139865398407
+CCCCN(CCCO)N=O,0.6963554620742798
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.11770941317081451
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.5365092158317566
+Nc1sc2c(n1)cc(c(c2)C)C,0.7503706216812134
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.34615078568458557
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.6685503721237183
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.6339706182479858
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.9216252565383911
+CCO[P@@](=O)(N(C)C)C#N,0.3561475872993469
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9435130953788757
+Nc1cccc(c1)O,0.2654898762702942
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9682362675666809
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.11330755800008774
+CC(OP(=O)(F)C)C,0.07538681477308273
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.14361755549907684
+O=CN(c1ccccc1)O,0.6834276914596558
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.37565961480140686
+NC(C(=O)O)CSCCCl,0.6807631254196167
+Oc1ccc2c(c1)OCO2,0.23671670258045197
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.13446906208992004
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9077580571174622
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.14703524112701416
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.17101801931858063
+C[C@@H]1CC[C@H](CC1)C(C)C,0.05071692913770676
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.26893186569213867
+ClC[C@H]1CO1,0.9639598727226257
+C1CCc2c(C1)cccc2,0.26986607909202576
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8742650151252747
+Oc1ccc2c(n1)cccc2,0.3078739643096924
+CCc1ccccc1,0.15147633850574493
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.27102604508399963
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.33624014258384705
+Fc1cnc2c(c1)c1ncccc1cc2,0.5994993448257446
+Cc1cc(C)c2c(c1N)nsn2,0.7642019391059875
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.37016329169273376
+c1cc2cccc3c2c(c1)CC3,0.4700040817260742
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.18751096725463867
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.08509852737188339
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6097057461738586
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.46954745054244995
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.22944855690002441
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.6885238885879517
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7531368732452393
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.6623061895370483
+ClC([C@H]1OC1)(Cl)Cl,0.7952041625976562
+ONc1cc(ccc1C)[N+](=O)[O-],0.8886513710021973
+CC(=C)C1CCC2(C(C1)O2)C,0.18219394981861115
+OCCN=N#N,0.7819528579711914
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.8397756814956665
+COC(=O)CC(=O)C,0.2336619347333908
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.7153314352035522
+NNS(=O)(=O)c1ccc(cc1)C,0.7276320457458496
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.89886873960495
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.9190080761909485
+CCOC(=O)C=C,0.365989089012146
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.4327477514743805
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8927388191223145
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.17793023586273193
+[O-][n+]1ncc2c(c1)cccc2,0.6559554934501648
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.917263388633728
+ClCC(CBr)(Br)C,0.5880040526390076
+CCCCCNc1snc2c1cccc2,0.504489541053772
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.23545420169830322
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.788152813911438
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.7895444631576538
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8215053677558899
+CC/C=C/C=C/C=C/C=C/C=O,0.6031509637832642
+Clc1cccc2c1nccc2,0.322733610868454
+CCCCCCCCCc1ccc(cc1)O,0.08013001084327698
+Cc1ccccc1O,0.27017733454704285
+CNc1nc(C)c(c(n1)O)C,0.09123663604259491
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.885127067565918
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.13412413001060486
+O=Nc1c(O)ccc2c1cccc2,0.7662526369094849
+Oc1ccc(c(c1)Cl)Cl,0.2257586270570755
+CNC(=O)Nc1ccc(cc1)Br,0.4578847289085388
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9800931215286255
+O=c1c2cccc3c2c2c1cccc2cc3,0.7652262449264526
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6740934252738953
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.1648394912481308
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9504426121711731
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.42040500044822693
+Oc1cc(O)cc(c1)O.O.O,0.2141176462173462
+NC(=S)Nc1ccccc1,0.5688462257385254
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.7963923215866089
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.17397098243236542
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.36783021688461304
+O=C(n1cncc1)n1cncc1,0.40347951650619507
+O=NN(Cc1ccc(cc1)C)C,0.8530109524726868
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.12308619171380997
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.3263700008392334
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.5399675369262695
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.649265468120575
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.504331111907959
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.9156926274299622
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.36172014474868774
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.7290223836898804
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8813053965568542
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.19662417471408844
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9653207659721375
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8742650151252747
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.11077145487070084
+Nc1cccc2c1cccc2,0.7871695756912231
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9607011675834656
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.30607977509498596
+CNCCCN1c2ccccc2CCc2c1cccc2,0.6802352666854858
+[O-][N+](=O)NC(=N)NC,0.5336692929267883
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.23889584839344025
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.6026893258094788
+O=NN(Cc1ccc(cc1)Br)C,0.91703861951828
+ClCCNC(=O)N(CCCl)N=O,0.9786281585693359
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.04425394535064697
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.2430507242679596
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.40197157859802246
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.10631746053695679
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9073597192764282
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.2769051194190979
+[O-][N+](=O)CCC(=O)O,0.449786514043808
+NN1C(=O)c2c(C1=O)cccc2,0.7267811298370361
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.7195667028427124
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.5597493648529053
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.49017852544784546
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.5984602570533752
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.5822110772132874
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.8472667932510376
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8645830154418945
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.8773249387741089
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.12250427901744843
+ONS(=O)(=O)c1cccc2c1nccc2,0.37771785259246826
+O=NN(C(=O)N)C[Si](C)(C)C,0.768147349357605
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.8061246871948242
+Cc1cc2ncccc2c2c1n(C)cn2,0.8576090931892395
+C=C1CC(=O)O1,0.15883368253707886
+Cc1ccc(cc1)C(O)(C)C,0.12219052016735077
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8222097158432007
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.5624524354934692
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9549388885498047
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9561158418655396
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.590822160243988
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9290693402290344
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.5623326301574707
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.772983729839325
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3506346344947815
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.43036946654319763
+O=Nc1[nH]cnc1c1ccccc1,0.5910450220108032
+O=Nc1ccc(cc1)Nc1ccccc1,0.8571817278862
+COc1ccc2c(c1)oc(=O)cc2CBr,0.7183881402015686
+OCN=N,0.5553858876228333
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.5227075815200806
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.11580123752355576
+c1ccc(nc1)c1ccccn1,0.18976345658302307
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.7975544333457947
+Clc1nncc2c1cccc2,0.5596605539321899
+NCCNc1cccc2c1cccc2,0.9015958905220032
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.8413985371589661
+OC(=O)c1ccc(c2c1snn2)O,0.306847482919693
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.732880175113678
+COS(=O)(=O)OC,0.430060476064682
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8945371508598328
+C[C@H](COC[C@H](O)C)O,0.22292165458202362
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.13132652640342712
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.24578706920146942
+[O-][N+](=O)[CH-]CCCC,0.6297591924667358
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.6752040386199951
+CNC(=O)Nc1ccccc1,0.22759275138378143
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.7065763473510742
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.07869132608175278
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3465331494808197
+NC(=O)[C@H]1CO1,0.8906470537185669
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.3844335973262787
+CCCCCCCCCC,0.11458830535411835
+OC(=O)CI,0.44559764862060547
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8754183650016785
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.5793758034706116
+CC1CS1,0.7449332475662231
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9032222628593445
+BrCC(=O)Nc1ccccc1,0.6271325349807739
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.8368051648139954
+OO[C@@H]1CCCc2c1cccc2,0.520450234413147
+Oc1nc(Cl)nc(n1)Cl,0.09448431432247162
+N#CCCCCC#N,0.19400107860565186
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.46130600571632385
+CCOc1cccc(c1)N,0.49118542671203613
+SCc1ccccc1,0.2522488236427307
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.13724450767040253
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9127287864685059
+CCCCCCCCCCCCO,0.14067333936691284
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.12211090326309204
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.21670839190483093
+OC(=O)C1OC1C(=O)O,0.48820582032203674
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.5698469877243042
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8348709940910339
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.04658243805170059
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.3210318088531494
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.5018469095230103
+CCOc1cccc(c1)[N+](=O)[O-],0.7415724992752075
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.19680766761302948
+COC(=O)C(Cl)C,0.7604641318321228
+COC(=O)c1ccc(cc1)O,0.37876662611961365
+CC(Nc1nc(O)nc(n1)O)(C)C,0.06495875120162964
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.7973179221153259
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9738807678222656
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.3599728047847748
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.8649817705154419
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.07928286492824554
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.16925491392612457
+CCOC(C)(C)C,0.12411471456289291
+ONc1ccc(cc1)C(=O)C,0.6754800081253052
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.3404855728149414
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9621986150741577
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.023809760808944702
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.752450704574585
+CCCCCCCCCCCC(=O)NCCO,0.18768510222434998
+Cc1cccnc1,0.3147802948951721
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.13345129787921906
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.906262218952179
+Cc1ccc(cc1)O,0.23552760481834412
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.2712203860282898
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8125051259994507
+CCOCC,0.23247292637825012
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9010893106460571
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.09244027733802795
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.13181564211845398
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6309496164321899
+c1ccc(cc1)Oc1ccccc1,0.22192177176475525
+ClCC(CCl)Cl,0.5206362009048462
+CC1CCc2c(C1)occ2C,0.13595178723335266
+CC(=O)CCC(=O)C,0.1427690088748932
+c1ccccc1,0.1990489661693573
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8965779542922974
+Nc1ccc(c(c1)O)C,0.40639105439186096
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.8300582766532898
+NC(=O)N=NC(=O)N,0.7607964277267456
+COc1nncc2c1ccnc2,0.7504347562789917
+CCCOC(=O)c1ccc(cc1)O,0.22018501162528992
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.18443629145622253
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.10747934877872467
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.13124096393585205
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.922084629535675
+NNc1nncc2c1cncc2,0.8594017028808594
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.4092480540275574
+O=C1C=CC(=NC(=O)C)C=C1,0.6496367454528809
+O=C(c1ccccc1)C(=O)C,0.4034837782382965
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.7944052815437317
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.9027467966079712
+CCOC(=O)C(C(=O)C)Cl,0.6188523173332214
+CCOC(=O)C(=C)C#N,0.3655536472797394
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.6285519599914551
+C1OCCO1,0.21965289115905762
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.28683191537857056
+CCN=[N+](CC)[O-],0.7536547780036926
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.20684342086315155
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.2725291848182678
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.37866297364234924
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.6067644357681274
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.29454198479652405
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.44361233711242676
+NCCO,0.34021902084350586
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.3871658444404602
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.6670886278152466
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.10038717836141586
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.41159695386886597
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9409604072570801
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.560177206993103
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.16322943568229675
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.6242247819900513
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.2318907231092453
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.06867729872465134
+OCC(CBr)(CBr)CO,0.5597888827323914
+CCCC[C@H](C=O)CC,0.19582335650920868
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.5680626034736633
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.36178532242774963
+Cc1cccc(c1)C(=O)Cl,0.35865065455436707
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.8276113271713257
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.47721949219703674
+CC([N+](=O)[O-])(Cl)Cl,0.8728408813476562
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9616461992263794
+O=NN(CC(=O)C)CC(=O)C,0.8580359220504761
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.8592265844345093
+NNc1ccccc1.Cl,0.8370407223701477
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.044217921793460846
+Cc1cc(C)nc(n1)N,0.21764278411865234
+COC[C@H]1CO1,0.7352404594421387
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.5451074242591858
+ClCCCN(C)C,0.6115508079528809
+COc1cc(N)ccc1C,0.5415773391723633
+CCC/C=N\O,0.5221356153488159
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.625268816947937
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.20000092685222626
+O=CC1=CCC(CC1)C(=C)C,0.19943730533123016
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9785881042480469
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.8862630724906921
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.6797043681144714
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.8407515287399292
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.2582698464393616
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.3674473464488983
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6070671081542969
+CN(N=Nc1ccc(cc1)Cl)C,0.7819054126739502
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.4639231562614441
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.040210332721471786
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9545266032218933
+O1CCOCCOc2c(OCCOCC1)cccc2,0.5386000871658325
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.14933684468269348
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.2170291244983673
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.7599055171012878
+O=NN1CCC[C@@H](C1)Cl,0.9000590443611145
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.36663228273391724
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.5291454195976257
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.6549413800239563
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8069170713424683
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.6428605914115906
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.13272935152053833
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8041421175003052
+Nc1cnc2c(c1C)nc1n2cccc1C,0.8028475046157837
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.09714995324611664
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8039361834526062
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7030472755432129
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9765031933784485
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.16109223663806915
+O=Cc1c2ccccc2cc2c1cccc2,0.7984650135040283
+C[C@H](c1ccccc1)O,0.1776117980480194
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.808703601360321
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9644076228141785
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.2349863052368164
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.694996178150177
+Cc1ccc(cc1)OC[C@@H]1OC1,0.8099042177200317
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.1117493137717247
+COc1cccc(c1O)C=O,0.44791579246520996
+Nc1ccccc1.Cl,0.4423993229866028
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.6208451986312866
+O=CC=C(Cl)Cl,0.6389276385307312
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9462917447090149
+OC/C=C(\CCC=C(C)C)/C,0.1945199966430664
+CC(=O)OC(=O)C,0.2385895550251007
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.6541089415550232
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.11862914264202118
+COS(=O)(=O)C,0.2904134690761566
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.1266312301158905
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.19381625950336456
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8992902636528015
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.16061168909072876
+N[C@@H](C(=O)O)CS,0.15553689002990723
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.632886528968811
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.5137916803359985
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.2450503408908844
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.5278404951095581
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.36793699860572815
+O=Cc1ccco1,0.4464973509311676
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.14607597887516022
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.6251484155654907
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.5654296875
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.13459044694900513
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8730853796005249
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.31173452734947205
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9302675127983093
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.5176430344581604
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.13892300426959991
+CC(c1ccccc1)N(C)C,0.23187804222106934
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.7438486814498901
+COc1ccc(cc1)O,0.3222147822380066
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.32594674825668335
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.36747652292251587
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.12022522836923599
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9180496335029602
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.26477912068367004
+[O-][N+](=O)c1cccc2c1cccc2,0.8992398977279663
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.30363181233406067
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.20342227816581726
+CNC[C@H](c1cccc(c1)O)O,0.2954367995262146
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8353388905525208
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.8205572366714478
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9422961473464966
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9472101330757141
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8845731019973755
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9420537948608398
+[O-][N+](=O)c1ccccc1C(=O)C,0.7859176993370056
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.45892319083213806
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.10823120921850204
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.4427254796028137
+Fc1c[nH]c(=O)[nH]c1=O,0.14528603851795197
+OCC[C@H](CCC=C(C)C)C,0.1393631249666214
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.2363385707139969
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.7457008361816406
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8903177976608276
+[O-][n+]1cccc2c1c(O)ccc2,0.6687232255935669
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.28017401695251465
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.8253610730171204
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.8315423130989075
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6339316964149475
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9015140533447266
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9069265127182007
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.12154928594827652
+CC(=O)ON(c1ccccc1C)C(=O)C,0.6018226742744446
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9140491485595703
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5407645106315613
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9257092475891113
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.8860917091369629
+Nc1cccc2c1nc1ccccc1n2,0.9049681425094604
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.7189251184463501
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.6259140968322754
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9025748372077942
+ClCc1ccccn1,0.5063451528549194
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.1589389145374298
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7721481323242188
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.785496175289154
+CCCCN(CCCC)N,0.5359318256378174
+CCC(Nc1snc2c1cccc2)C,0.5369517207145691
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.2378150224685669
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.23854787647724152
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.06963999569416046
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.5217321515083313
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.2769051194190979
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9496622085571289
+Nc1c2ccccc2cc2c1cccc2,0.8680927157402039
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.2825620472431183
+C=CCc1ccc(c(c1)OC)O,0.27463260293006897
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.5970438122749329
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.8889471292495728
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.29094111919403076
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.8429568409919739
+Clc1ccccc1S(=O)(=O)N,0.17771056294441223
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.97186678647995
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.8775472640991211
+O=Nc1ccccc1c1ccccc1,0.6229650974273682
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.8048914074897766
+COC(=O)c1ccccc1O,0.2302197962999344
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.5462666749954224
+CNC(=O)Oc1cccc2c1cccc2,0.6638116836547852
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.8824076652526855
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.10631746053695679
+Oc1ccc2c(c1)cccc2,0.47767743468284607
+ON1C(C)(C)CCCC1(C)C,0.084004245698452
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.741597056388855
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.29353293776512146
+Nc1ccc2c(c1)scn2,0.6825240850448608
+ONc1ccc(cc1)N=O,0.8624285459518433
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.41258248686790466
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7737249732017517
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.6188885569572449
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.970020592212677
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.3534289598464966
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.46484583616256714
+BrCc1ccc(cc1)[N+](=O)[O-],0.929667592048645
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.912723183631897
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7000243067741394
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.5598973035812378
+ClCCN(CCCl)CCCl,0.6751553416252136
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7648935914039612
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.3599728047847748
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.938372015953064
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.6592248678207397
+CCCCC#N,0.1924414336681366
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.34812554717063904
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.6537870764732361
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.40447646379470825
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9728759527206421
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.975378155708313
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9731071591377258
+CCCC[C@H](CO)CC,0.08727870881557465
+CC(=CCC1CCCC1=O)C,0.2452155351638794
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.898658275604248
+ONc1c(C)cccc1C,0.6416099667549133
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.10908730328083038
+COC(=O)c1ccco1,0.3804042339324951
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.6161742806434631
+OCC12OOC2(C)c2c(O1)cccc2,0.35820910334587097
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.33466750383377075
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.07175333797931671
+O1CCOCCOCCOCC1,0.21510152518749237
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.11890845000743866
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.747888445854187
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.2827165126800537
+OC1=CC(=O)C1=O.[Na+],0.7119606137275696
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.7141925096511841
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.09743408858776093
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.8698068857192993
+O=c1ccc(c[nH]1)C(F)(F)F,0.09157775342464447
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8187540173530579
+C[C@H](COC(C)(C)C)O,0.14916637539863586
+CC(CCOC(=O)CC(C)C)C,0.21075955033302307
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.14188899099826813
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.19697988033294678
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.8688150644302368
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9402565956115723
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.07510897517204285
+Sc1nc2c([nH]1)cccc2,0.30397212505340576
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.7647310495376587
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9727879762649536
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.4601556658744812
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.13791167736053467
+COC(=O)CCCCC(=O)OC,0.26048269867897034
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.2529366612434387
+CONC(=O)Nc1ccc(cc1)Br,0.5962813496589661
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8579776883125305
+Nc1cnc2c(c1)cccc2,0.7757874727249146
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8362782597541809
+ClCCN(P(=O)(O)N)CCCl,0.5795656442642212
+ClCCN[P@]1(=O)OCCCN1CCCl,0.7303295135498047
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7625482678413391
+ClCc1cccc(c1)[N+](=O)[O-],0.9021490216255188
+C[C@H](C(=O)Nc1ccccc1)Br,0.6380040049552917
+NC(=O)Nc1ccc(cc1)Br,0.6551979780197144
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.6027559041976929
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8370005488395691
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.49731945991516113
+ClCC1=C(Cl)C(=O)OC1,0.7656364440917969
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.637124240398407
+CCc1ccc(cc1)C,0.15215547382831573
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.19237248599529266
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.28799694776535034
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.8875295519828796
+Nc1cc2cccc3c2c2c1cccc2cc3,0.9399374723434448
+O1CC1Oc1ccccc1,0.6410629749298096
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.2394782304763794
+Clc1ccc(cc1)CNC1CCCC1,0.28182196617126465
+O=Cc1ccc2-c1cocc2COC(=O)C,0.5732361078262329
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.12845122814178467
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9544183015823364
+S=c1ssc(c1C)c1cnccn1,0.31125038862228394
+CCC(=O)C(=O)C,0.2903589606285095
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.8895907402038574
+Oc1ccc(cc1)Cl,0.26686328649520874
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.483501672744751
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.40749305486679077
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.27289512753486633
+Oc1ccccc1c1nc2c(o1)cccc2,0.2416542023420334
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.03493810445070267
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9433912038803101
+COc1cc(F)ccc1[N+](=O)[O-],0.595831573009491
+CCCCOCCCC,0.2327701598405838
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9058486819267273
+OC(=O)CC(=O)O,0.1055469885468483
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.06380510330200195
+Cc1ccc(o1)C,0.22295629978179932
+CCCCCCC=C,0.09848616272211075
+FC(C(F)(F)F)Cl,0.14635643362998962
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.13615532219409943
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.3537847101688385
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9327771067619324
+COc1ccc(ccc1=O)[N+](=O)[O-],0.9120036363601685
+c1ccc2c(c1)oc1c2cccc1,0.7461497187614441
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.09001542627811432
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.7633064985275269
+OCCOc1ccccc1,0.34978818893432617
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.4614392817020416
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.297728955745697
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.3904019892215729
+S=C1SSC2=NCCN12,0.6610278487205505
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.8178965449333191
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9436566233634949
+Nc1ccc2c(c1)oc1c2cccc1,0.8937445878982544
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.16085445880889893
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.3161882162094116
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9340521097183228
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9659099578857422
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9757968187332153
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8663814663887024
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.37104105949401855
+CNCCS(=O)(=O)O,0.17837396264076233
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.6282764673233032
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.029261598363518715
+N#N=NCc1ccccc1,0.844765305519104
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.9059812426567078
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8355274200439453
+OC(=O)C(CC(=O)O)CC(=O)O,0.1567271649837494
+CCn1c2ccc(cc2c2c1cccc2)N,0.9223718643188477
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.4922025799751282
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.6670185923576355
+O=Cc1ccccc1[N+](=O)[O-],0.8000728487968445
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.739639401435852
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.3161882162094116
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.16400468349456787
+NC(=N)S(=O)O,0.45446333289146423
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.08254162967205048
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.212262824177742
+NC(=O)C[C@H]1CO1,0.7255556583404541
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.19986769556999207
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.2390586882829666
+Clc1cccc(c1)C(=O)Cl,0.212436243891716
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.904650092124939
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.269320547580719
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.5861877799034119
+CC(OC[C@@H]1OC1)(C)C,0.6282764673233032
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.7786396741867065
+NCCNCCNCCNCCN,0.715737521648407
+N#CSCSC#N,0.4350571632385254
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.09313829243183136
+CCNc1cccc(c1)O,0.2805827260017395
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.11843204498291016
+O=NN(c1ccccn1)C,0.6523979306221008
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.41454094648361206
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.16960102319717407
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.6905726194381714
+OCCBr,0.8251174092292786
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9832806587219238
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.21738684177398682
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.31928354501724243
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6415261030197144
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.22565074265003204
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.36505359411239624
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.42028746008872986
+Nc1cccc2c1-c1ccccc1C2,0.6544159650802612
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.6112509369850159
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.214359849691391
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.09127199649810791
+N=C(Nc1ccccc1)Nc1ccccc1,0.14748509228229523
+[O-][N+](=O)c1ccccc1Cl,0.6242877840995789
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3107535243034363
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.859341025352478
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.7642802000045776
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.2861267924308777
+O=C1C=C(O)C(=O)c2c1cccc2,0.5064429044723511
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.7782173156738281
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.7727991342544556
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.21124431490898132
+CCCCN(C[C@@H](CC)O)N=O,0.680280327796936
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07016260921955109
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.7145334482192993
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.8042689561843872
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9501786231994629
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.26074671745300293
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9731885194778442
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.06462042778730392
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.7975834012031555
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.25546470284461975
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.13537688553333282
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.22138109803199768
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.20218949019908905
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.8483420610427856
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.8451135754585266
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.4561890959739685
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.5324843525886536
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.7964227199554443
+OCCC#N,0.2703414857387543
+CCOc1ccc(cc1)NO,0.752440333366394
+S=P(N1CC1)(N1CC1)N1CC1,0.8193916082382202
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.3025774359703064
+Nc1ccc(cc1)Cl.Cl,0.5816959142684937
+N#CC(O)(C)C,0.23783373832702637
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.820670485496521
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9541857838630676
+BrCC1=C(Br)C(=O)OC1O,0.6816568374633789
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8418152928352356
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.6616262793540955
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9745947122573853
+O=C(C(F)(F)F)C(F)(F)F,0.07000621408224106
+OCC(CBr)(Br)C,0.6193868517875671
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.774247944355011
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.0498163178563118
+CC(=O)/C=C/c1ccco1,0.3914148211479187
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.6628463864326477
+Cc1cc(C)cc(c1)N,0.35064131021499634
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.5795084238052368
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.1446264088153839
+CC(c1ccccc1)CCN=N#N,0.6015368700027466
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9747613668441772
+C1CCSCS1,0.15441188216209412
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.6450831294059753
+COc1ccc2c(c1)C1CCCCC1C=C2,0.691299557685852
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.1440143585205078
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.7625182271003723
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7472234964370728
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.543267011642456
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.7516672611236572
+CCC12OC2O1,0.7768912315368652
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.1654045283794403
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.7247061133384705
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.22712159156799316
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.7577081918716431
+ClC(=O)c1ccccc1C,0.2382766306400299
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7990239262580872
+NC(=O)N,0.4492158889770508
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.046943217515945435
+COc1ccc(cc1)C1OC1C,0.7162418365478516
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.11464500427246094
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9249693155288696
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.34682705998420715
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.583726704120636
+CSc1ccc(cc1)Cl,0.28516989946365356
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.7090063095092773
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.8409097790718079
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9576292037963867
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.334411084651947
+N[C@H](C(=O)O)CSCCCl,0.6807631254196167
+Clc1ccc2c(n1)cccc2,0.5205487608909607
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9381172060966492
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8330667614936829
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.11947298049926758
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.7186638116836548
+CCSCCOP(=S)(OCC)OCC,0.26176291704177856
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.21537092328071594
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.7658083438873291
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.4560966491699219
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6584644913673401
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.6766260266304016
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.04761778935790062
+Nc1ccc(cc1)c1ccccc1C,0.7543582916259766
+COc1ccc(cc1C(C)(C)C)O,0.11301376670598984
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.024675702676177025
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5866758227348328
+Oc1[nH]nc2c1cccc2,0.1331869661808014
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.42458829283714294
+O=Cc1cccc(c1)c1ccccc1,0.5075892210006714
+O1C2C1C1N=NC2C2C1O2,0.8647027015686035
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.15519767999649048
+FC(C(Cl)(Cl)F)(Cl)Cl,0.03514181077480316
+BrCC(Br)(Br)Br,0.38993969559669495
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.7358132600784302
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8643419146537781
+NC(=O)N/N=C/C(=O)O,0.6880971193313599
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.7415346503257751
+[O-][N+](=O)c1ccccc1Br,0.575652539730072
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.2956615686416626
+CCN(C(=O)N(C)C)N=O,0.8666350245475769
+CC[N+](=NC)[O-],0.7942410707473755
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1445523202419281
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.4360814690589905
+OC(C(Cl)(Cl)Cl)O,0.3766036629676819
+OC[C@@H](CI)O,0.7615519762039185
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9239262342453003
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.9185910224914551
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.4127538204193115
+CNP(=S)(N1CC1)N1CC1,0.8172853589057922
+CC(N(C(C)C)N)C,0.6574125289916992
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.26990270614624023
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.8180301785469055
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.8974956274032593
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8754941821098328
+O=C/C=C(\CCC=C(C)C)/C,0.36637601256370544
+CC(=O)Nc1ccc(cc1)C,0.2903493046760559
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.32738426327705383
+Nc1ccccc1N,0.6251543760299683
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.04558972641825676
+OCCN1CC1,0.7013034224510193
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.13671764731407166
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.853236198425293
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9058049917221069
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.8033791780471802
+[O-][n+]1ncc2c(c1)cccn2,0.7226656675338745
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.5009080171585083
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5019890069961548
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.3832126259803772
+c1cnc2c(c1)C1OC1CC2,0.5046690702438354
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.10243816673755646
+CC(=O)CC(O)(C)C,0.07403221726417542
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.8848366737365723
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9740167856216431
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.8212500810623169
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.3397284150123596
+CC[Si](CC)(Cl)Cl,0.10893966257572174
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6315167546272278
+Nc1ccc(cc1)S(=O)(=O)O,0.20142272114753723
+[N-]=[N+]=NCCC(C(=O)O)N,0.7447075843811035
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7112218141555786
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.765950083732605
+C1CCC2C(C1)c1ccccc1C1C2O1,0.7671593427658081
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.1455649435520172
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.8186528086662292
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.6819847822189331
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.5396248698234558
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.0700676292181015
+CNS(=O)(=O)c1ccc(cc1)N,0.5385009050369263
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.9046093821525574
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.13049140572547913
+CN(N=O)CCCC,0.7872306108474731
+O=C1C=Cc2c3c1cccc3ccc2,0.7711560130119324
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.7817003726959229
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.1398216187953949
+CC(=O)OCCOCCOCCOC(=O)C,0.3490605354309082
+Oc1ncnc(c1)O,0.1132032498717308
+CCCOS(=O)(=O)C,0.2793278098106384
+OCCCCl,0.7013124823570251
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.4192579686641693
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.1063181608915329
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.8640199899673462
+OCc1ccc(cc1)O,0.2694169580936432
+CCOc1ccc(cc1)N,0.7219446301460266
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.7093521952629089
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.7443519830703735
+ClCCOCCCl,0.7825232744216919
+c1ccc2c(n1)c1[nH]ccc1cc2,0.7602051496505737
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.8067463636398315
+CC(=O)c1ccncc1,0.23905782401561737
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.1442021280527115
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8639200925827026
+CC(NC(C)C)C,0.12162548303604126
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8591397404670715
+O=C1CCCCC1,0.1757882982492447
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.11620094627141953
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.42393702268600464
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.4913838803768158
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9461688995361328
+OCc1ccc(cc1N)[N+](=O)[O-],0.9098831415176392
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.15057045221328735
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.6605058312416077
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.1381615251302719
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.15351484715938568
+CCSC(=O)N1CCCCCC1,0.5086154341697693
+CCOP(=S)(OCC(C)C)SCCl,0.6074584722518921
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8052389025688171
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.4739081859588623
+COc1cc(Cl)nnc1c1ccccc1,0.3583630621433258
+ClC(C(=O)C)Cl,0.8330708742141724
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.1653892695903778
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.11084119230508804
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9392854571342468
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.3783114552497864
+OC1CCCCC1,0.08622506260871887
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9045074582099915
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.496547132730484
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.3690463602542877
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.736611008644104
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.4595224857330322
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8706191182136536
+N#N=NC(c1ccccc1)c1ccccc1,0.6276792883872986
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.4645572602748871
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.850339412689209
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.14782848954200745
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9599777460098267
+O=C(c1ccccc1O)OCc1ccccc1,0.21085694432258606
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.6701952219009399
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.8844792246818542
+Cc1cccc(c1)Br,0.20835670828819275
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7386997938156128
+O=S1(=O)CCCC1,0.2662280797958374
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.8567678332328796
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9395187497138977
+OC(=O)c1ccc(c(c1)Cl)Cl,0.1593092530965805
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.6723414659500122
+OCCO,0.18296459317207336
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9486857652664185
+NCC(=O)Nc1ccccc1,0.551182746887207
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1695745885372162
+Nc1cccc(c1)N,0.4068965017795563
+CCOCCOC(=O)C,0.4754599630832672
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.8301141858100891
+OCC(CO)(C)C,0.1139843612909317
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.19159919023513794
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.37342554330825806
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.2937013804912567
+NC(C(=O)O)CN=N#N,0.7435324192047119
+Cc1cnccn1,0.3735654354095459
+Cc1ccc2c(-c3ccccc3C2C)c1,0.507207989692688
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.7227622866630554
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.1863638460636139
+COc1ccc(cc1)C=C,0.343921959400177
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.36196568608283997
+[O-][N+](=O)CC,0.7832437753677368
+CNC(=O)ON=C(SC)C,0.6456224918365479
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.24269075691699982
+CCOC(=O)[C@@H](C(=O)C)Cl,0.5344787836074829
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9730358123779297
+c1ccc2c(c1)cc1c(c2)cccc1,0.824979305267334
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9765033721923828
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.8495187759399414
+BrC(C(Br)Br)Br,0.5303398370742798
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.3632132112979889
+OC(=O)c1ccco1,0.24723753333091736
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9820873141288757
+CC(S(=O)(=O)Cl)C,0.5292792320251465
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.22380609810352325
+COC(=O)C12OC2(C)C(OC1=O)C,0.3180314600467682
+O[C@@H]1OC(=O)C(=C1C)Cl,0.20307838916778564
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.7181368470191956
+COc1cc(ccc1O)C(=O)C,0.34220564365386963
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.10442756116390228
+CO[C@@H]1OC1(C)C,0.5739368200302124
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.5599193572998047
+OC(=O)c1cc(O)c(c(c1)O)O,0.22708281874656677
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.5836866497993469
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.19297966361045837
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.35952073335647583
+CN(/N=N/c1ccc(cc1)Br)C,0.7036762833595276
+O1C=CC2C(C=C1)O2,0.5263723134994507
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.2252652943134308
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.5301847457885742
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.948809802532196
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.06976945698261261
+O=C1C=C(C)C(=O)c2c1cccc2,0.6298038363456726
+O=Cc1cccc2c1nccc2,0.42962899804115295
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.6388696432113647
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8477591276168823
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.20638957619667053
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7343977689743042
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.6638566255569458
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.4803157448768616
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.22789447009563446
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.8998403549194336
+COc1ccc(c(c1)C)N,0.5798121690750122
+Cc1nnc(c(=O)n1N)c1ccccc1,0.8437175750732422
+OC1OC(=O)C(=C1Cl)Cl,0.33283063769340515
+NC1CCCC(C1)N,0.17398203909397125
+C/C=C(\C=O)/Cl,0.6781261563301086
+COc1ccc(cc1N)N,0.7153423428535461
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.6697066426277161
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6165162324905396
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9543342590332031
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.16563886404037476
+OCC#C,0.16619440913200378
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8605387806892395
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.6289008259773254
+CCCCCCCCSCN1C=CN(C1)C,0.5244450569152832
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7717297673225403
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.08746542036533356
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.42204540967941284
+NC(C(=O)O)C(C)C,0.17763400077819824
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.8284554481506348
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6418878436088562
+OC(=O)CCC(=O)O.[Na+],0.09765049070119858
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.6808911561965942
+C1=C[C@@H]2[C@H](C=C1)O2,0.7665925025939941
+COC(=O)C(=C)Cl,0.36481723189353943
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.19217416644096375
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.5695400834083557
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.1810845136642456
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.5043100118637085
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.22767996788024902
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.6374734044075012
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5554717779159546
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.593795120716095
+CCN(c1ccc(cc1)[N+]#N)CC,0.7294085621833801
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.4679018557071686
+CCN(C(=O)N)N=O,0.7713232040405273
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.5268180966377258
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.13426506519317627
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.024280978366732597
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.780721127986908
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.3284946382045746
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.47858771681785583
+O=Cc1ccc(cc1)N,0.6606296300888062
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.2291707694530487
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.024733001366257668
+ClCc1ccc(cc1)CCl,0.62542724609375
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.3431597650051117
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.3983728289604187
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.899006724357605
+Oc1ccc2c(c1)cccc2O,0.4717666208744049
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5584322214126587
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.36418434977531433
+Oc1cccc2c1nccc2,0.3685024380683899
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.6172639727592468
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.44899725914001465
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.7992863059043884
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.46397557854652405
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.7917135953903198
+OCCOCCO,0.2504538595676422
+O=NN(c1ccccc1)O,0.7468556761741638
+Cc1ccc(cc1NCC)O,0.2607060372829437
+Nc1scc(n1)c1ccccc1,0.6314750909805298
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9724224805831909
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.15780875086784363
+OCCCNP(=O)(N(CCCl)CCCl)O,0.5513126850128174
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.295977383852005
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.41681361198425293
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.6320545673370361
+O=CC1=CCCC2(C1(C=O)C2)C,0.6629899144172668
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.14044269919395447
+FC(c1ccc(cc1)Cl)(F)F,0.12085537612438202
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.11768288910388947
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.7584832906723022
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.35479921102523804
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.10553805530071259
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.1698905974626541
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.0748131051659584
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.5599445700645447
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7079657316207886
+Cc1cc(C)nc(n1)Nc1ccccc1,0.2440141886472702
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.17428909242153168
+Cc1cccs1,0.33980876207351685
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.20423731207847595
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.7581902742385864
+C[C@H]1CCOS(=O)(=O)O1,0.2322498857975006
+CCCCOC(=O)c1ccc(cc1)N,0.3786967396736145
+Clc1cccnc1,0.24027390778064728
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.7544392347335815
+O=NN1CCC(=O)NC1=O,0.6396766901016235
+Nc1ccccc1c1ccccc1,0.6425013542175293
+O=C1C=CC(=N#N)C=C1,0.8173726797103882
+COP(=O)OC,0.38802891969680786
+OCC12OOC2(CO)Oc2c1cccc2,0.31133508682250977
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9028365015983582
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.6258569955825806
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.15752074122428894
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.427554190158844
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.7238569855690002
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.7548206448554993
+COC1=CC=CC=CC1,0.47603639960289
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9754006266593933
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.22729651629924774
+CN(P(=O)(N(C)C)N(C)C)C,0.15959784388542175
+O=NN(C(=O)c1c(NC)ncn1C)C,0.6398650407791138
+FC(C(F)(F)F)F,0.2475532740354538
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.3770373463630676
+c1ccc2c(c1)ccc1c2cccn1,0.8413578271865845
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9247058629989624
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.6632136702537537
+[O-][N+](=O)C1CCCC1,0.6607068777084351
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9480036497116089
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.5679470300674438
+Cc1ccc(c2c1ccc1c2cccc1)C,0.7483295202255249
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.8887457847595215
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.8036099672317505
+O=CN(c1cccc(c1)Cl)O,0.6462216973304749
+CC(NC(=O)Nc1ccccc1)C,0.11837761104106903
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.9129026532173157
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.4157175123691559
+ClCC(=O)CCl,0.8395304679870605
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3999015986919403
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.18553179502487183
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.7824574708938599
+[O-][N+](=O)/C=C/c1ccccc1,0.7983812093734741
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.8809067010879517
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.3183034658432007
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.2071864902973175
+CCc1cccc(c1NC(=O)C)CC,0.13664796948432922
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.2807296812534332
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.13666747510433197
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.36260104179382324
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5242716670036316
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.07881724089384079
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.8547174334526062
+Clc1ccc(c(c1)Cl)C(=O)O,0.11232177168130875
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.6290445923805237
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.15591663122177124
+COc1ccc(cc1)C(C=C)O,0.2326740026473999
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.07143060863018036
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9588826298713684
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.06473718583583832
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8586540222167969
+CN1C=CN(C1/C=N/O)CCOCC#C,0.6097688674926758
+CCc1ccc(cc1)[N+](=O)[O-],0.7375707030296326
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.2710800766944885
+Nc1cccc(c1)S(=O)(=O)O,0.21727976202964783
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.8585450053215027
+CCCCO,0.09343650937080383
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.1252133846282959
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.14227895438671112
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.3403475880622864
+CC12OC1C1CCCCC1c1c2cccc1,0.5690267086029053
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.5871735215187073
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.04961886256933212
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.8760074377059937
+Oc1ccccc1c1ccccc1,0.24624507129192352
+COc1ccc(c(c1)C(C)(C)C)O,0.08780644834041595
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9457257390022278
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.960311233997345
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.8237230181694031
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.2885079085826874
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8843612670898438
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.07270518690347672
+Nc1ccc(cc1)Br,0.6735423803329468
+CCCO,0.10358808189630508
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.19604408740997314
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.3732489049434662
+O=Cc1ccc(cc1)Cl,0.4693428575992584
+CC(=O)C,0.14756563305854797
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.8815661668777466
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8862969279289246
+ClCC[N+](CCCl)(C)[O-].Cl,0.47729191184043884
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.5330849885940552
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8414936065673828
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.6798683404922485
+Oc1nc(O)nc(c1)C(=O)O,0.11856802552938461
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.21765032410621643
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.4237731993198395
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.5489178895950317
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.4408124089241028
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8560817837715149
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5570393204689026
+OCc1c(N)cccc1[N+](=O)[O-],0.8459597826004028
+CCNc1nc(N)nc(n1)Cl,0.26829153299331665
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.6527775526046753
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8501714468002319
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8244882822036743
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.650417149066925
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.9448419809341431
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7172485589981079
+OCCc1ccccc1[N+](=O)[O-],0.6295751333236694
+C=CC(=O)OCC(C)C,0.30459481477737427
+O=C/C=C\c1ccccc1,0.40318480134010315
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.12809939682483673
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.9081045985221863
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9258666038513184
+O=NN1CCCC1,0.7746884822845459
+O1CCC2(CC1)CO2,0.22913818061351776
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9583355784416199
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.327554315328598
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.30960631370544434
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.18940365314483643
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.27141454815864563
+CCOc1ccccc1C(=O)N,0.2316133975982666
+O=Nc1ncn(c1c1ccccc1)C,0.6225438714027405
+NCN,0.265468567609787
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.876319408416748
+CNC(=O)Oc1cccc2c1cccc2,0.6184757351875305
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.9136160612106323
+CN(C)C,0.13782161474227905
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9215483665466309
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.6851825714111328
+OC(=O)COc1ccc(cc1)Cl,0.19878968596458435
+Clc1cccc(c1)Cl,0.116876982152462
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.4151833951473236
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.5421316623687744
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.2347041368484497
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.6875624060630798
+CCCCCCOC(=O)C(=C)C,0.18201851844787598
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8026543855667114
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.18572886288166046
+Nc1ncc2c(n1)nc[nH]2,0.5691845417022705
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9483879804611206
+OCC(CBr)(CBr)CBr,0.5221859216690063
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.24482758343219757
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.7621229290962219
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.5411807298660278
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.053862519562244415
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.3753615617752075
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.47841930389404297
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8767406344413757
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8668465614318848
+Cc1cccc2c1nccc2,0.5514364242553711
+CS(=O)(=O)O,0.05552779883146286
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7549890875816345
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.5395234227180481
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.5222338438034058
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.0813777819275856
+CCCCN(CCCC)CCO,0.14232470095157623
+OC(=O)Cn1cncn1,0.12561160326004028
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.07112526893615723
+CCS,0.18368320167064667
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.6373726725578308
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7994499802589417
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9100092053413391
+Nc1[nH]ccc2-c1c1ccccc1n2,0.6460801362991333
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.25429850816726685
+CNc1ccc(cc1)/N=N/c1ccccc1,0.7761603593826294
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7185255289077759
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.501576840877533
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9572847485542297
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.16984684765338898
+[O-][n+]1cccc2c1C1OC1C=C2,0.7338421940803528
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.37253886461257935
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.06853440403938293
+O=C/C=C(/CCC=C(C)C)\C,0.36637601256370544
+Nc1ccc(c(c1)Cl)C,0.646541953086853
+O=CC[C@H](CCC=C(C)C)C,0.21869520843029022
+C1N2CN3CN1CN(C2)C3,0.34329745173454285
+CCN(C(=O)Cc1ccccc1)CC,0.3069358766078949
+CCN(CC)CC,0.2815832495689392
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.12074818462133408
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.46329301595687866
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.14822694659233093
+NC(C(=O)O)CSC(=O)NCCCl,0.7520309686660767
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7860173583030701
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.83568274974823
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.4884451925754547
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.5953054428100586
+Oc1ccc(c(c1Cl)Cl)Cl,0.22316201031208038
+OCCN(CCO)C,0.15628603100776672
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.5962847471237183
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.19514018297195435
+Fc1cc2cccnc2c2c1cccn2,0.5170341730117798
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.23683395981788635
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.5240716934204102
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.12568072974681854
+NCc1ccc(cc1)CN,0.6489561796188354
+ONc1cccc(c1C)C,0.48986905813217163
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6189092993736267
+Cc1ccccc1Cl,0.15875650942325592
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.21285095810890198
+Nc1cnc2c(c1)c1ccccc1cc2,0.9129630923271179
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9473558664321899
+Nc1cccc2c1cc1ccccc1n2,0.9218802452087402
+NN(Cc1ccccc1)Cc1ccccc1,0.6335593461990356
+COc1c2ccc(cc2nc2c1cco2)O,0.7138084173202515
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.6393329501152039
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.6967124938964844
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.06767584383487701
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.1836368441581726
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.08169476687908173
+CN1CCOCC1,0.29501381516456604
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.15299181640148163
+OC(=O)COc1ccc(cc1Cl)Cl,0.22729651629924774
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.20311906933784485
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.09190703928470612
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9162986874580383
+c1ccc2c(c1)cccc2,0.5868265628814697
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9606035947799683
+NNC(=O)c1ccncc1,0.5210752487182617
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.8769655227661133
+OCc1ccccc1[N+](=O)[O-],0.6929067373275757
+O1COCOC1,0.24724259972572327
+[O-][N+](=O)CCO,0.6550014615058899
+ClCC(=O)NCc1ccccc1,0.6833537817001343
+O=NN(Cc1cccc(c1)Br)C,0.8766969442367554
+OC1C=Cc2c(C1O)nccc2,0.19940483570098877
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8985932469367981
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.5208544731140137
+COC1OC1(C)C,0.5739368200302124
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.7935176491737366
+CC(=O)OCc1ccccc1,0.26009637117385864
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.6883406639099121
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8235079050064087
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.38469088077545166
+ONc1ccc(cc1)c1ccccc1,0.6787856817245483
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.13027258217334747
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.7778699994087219
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.938191294670105
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.20036062598228455
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.22973580658435822
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9098058938980103
+OC1OC(=O)C=C1CCl,0.6064027547836304
+CCC(=C)C=O,0.2879515290260315
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.8915403485298157
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.07505609095096588
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.12732496857643127
+COc1ccc2c(c1)nc(n2C)N,0.6478458046913147
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.26357051730155945
+CCCCCC(=O)O,0.06590156257152557
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.43742942810058594
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8650133013725281
+CCCCCCCC/C=C\CCCCCCCCN,0.2834942936897278
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.4664550721645355
+CN/N=N/C,0.7688761949539185
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.833657443523407
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.1139122024178505
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8735939860343933
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8698182106018066
+C[n+]1c2ccccc2nc2c1cccc2,0.7911831736564636
+Cn1ncc(c(c1=O)Cl)N,0.8116089701652527
+CNC(=O)ONC(=O)C,0.5795440673828125
+S1CCSCC1,0.14058558642864227
+CC(OC[C@@H]1OC1)C,0.6675719022750854
+C1NCCS1,0.3187698721885681
+O=C(C1(C)OC1)NCc1ccccc1,0.5723934173583984
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.05418776348233223
+ClCCBr,0.6238312721252441
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.3715958595275879
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8257136344909668
+CCCCCCCCCCCC(=O)C,0.12405840307474136
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.7938423752784729
+Cc1cc2-c3ccccc3Cc2cc1C,0.47793102264404297
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.74871426820755
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.9165509939193726
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.7920850515365601
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.801817774772644
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.12424282729625702
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.21094007790088654
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8935562372207642
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.8477473258972168
+ClCC[N+](C)(C)C,0.2188400775194168
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8806349039077759
+Cc1cccc(c1)C(=O)O,0.1188451275229454
+CCCCCCOC(=O)c1ccccc1,0.17558209598064423
+BrC[C@H](Br)C,0.568556547164917
+Clc1ccc(cc1)S(=O)O,0.17955382168293
+CC(c1ccccc1)C,0.11518976837396622
+COC(=O)C1OC1c1ccccc1,0.5340548753738403
+CCCCOC(=O)C=C,0.2348429411649704
+Nc1ccc(cc1)/N=N/c1ccccc1,0.8345987200737
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.16049796342849731
+C[C@H]1CC(=O)O1,0.17044022679328918
+O=C/C=C/c1ccccc1,0.40318480134010315
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.48121827840805054
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.8832670450210571
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9440048933029175
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.08516903966665268
+COc1cc(N=Nc2ccccc2)ccc1N,0.9218341708183289
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.9442219734191895
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.31336742639541626
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.06689781695604324
+CC(=O)C1(CCNCC1)c1ccccc1,0.0984683558344841
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.9140886068344116
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.3358325660228729
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.6289008259773254
+CCN1CCOCC1,0.18563631176948547
+OOC(c1ccccc1)(C)C,0.34039950370788574
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.4480181336402893
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.06164690852165222
+OC(C1CO1)CO,0.6878845691680908
+COC1=C(OC)C(=O)C(=CC1=O)C,0.3246360719203949
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9452775716781616
+C/C(=C/C)/C#N,0.5466559529304504
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.967473030090332
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.1427004188299179
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.823589026927948
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.19690997898578644
+Clc1cc(N)c(c(c1)Cl)O,0.6877219080924988
+O=C(c1ccccc1)OOC(C)(C)C,0.30003249645233154
+O=Nc1ccc(cc1)O,0.5998371839523315
+Nc1cc(Cl)c(c(c1)Cl)N,0.6499435901641846
+Clc1cccc(c1O)Cl,0.18025581538677216
+OCCN1CCNCC1,0.13988646864891052
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.7763480544090271
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.5970476865768433
+O1C[C@@H]1c1ccccc1,0.6452375650405884
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9415565729141235
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.1661989986896515
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.2134048491716385
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.35511717200279236
+CCN(C#N)N=O,0.8904516100883484
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.1681775450706482
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9634004831314087
+O=c1[nH]cc(cc1O)C(F)(F)F,0.1733517348766327
+ONc1ccccc1,0.4417170584201813
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.15948058664798737
+O=NOC(C)(C)C,0.5581667423248291
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.3753615617752075
+CC1=CC(=O)CC(C1)(C)C,0.0733390599489212
+COc1c2ccc(=O)oc2cc2c1cco2,0.7450269460678101
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.6310540437698364
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.09171983599662781
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.12741829454898834
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.5498982071876526
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.839076042175293
+CCCCNc1snc2c1cccc2,0.45873627066612244
+C=CC(=O)OCCN(C)C,0.5147727727890015
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.8726310729980469
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8393056988716125
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.05403415113687515
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9762857556343079
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.3824980854988098
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7286190986633301
+[O-][N+](=O)[C@@H](CC)C,0.6151394248008728
+Cc1ccc(c(c1)C)O,0.19237634539604187
+C/C=C/c1cc(OC)ccc1OC,0.5895802974700928
+N[C@H](C(=O)O)CS/C=C/Cl,0.7609440684318542
+CCNS(=O)(=O)c1ccc(cc1)C,0.2968909442424774
+Oc1ccc(c(c1)O)O,0.3521603047847748
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.1863638460636139
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6053459048271179
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9115026593208313
+OCCSN=O,0.8271649479866028
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.21921434998512268
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.3165128827095032
+O=C1OC2=CCO[C@H](C2=C1)O,0.26892900466918945
+Cc1ccc(c(c1)O)C(C)C,0.1079387292265892
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.1963515430688858
+Oc1nc2c(o1)cccc2,0.20103967189788818
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.04803752899169922
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.9052466154098511
+O=NN(c1ccccc1)C,0.7382162809371948
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.16327062249183655
+CC1(C)C2CC3C(C1C2)(C)O3,0.1674499809741974
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.11594389379024506
+N[C@@H](C(=O)O)Cc1ccccc1,0.16935066878795624
+Clc1c(O)cccc1Cl,0.15389971435070038
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.045469291508197784
+COP1(=S)OCc2c(O1)cccc2,0.34308871626853943
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6435017585754395
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.911904513835907
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.5081343054771423
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5870190262794495
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.4790998101234436
+CCNc1ccccc1,0.3210371434688568
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.7428594827651978
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8953112363815308
+BrCc1c2ccccc2cc2c1cccc2,0.9498597383499146
+CSCCC=O,0.4891974925994873
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.10949008166790009
+O=C1C=Cc2c(C1=O)cccc2,0.5274301767349243
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.6019830703735352
+O=C1NS(=O)(=O)c2c1cccc2,0.09577764570713043
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.4292936325073242
+O=C/C(=C(/C(=O)O)\Cl)/C,0.30139821767807007
+CCCCCCCCCCO,0.13944724202156067
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6848984360694885
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.11720291525125504
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.5747467279434204
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.3350641429424286
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.4218021333217621
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5371939539909363
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.2227642834186554
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9509673118591309
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.4030637741088867
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.1062580794095993
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.971358597278595
+CCC(OS(=O)(=O)C)C,0.21972918510437012
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.7978560924530029
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.799096405506134
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.1013302430510521
+Nc1ccc(c(c1)N)C,0.4423367381095886
+CC(Cc1ccc(cc1)C(=O)C)C,0.17773716151714325
+CC(C#N)C=C,0.23632463812828064
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.33273792266845703
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.5001466870307922
+CCN(c1cccc(c1)O)CC,0.2078930139541626
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9424325227737427
+C=CC(=O)NCCC[N+](C)(C)C,0.1523565948009491
+C=CC(=C)CCC=C(C)C,0.11873911321163177
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.898385226726532
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9182548522949219
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.7455319166183472
+CCNC(=O)CCC(C(=O)O)N,0.31823283433914185
+Cn1c(N)nc2c1cc1ccccc1n2,0.8551732301712036
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.4956156313419342
+NCCCN,0.3895619213581085
+CCCCCCCCC=O,0.299382746219635
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9521170854568481
+Oc1ccccc1Cl,0.18691691756248474
+CC(=O)Nc1cccc(c1)O,0.17850109934806824
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.14331242442131042
+OCCS,0.22490134835243225
+CC1(CO1)C1CO1,0.5468546152114868
+Nc1ccc(cc1)N=Nc1ccccc1,0.8345987200737
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.25704917311668396
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.23113438487052917
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7072435617446899
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9476549029350281
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.09567423909902573
+OC(=O)CCc1ccccc1,0.08704804629087448
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.627686619758606
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6567416787147522
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.1818971037864685
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.2493228018283844
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.7110072374343872
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.2920910716056824
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.958526611328125
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.8442856073379517
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.15636290609836578
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.044356826692819595
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9330533742904663
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.17034494876861572
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.782769501209259
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.32945579290390015
+CCNC(=N)N([N+](=O)[O-])N=O,0.75804603099823
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.5403745770454407
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.1415136456489563
+[O-][N+](=O)c1ccc(c(c1)O)N,0.905880331993103
+Cc1cccc2c1cccn2,0.46804943680763245
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.7296972870826721
+CCCCCCC=O,0.32471463084220886
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.6859304308891296
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.6588149070739746
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.49051445722579956
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.7805952429771423
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9618512392044067
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.8941278457641602
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.6833863258361816
+Clc1cc(Cl)c(c(c1)Cl)O,0.25007903575897217
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9667152166366577
+OCCn1c(C)ncc1[N+](=O)[O-],0.5465154647827148
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.09567423909902573
+CC(=O)OCN(N=O)CCCl,0.9560357928276062
+C/C(=C\C)/CCl,0.6376599073410034
+BrCCCCBr,0.37330344319343567
+CC(C=O)CC,0.3542848229408264
+CC(=O)n1cncc1,0.2991865575313568
+Oc1ccnc(n1)O,0.14973214268684387
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5466829538345337
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.5384503602981567
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.8490839004516602
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.7735121846199036
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.7589041590690613
+ClCC(Cl)Cl,0.4805346131324768
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7720194458961487
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.27281588315963745
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.918243408203125
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9504345059394836
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.931989848613739
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.37717700004577637
+Clc1nnc(c(c1)O)c1ccccc1,0.14792512357234955
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9427846670150757
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.5755917429924011
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.942570686340332
+CCc1cccc2c1nccc2,0.46818432211875916
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.576846718788147
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.8017279505729675
+O=NN(C(=O)c1ccccc1)C,0.6855694651603699
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.8154508471488953
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.19732920825481415
+COC(=O)c1ccccc1,0.24135124683380127
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9836346507072449
+O=NN(c1cccnc1)C,0.6387673616409302
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.23622198402881622
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9430052638053894
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.6845592856407166
+CC(=O)Nc1cccc2c1cccn2,0.34375056624412537
+c1ccc(cc1)c1ccccc1OCC1CO1,0.7319170236587524
+ClCCCN(COC(=O)C)N=O,0.9397508502006531
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.8288968801498413
+NCCS(=O)(=O)O,0.20351143181324005
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.2389393150806427
+C1CCC(CC1)NC1CCCCC1,0.2475120723247528
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.21738621592521667
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.36305415630340576
+CNc1ccc(cc1)N=Nc1ccccc1,0.7761603593826294
+ClCC[N+](C)(C)C.[Cl-],0.2188400775194168
+CC(CCOS(=O)(=O)C)C,0.2828403115272522
+CC(c1ccc(c(c1)O)C)C,0.16777928173542023
+Cc1ccccc1C,0.1139122024178505
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.5693457722663879
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.18806596100330353
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6172226071357727
+OC(=O)CCCC[C@H]1SSCC1,0.11485333740711212
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.054138876497745514
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.31854069232940674
+O=c1[nH]cc(cc1N)c1ccncc1,0.5055867433547974
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.19136938452720642
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9576889276504517
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.5361586213111877
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9586607217788696
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9235372543334961
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.5067121386528015
+ClCc1cccc(c1)CCl,0.6555870771408081
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8649891018867493
+OC(=O)/C=C/c1ccccc1,0.18217353522777557
+[O-][N+](=O)c1ccccc1,0.6739807724952698
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.5845041275024414
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9654194712638855
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.06590896844863892
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.8495141863822937
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.43174704909324646
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.9366415143013
+COP(=O)(OC)C,0.234198659658432
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.14428158104419708
+Cc1ccc(c(c1)O)N,0.5383859872817993
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.5429061055183411
+Nc1c(C)cccc1O,0.5539804697036743
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.6170121431350708
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.10939488559961319
+ONc1ncnc2c1ncn2C,0.4308772087097168
+OCc1cc2c([nH]1)c1ncccc1cc2,0.786166787147522
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.7726808786392212
+CCC/C=C(/C=O)\CC,0.32853949069976807
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.12469260394573212
+C=CC(=O)NCNC(=O)C=C,0.2552822530269623
+COCOC,0.25252121686935425
+CCCCCCCCCCCCC=C,0.06375429779291153
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.957160472869873
+CC(CNc1snc2c1cccc2)C,0.5942746996879578
+Cc1cccc2c1ccc1c2cccc1,0.8347050547599792
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.3327624797821045
+Oc1cc(Cl)c(cc1Cl)O,0.18124109506607056
+COc1cccc(c1)N,0.4515755772590637
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6141650676727295
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.7825173735618591
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.3429689109325409
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.12411019951105118
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.6256759762763977
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.5402692556381226
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.6539267301559448
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.4886649250984192
+CCOc1cc(C=O)ccc1O,0.384581983089447
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8214200735092163
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.3430863916873932
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.3489150106906891
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8848128318786621
+OC(=O)c1ccccc1N,0.14316818118095398
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9366028904914856
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.08506834506988525
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7610106468200684
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.05595102906227112
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9374960064888
+ONc1cnc2c(c1)nc1n2cccc1,0.8086145520210266
+C=CC(=O)OCCCCCC(C)C,0.17090019583702087
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.21603985130786896
+CC[C@H]([N+](=O)[O-])CO,0.4281351566314697
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.09498018026351929
+OCC(C(C(C(C=O)O)O)O)O,0.3656468987464905
+ONc1nc2c(n1C)ccc1c2cccn1,0.8403531312942505
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.08918457478284836
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8023311495780945
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8906380534172058
+CC(=C)C(=O)OC(C)(C)C,0.13980653882026672
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.29533785581588745
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9595629572868347
+OC1=CC(=O)C1=O,0.6498547792434692
+OC(=O)C(Br)(Br)Br,0.5499482154846191
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.46111464500427246
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9558626413345337
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.579051673412323
+COc1ccccc1O,0.31297874450683594
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.3825990557670593
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.29532694816589355
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.21379294991493225
+Clc1nncc2c1nccc2,0.5410001873970032
+[O-][N+](=O)c1cccc(c1N)C,0.8804076910018921
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.18377891182899475
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.7970837354660034
+ClCC(=C)Cl,0.5472510457038879
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8909614682197571
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.6050644516944885
+CCCCCNCCCCC,0.21197183430194855
+FCC(F)(F)F,0.32843881845474243
+BrCC(CBr)Cl,0.6905309557914734
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9281870722770691
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8709689378738403
+ClCCN([P@](=O)(O)N)CCCl,0.5840619802474976
+CCC(=O)NCc1ccccc1,0.17624369263648987
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.730654776096344
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8086757659912109
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.8226941227912903
+Cc1ccc2c(c1)c(N)sn2,0.774218738079071
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9378529787063599
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.24158839881420135
+O=NN(C(=O)N)CCC(=O)O,0.6404434442520142
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6802971363067627
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.8574482798576355
+ClCCOP(OCCCl)OCCCl,0.532730758190155
+CCCSC(=O)Cl,0.2797733247280121
+O=NN(Cc1cccc(c1)C#N)C,0.8512724041938782
+O=C1C=CC(=O)C(=C1)C,0.5392510294914246
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.6427618861198425
+Nc1ccccc1SCCSc1ccccc1N,0.4846404492855072
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.7115567922592163
+ClCc1ccc(cc1)C(F)(F)F,0.28682100772857666
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.883876621723175
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.06278951466083527
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.045541323721408844
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.680442214012146
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.029322883114218712
+OCc1ccc(cc1)F,0.2696036994457245
+Cc1ccc(cc1)CC1OC1,0.576553225517273
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9626845121383667
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.5607072114944458
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8540514707565308
+CCCCCCCCCCOC(=O)C(=C)C,0.09473738819360733
+ICC[C@@H]1OC[C@H](O1)CO,0.4988130033016205
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4403549134731293
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.22354109585285187
+Cc1cnc2c(c1)cccc2,0.4496585726737976
+CCCCCCCCCCCCCCCC(=O)O,0.04321127384901047
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8382099270820618
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.860146164894104
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.6790177226066589
+COC(=O)c1ccccc1S(=O)(=O)N,0.46376386284828186
+O=NN(c1ccccc1)COC(=O)C,0.8032472729682922
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.7489581108093262
+NC1CC(C)(C)N(C(C1)(C)C)O,0.14523066580295563
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9080277681350708
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7018311619758606
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.11016829311847687
+CC(OC(=O)CC(=O)OC(C)C)C,0.2399786412715912
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.08391054719686508
+BrCCCCCBr,0.43367332220077515
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.39856261014938354
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9297211766242981
+CN(C#N)C,0.8299950361251831
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9254350662231445
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.7984973192214966
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.6334865689277649
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.3681553900241852
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9508941769599915
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6614476442337036
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.21862435340881348
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8706012964248657
+OC(=O)CCP(=O)(O)C,0.12158067524433136
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.7407193779945374
+CC1=Nc2c(C1(C)C)cccc2,0.22788628935813904
+CNc1c(C)cc2c(c1N)cccn2,0.840693473815918
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.7988864779472351
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.7827163338661194
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.4464591145515442
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.813212513923645
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.20750732719898224
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.9458147883415222
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.7081942558288574
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9384092092514038
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9523276090621948
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.6010197401046753
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.11028605699539185
+Cc1ccc2c(c1)nccc2,0.39069801568984985
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.6877711415290833
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9281162023544312
+O=Cc1cccc(c1)[N+](=O)[O-],0.83152836561203
+CCN(C(=S)SCC(=C)Cl)CC,0.18948383629322052
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.3922145962715149
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.5919011831283569
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.3498743176460266
+CN(C(=O)Cl)C,0.6770403981208801
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.10792241245508194
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.07200772315263748
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7701757550239563
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.8956723213195801
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.4638332426548004
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9354655146598816
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.47107547521591187
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.09627028554677963
+CC(=O)/C=C\c1ccccc1,0.3344172537326813
+C/C(=N/O)/C(=O)C,0.5229741930961609
+CCNc1nc(NC(C)C)nc(n1)Cl,0.09049546718597412
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.36621809005737305
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.7873876094818115
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8380905389785767
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.21666140854358673
+CCCCOCCOCCOCCCC,0.20555582642555237
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.3525311052799225
+CCC/C=C/C=O,0.4189310073852539
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.7070116996765137
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.04221899062395096
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8244911432266235
+CCNS(=O)(=O)c1ccccc1C,0.24450688064098358
+[O-][N+](=O)c1cccc(c1C)C,0.6182637810707092
+ONC(=O)c1ccccc1O,0.2963857054710388
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.7756447792053223
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9078041911125183
+[O-][N+](=O)c1scc(c1)C(=O)N,0.8520716428756714
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.14641772210597992
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.20325644314289093
+CN(CCOC(=O)C(=C)C)C,0.4399896562099457
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.7788534760475159
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.8842010498046875
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.7033365964889526
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9694579243659973
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.578563392162323
+O=c1[nH]ncc2c1cccc2,0.5006498098373413
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.863032341003418
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8593997955322266
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.4201568067073822
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.7680339813232422
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.5921066999435425
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6525825262069702
+C=C1CCC2CC1C2(C)C,0.01580600067973137
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.20800337195396423
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.779183030128479
+O[C@@H]1OC(=O)C=C1CCl,0.6384468078613281
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.21257075667381287
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.06201140210032463
+CC(CN1CC(OC1=O)C)O,0.4305395185947418
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.12258778512477875
+CCCCC(=C)C=O,0.17480677366256714
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5575335025787354
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.2890843451023102
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.7769538164138794
+CC(=O)Oc1cccc2c1nccc2,0.4858478903770447
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.9444673657417297
+CCC[C@H]([C@H](CO)CC)O,0.04353674501180649
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.7514320611953735
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9344406127929688
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.3494470715522766
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.43812474608421326
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9315392374992371
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.7261251211166382
+CCC(=O)C=C,0.21570733189582825
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5468555688858032
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.35989946126937866
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.5295500755310059
+CCCCCCCCCCCCCC=C,0.045894671231508255
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.267455130815506
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.6979854106903076
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.0846017450094223
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.7934531569480896
+[O-][N+](=O)c1ccc(c(c1)N)N,0.922022819519043
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9692890048027039
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.3079823851585388
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.701461136341095
+OCc1ccc(cc1)NNC(=O)C,0.23117533326148987
+ClCC(=O)N(c1snc2c1cccc2)C,0.7946992516517639
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.1765775978565216
+O(CC1OC1)CCOCC1OC1,0.7965294122695923
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.7564272880554199
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9455835223197937
+COc1nsc2c1ccc(c2)OCC1CO1,0.8174014091491699
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.13307324051856995
+OC(=O)CNCP(=O)(O)O,0.21870532631874084
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.2795690894126892
+CNC(=O)N(c1ccccc1)c1ccccc1,0.24061033129692078
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.07541757822036743
+[N-]=[N+]=NCCc1ccccc1,0.7508828639984131
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.10219480097293854
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.5718883275985718
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.12893305718898773
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.6983643770217896
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.6854575872421265
+OC(=O)c1ccc(cc1)Cl,0.18059468269348145
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.06925084441900253
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.5717391967773438
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.210744708776474
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.8318914175033569
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6231546401977539
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9090886116027832
+CN1CCC(=CC1)c1ccccc1,0.20642980933189392
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.39523792266845703
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.09453778713941574
+OCc1occ(c(=O)c1)O,0.46815213561058044
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.3659975528717041
+CCCCCOC(=O)C(=C)C,0.18971383571624756
+OC(CN=N#N)CN=N#N,0.8035082817077637
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.2933380603790283
+Fc1ccc2c(c1)sc(n2)O,0.28365105390548706
+Cc1ccco1,0.36085566878318787
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.7469050288200378
+C[C@H](CCl)O,0.692524790763855
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.05030582472681999
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5598493814468384
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.1523084044456482
+CCC=O,0.39842358231544495
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.14305415749549866
+CC(OC(=O)C)C,0.1450640708208084
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.6295673847198486
+Cc1ccnc2c1cccc2,0.45470625162124634
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.6407105922698975
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.22389526665210724
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.6874570846557617
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.3449656665325165
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.2402515709400177
+Oc1nncc2c1cccc2,0.3871217370033264
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.35288745164871216
+C=CCCC1CO1,0.7486268877983093
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.45969051122665405
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.20334377884864807
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.7799524664878845
+O=C1COC(=C1O)C,0.46674686670303345
+NC(=N)N,0.4323967397212982
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.7909955382347107
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.12720313668251038
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9332281351089478
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.8145920038223267
+CCCCOO,0.37995782494544983
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.8859079480171204
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7816497087478638
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.33765652775764465
+COc1cccc2c1nc(s2)N,0.7899330854415894
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9007166028022766
+CCCCCCCCCCCC(=O)O,0.05506647378206253
+CC1=CC2CCCCC2c2c1cccc2,0.38730746507644653
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.631842851638794
+Oc1ncc(cc1N)c1ccncc1,0.4967321455478668
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.7691698670387268
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7686759233474731
+CCCCC(CCCC)(CCC)S,0.040050894021987915
+CN(c1ccccc1)C,0.4644138813018799
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.1980084478855133
+Nc1ncnc2c1ncn2Cc1ccccc1,0.6711544990539551
+NC(=O)c1cccnc1,0.21036557853221893
+N#Cc1ccc2c(c1)nc(n2C)N,0.7036873698234558
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.0379648394882679
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8243141174316406
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9413957595825195
+CCOc1ccc(cc1N)NC(=O)C,0.4883517324924469
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.5399875640869141
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.5803727507591248
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.5959068536758423
+Clc1ccc(c(c1)Cl)O,0.25858157873153687
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.3942689299583435
+C/C=C\C=C,0.22600789368152618
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.1327551305294037
+CCN(c1ccccc1)Cc1ccccc1,0.4435059130191803
+Nc1ccc(cc1)N.Cl.Cl,0.5609761476516724
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8563231229782104
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.8757144808769226
+OC(CO)CN=N#N,0.7942432165145874
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.6577881574630737
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.4032631814479828
+CCOc1ccccc1[N+](=O)[O-],0.5506444573402405
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.24294929206371307
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.2788791060447693
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06578810513019562
+BrC[C@H]1CO1,0.9610190391540527
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.3779747486114502
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.5239205360412598
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.8386152982711792
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.1818632036447525
+Clc1cccc2c1cc1ccccc1c2,0.8506588935852051
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.6434334516525269
+CN1CCN=N1,0.7737686038017273
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.22643332183361053
+O=NN(C(=O)N)CCCC(=O)O,0.6553557515144348
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7103154063224792
+CCOS(=O)(=O)c1ccc(cc1)C,0.2772461771965027
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.03541943058371544
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5681858062744141
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.846455454826355
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.6937718987464905
+CCCC(=O)OCCC(C)C,0.2169053554534912
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.575117290019989
+c1ccc(cc1)Cn1cncc1,0.4940871298313141
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.2096337080001831
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.4575711786746979
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8476454019546509
+Nc1ccccn1,0.34001269936561584
+OCCc1ccc(cc1)N(C)C,0.1663261204957962
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9551753997802734
+CCCCCCC1OC1,0.6861570477485657
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2706913650035858
+c1ccc(cc1)[Se][Se]c1ccccc1,0.2399294674396515
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.5881493091583252
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3661595582962036
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.08434320241212845
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.3387681841850281
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.22890380024909973
+CCCCC,0.058361150324344635
+CCSCSP(=S)(OCC)OCC,0.3468669056892395
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.09894561767578125
+Oc1cccc2c1OC(C2O)(C)C,0.23240704834461212
+Cc1ccc2c(c1)cccc2,0.5458592176437378
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.11032940447330475
+O=NN1CCC[C@@H]1c1cccnc1,0.3536435663700104
+CCCCCN(CCCC)N=O,0.7100766897201538
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.6849061846733093
+CC/N=[N+](/CC)\[O-],0.6994897127151489
+CCCCN(CCC(=O)O)N=O,0.41374579071998596
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9718542098999023
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5598493814468384
+Cc1cscc1,0.38821208477020264
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.6063352227210999
+Clc1cnc2c(c1C)cccc2,0.5053082704544067
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.7961663603782654
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.2323886901140213
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.43263474106788635
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.08993954956531525
+O=Cc1ccc(o1)[N+](=O)[O-],0.7977844476699829
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.8310101628303528
+O=C1NC(=O)C(=C1Cl)Cl,0.3665953278541565
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.8723127245903015
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.8553987741470337
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8189422488212585
+OCCN(N=O)CC,0.8231441378593445
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.81023108959198
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9229252934455872
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.6060776710510254
+C/C(=N/O)/CC,0.4478628635406494
+ClCC[N+](CCCl)(C)[O-],0.46913233399391174
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.10001065582036972
+OC(=O)CCCc1c[nH]c2c1cccc2,0.1342463195323944
+C/C=C/c1ccc(c(c1)OC)O,0.480337530374527
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9465925097465515
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9387346506118774
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4352075457572937
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5653126835823059
+COc1nsc2c1cccc2OCC1CO1,0.7909945249557495
+CCOC(=O)C(Br)C,0.677034318447113
+[O-][n+]1ncc2c(c1)ccnc2,0.6773120164871216
+CC(=C)C(=O)OCC(C)(C)C,0.12504486739635468
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.12934350967407227
+CCCCC1CO1,0.7009245157241821
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.31074628233909607
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.8023117780685425
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6278400421142578
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.3047240972518921
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.24717190861701965
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.5573757886886597
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.286261647939682
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.10989938676357269
+Nc1ccc2c(c1)nc(c(n2)C)C,0.7606468200683594
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8494217991828918
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.18958911299705505
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9827243685722351
+CCCSP(=O)(SCCC)OCC,0.25302019715309143
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.4054068624973297
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.8165653944015503
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.6769163012504578
+CCCCCN(CCCCO)N=O,0.7015079855918884
+O=NN(CCN(C)C)C,0.8329211473464966
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.4392075538635254
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8863123059272766
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.1474986970424652
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.25672900676727295
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.3853631615638733
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6331452131271362
+COP(=O)(N1CCOCC1)OC,0.4236818253993988
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.6710591316223145
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.39996200799942017
+SC[C@@H](C(=O)O)NC(=O)C,0.17339155077934265
+Nc1ccc(c(c1)Cl)Cl,0.6794203519821167
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.35010069608688354
+CCCCCCc1ccc(cc1O)O,0.05084465816617012
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.09076932817697525
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.397033154964447
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.07919996976852417
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8963777422904968
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.855038046836853
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9182519912719727
+O=CC(=O)c1ccccc1,0.3412194848060608
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.8999152183532715
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.8131427764892578
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7984973192214966
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7856465578079224
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8630082011222839
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.20592811703681946
+ClC(=O)CCc1ccccc1,0.23090441524982452
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.25966379046440125
+Cc1c(N)c(C)c(c(c1C)N)C,0.4978266656398773
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7344567775726318
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9694579243659973
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.6447242498397827
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.6978298425674438
+c1ccc(cc1)/C=C/c1ccccc1,0.3264908194541931
+CCC(C)C,0.0781104788184166
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.09365065395832062
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9762340784072876
+S=C=Nc1cccc2c1cccc2,0.6606963872909546
+CCOC(=O)C(=C)C,0.26785075664520264
+O=CC(C)C,0.5021234750747681
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9180275797843933
+ClC(c1ccccc1)(Cl)Cl,0.19400547444820404
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.8592439889907837
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.871544361114502
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.052738744765520096
+CCN(c1ccccc1)CC,0.23802927136421204
+O/N=C(/c1ccccc1)\N,0.5790252685546875
+Nc1cccc2c1cccn2,0.6441910862922668
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9694615602493286
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8656604886054993
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9764060974121094
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.2774960994720459
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.22927239537239075
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.8601959943771362
+NC(=O)c1c(Cl)cccc1Cl,0.3129369616508484
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.16146934032440186
+COc1ccccc1[N+](=O)[O-],0.5830446481704712
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.8702553510665894
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.2820543646812439
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.8315631747245789
+CC(=C)C(=O)O,0.12383375316858292
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6185357570648193
+CC(Cl)Cl,0.37090253829956055
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9551782608032227
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.929530143737793
+COP(=O)(O)O,0.18125216662883759
+NC(=O)NO,0.7406944036483765
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9459912180900574
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.61236572265625
+C=CCc1cc(OC)c2c(c1)OCO2,0.23932389914989471
+C/C=C/C=C/C=O,0.575371265411377
+O=C=Nc1cccc2c1cccc2N=C=O,0.7296781539916992
+O=C1C=CC(=O)O1,0.49853652715682983
+O=NN(CC(=O)C)COC(=O)C,0.8646267056465149
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9587678909301758
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.38953226804733276
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.8059847950935364
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.5559340119361877
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9643456339836121
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9513953924179077
+C=CC=O,0.47761115431785583
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.18598201870918274
+Clc1cc(Cl)c2c(c1O)nccc2,0.5427212715148926
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.7057056427001953
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.027923479676246643
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.2479569911956787
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.06305336207151413
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.13782837986946106
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.6142135262489319
+O=C(Cc1ccccc1)OCc1ccccc1,0.24716193974018097
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.12400968372821808
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.7079800367355347
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.09667962789535522
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.15849992632865906
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5117959976196289
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.2803519368171692
+ClC[C@H](O[C@@H](CCl)C)C,0.35899272561073303
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9699180722236633
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.10348129272460938
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.09597413241863251
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.4791394770145416
+OCC(C1OC(=O)C(=C1O)O)O,0.3456692695617676
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.12823492288589478
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9595810174942017
+CCCCN(C[C@@H](CCO)O)N=O,0.5278498530387878
+O=N#Cc1cc(C)cc(c1)C#N=O,0.3161064684391022
+CCN(c1ccccc1)N,0.7066646218299866
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6988774538040161
+[O-][N+](=O)c1cccc2c1snc2Cl,0.8118392825126648
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.521418035030365
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.3364066481590271
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.8966061472892761
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.13560496270656586
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.6855711936950684
+ClC(C(Cl)Cl)Cl,0.43487825989723206
+Cc1cccc(c1N)C,0.5341274738311768
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9703512191772461
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.19875860214233398
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.5488556027412415
+Cc1ncc(nc1)C,0.1531849056482315
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.0603804886341095
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.909243106842041
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.09668798744678497
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.562218964099884
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.945903480052948
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.8325269818305969
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.04680541157722473
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.1688496321439743
+Cc1cccc(c1N)C,0.5341274738311768
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9048994183540344
+CCOO,0.5517460703849792
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.877209484577179
+CCOC(=O)c1ccccc1N,0.4525884985923767
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.977098286151886
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9644088745117188
+O=Cc1ccccc1O,0.1998106688261032
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.06021203473210335
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.5037733316421509
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9626781344413757
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8371914029121399
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.07307959347963333
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.15195076167583466
+CN(C(=O)OCC)N=O,0.8848519325256348
+OC(=O)[C@@H](CCl)Cl,0.6260776519775391
+C=COc1ccc(cc1)[N+](=O)[O-],0.6948907971382141
+CNC(=O)O/N=C/C(SC)(C)C,0.5223871469497681
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.21862435340881348
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.34131497144699097
+CC(COS(=O)(=O)C)C,0.3793291449546814
+C[C@@]1(CO1)C=C,0.7517936825752258
+Nc1cc2ccccc2cc1N,0.897805392742157
+Brc1cccc(c1)c1ccccc1,0.39706069231033325
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.2203361690044403
+OC(=O)CC(C(=O)O)N,0.2327696830034256
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.6712633371353149
+CC(COC(=O)C=C)O,0.2948433756828308
+O=C1c2ccccc2Cc2c1cccc2,0.5733684301376343
+O1CCOCCOCCOCCOCCOCCOCC1,0.28010010719299316
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.02526821196079254
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.4002018868923187
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.3742228150367737
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.02613358199596405
+NCC(C)C,0.31991666555404663
+CCCCCCCCCCCCc1ccccc1,0.04885696992278099
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.4642722010612488
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.4274578094482422
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8388441205024719
+NN(C(=O)C)C(=O)C,0.6469846367835999
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.909243106842041
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7844775915145874
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.24607443809509277
+CC(=C)c1ccccc1,0.08605879545211792
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.16827434301376343
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.7446965575218201
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9871292114257812
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.7485853433609009
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8273168802261353
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.27955400943756104
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.724260151386261
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.437136173248291
+ClCC=CCCl,0.7633653879165649
+Nc1c(C)cccc1N,0.6896630525588989
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.28841060400009155
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.325120210647583
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.77360999584198
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7214980125427246
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.34468933939933777
+Nc1[nH]cc2-c(n1)ncn2,0.3346567153930664
+C=C[Si](Cl)(Cl)C,0.1280396282672882
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.2193426638841629
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7510703802108765
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.05679996684193611
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.9571183919906616
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.7387586832046509
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.7448566555976868
+NC(=O)C=C,0.5113584399223328
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.5131102800369263
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6892951726913452
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.18960776925086975
+[O-][N+](=O)/C=C/c1ccco1,0.6756443381309509
+ClCC(=O)c1ccc(cc1Cl)Cl,0.5299252271652222
+O=NN(CC(=O)COC(=O)C)C,0.9107083082199097
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.6814111471176147
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.4102100431919098
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.250750333070755
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.39088302850723267
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8538599014282227
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9402955174446106
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9623647928237915
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.7406119704246521
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.713284969329834
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.5958752632141113
+Clc1ccc2c(c1)c(N)sn2,0.7296085953712463
+N#N=Nc1nc2c(n1C)cccc2,0.8981353640556335
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.37541013956069946
+C=CS(=O)(=O)C,0.2231164425611496
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.33448055386543274
+CCO[Si](OCC)(OCC)C,0.07549667358398438
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9814895391464233
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.21219997107982635
+OCc1c(CO)cnc(c1O)C.Cl,0.13072291016578674
+CC(C(=O)O)Cl,0.5055967569351196
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.22606471180915833
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.831270694732666
+Cc1nccc2c1[nH]c1c2cccc1,0.5858122110366821
+O=C1CCc2c(O1)cccc2,0.24210527539253235
+BrCC(=O)N(Cc1ccccc1)C,0.6980258226394653
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.2889803349971771
+Nn1nnc2-c(c1O)nc1c2cccc1,0.8654338717460632
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.4055684208869934
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.04932604730129242
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3525637984275818
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.7926433086395264
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8787728548049927
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.6813283562660217
+CCCN(CCC)CCC,0.16349677741527557
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9631951451301575
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.6016316413879395
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8972814679145813
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.7620788216590881
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.44350141286849976
+OC(=O)[C@H](O)C,0.15530088543891907
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.19562914967536926
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.13461068272590637
+ClC(=O)c1ccccc1F,0.1386972963809967
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8954877853393555
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.2568788528442383
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.7618451714515686
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.6970794796943665
+CNC=O,0.541146993637085
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.39267486333847046
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9292669296264648
+ClCC(C(Br)(C)C)Br,0.2518739402294159
+COC(=O)c1ccc(cc1)C=O,0.33170613646507263
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.42336517572402954
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.6259546875953674
+ClNc1nc(NCl)nc(n1)NCl,0.17553964257240295
+CN(c1[nH]cnc2-c1ncn2)C,0.2501743733882904
+C[C@H]([C@@H](CBr)Br)Cl,0.6708751320838928
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.7257717847824097
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9814866185188293
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.49409404397010803
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.8302803039550781
+O=c1cn[nH]c(=O)[nH]1,0.19528506696224213
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.030892694368958473
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.3163614869117737
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.12254714965820312
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.3308616876602173
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.5715453624725342
+OC(=O)CCl,0.6141077280044556
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.17746803164482117
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.09562293440103531
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.2814720571041107
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8508332371711731
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.02664262428879738
+C[C@H](C=O)CC,0.3222975432872772
+ICCc1ccccc1,0.5211869478225708
+Cc1c(NC)ccc2c1nccn2,0.6461496353149414
+NC1CCCCC1,0.17791898548603058
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8755174875259399
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.7178266644477844
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.07067746669054031
+ClC(C[C@@H]1OC1)(Cl)Cl,0.5962132215499878
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9178120493888855
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.6067231893539429
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.8907192945480347
+Nc1cc(Cl)cc(c1)Cl,0.3748350441455841
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.7123205065727234
+COC(=O)c1sccc1S(=O)(=O)N,0.31125158071517944
+ONc1ccc(cc1)[N+](=O)[O-],0.7806960344314575
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.3717317283153534
+NC(=O)Nc1ccc(cc1)C,0.598585844039917
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.6549673080444336
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.20888710021972656
+BrCC(=O)c1ccc(cc1)Br,0.5666314959526062
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.8493816256523132
+CCN=NO,0.6869059205055237
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.7637378573417664
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.8515344858169556
+c1ccc2c(c1)ccc1c2nccc1,0.8394849896430969
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.05359584093093872
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.32299184799194336
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.23689040541648865
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.6326278448104858
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.44110196828842163
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.20488381385803223
+CCCCOP(=O)(OCCCC)OCCCC,0.16017240285873413
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.951849102973938
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.6971235871315002
+COc1nsc2c1cccc2OC[C@H]1CO1,0.7909945249557495
+c1ccc2c(c1)nc1c(c2)cccc1,0.7999523878097534
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.8351367115974426
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.4917116165161133
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.24720177054405212
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.7988746762275696
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.650389552116394
+O=C1NCNC(=O)N1,0.11930298805236816
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9603005647659302
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.3761889338493347
+OCCOCCOCC,0.25243833661079407
+O=C/C=C/c1ccc(cc1)N(C)C,0.5993713140487671
+Oc1ccc(cc1)C(=O)O,0.09249204397201538
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.17139337956905365
+C/C(=N\O)/CC,0.4478628635406494
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9505931735038757
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.22692322731018066
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8510505557060242
+CCC(=O)C(=O)CC,0.1409021019935608
+C1CCCC1,0.2269953042268753
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.474692165851593
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.2812848687171936
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.20945540070533752
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.17072400450706482
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.9415744543075562
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.19829675555229187
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.062252312898635864
+Cl[C@@H](C(F)(F)F)Br,0.21880988776683807
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.5142103433609009
+CCCCCCCCCCCCCC(=O)O,0.04376447573304176
+c1ccc2c(c1)Oc1c(O2)cccc1,0.4899623990058899
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.07501867413520813
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.790673017501831
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.26556652784347534
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8533920049667358
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9445170164108276
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.383332222700119
+NNc1nncc2c1nccc2,0.8660678863525391
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.5691747665405273
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.36957472562789917
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.8871521949768066
+O=C1C=CC(=O)C(=C1)Cl,0.4910295605659485
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.5578077435493469
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.07395203411579132
+N#CCC[C@](C#N)(CBr)Br,0.6596221923828125
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.5029072761535645
+C=CCOC[C@H]1CO1,0.7980451583862305
+O=c1nc[nH]c2c1cccc2,0.338773638010025
+COC(=O)CCC(=O)OC,0.4437052607536316
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.0233360193669796
+NC(=O)NCC(=O)O,0.6034412384033203
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.5055943131446838
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.8200590014457703
+CC1=NNC(=O)N(C1)N,0.7461890578269958
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.8763023614883423
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9558895230293274
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.09716100990772247
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.8440637588500977
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.7676084041595459
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.18885435163974762
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.13558682799339294
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.7650700211524963
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.195283442735672
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.6990275979042053
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9643456339836121
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.43375253677368164
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.7603926062583923
+CNC(=O)Oc1ccccc1OC(C)C,0.2728273272514343
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.08660876005887985
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.7858811020851135
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.2531130909919739
+O=C1CC=C(O1)C,0.24525316059589386
+CCCCC=C,0.06759888678789139
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.27259159088134766
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.06621266156435013
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8031225204467773
+Clc1ccc2c(c1)cccc2,0.5934818983078003
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.6051166653633118
+COc1ccc(cc1)N,0.6208170652389526
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.45589980483055115
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9056671857833862
+[O-][N+](=O)c1ccc(c(c1)N)O,0.8862083554267883
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.22643165290355682
+CCCCN(CCCC)CCCC,0.15068653225898743
+ClCc1ccc(cc1)Br,0.7442136406898499
+CN(N=O)C[C@H](O)C,0.8683643341064453
+COP(=S)(SCC(=O)N(C=O)C)OC,0.6416335105895996
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.23444399237632751
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.33794039487838745
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.8382571339607239
+CCCCCCC(=O)OCC,0.20329447090625763
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.25727203488349915
+NC(C(=O)O)CS/C=C/Cl,0.711463987827301
+ClCN1C(=O)c2c(C1=O)cccc2,0.5890976190567017
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.5765771269798279
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.6881024241447449
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.3971189558506012
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.3359402120113373
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.7774137258529663
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9664756059646606
+CCCCN(CC[C@H](O)C)N=O,0.5491018295288086
+ONC(=O)c1ccccc1,0.19624385237693787
+OC(=O)c1cc(O)c2c(n1)cccc2,0.4492042660713196
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8634165525436401
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.928611159324646
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.764846682548523
+CCN1CCN=N1,0.84074866771698
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.8673533201217651
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7004979848861694
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7274923324584961
+BrC(C=O)CBr,0.9097970724105835
+Nc1nc(O)c2c(n1)nn[nH]2,0.43731433153152466
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.226300910115242
+C[N+](Cc1ccccc1)(C)C,0.044366754591464996
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.16497084498405457
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.5444170236587524
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9276664853096008
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.47887498140335083
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8487836122512817
+C/C=C\c1cc(OC)c(cc1OC)OC,0.33450761437416077
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.920861542224884
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8416379690170288
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6340004205703735
+CCC(OC)(C)C,0.15567587316036224
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9043711423873901
+CCSC(=O)Cl,0.40322914719581604
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.4908658564090729
+Clc1ccc(c(c1)N)O,0.6351178884506226
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8732464909553528
+Nc1nc2c(s1)cccc2,0.6904786825180054
+O=NN1CC(=O)NC1=O,0.7675532698631287
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.39386218786239624
+CCCN(C(=O)N)N=O,0.8095868825912476
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.016171693801879883
+CC(=S)N,0.6968923807144165
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.0502946674823761
+OCCCN(N=O)CC,0.728706955909729
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.8857632875442505
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.5190285444259644
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.43836742639541626
+Clc1ccccc1C(F)(F)F,0.08715852349996567
+COCCOCCOCCOC,0.2663753926753998
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.7917625904083252
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.921046257019043
+BrCCC(CCBr)(CO)CO,0.5641298294067383
+CC(Nc1nc(N)nc(n1)Cl)C,0.16862176358699799
+Nc1cccc(c1)c1ccccc1,0.5501435995101929
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5690981149673462
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.40179723501205444
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.8616353273391724
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8552123308181763
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.20077411830425262
+NC(=O)c1ccccc1C(=O)N,0.43570154905319214
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.4075230658054352
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.26097169518470764
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.4651866555213928
+C=Cc1cccnc1,0.15877100825309753
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.4814798831939697
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.977558970451355
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.3775077164173126
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.7443296313285828
+CCCCc1cc(C)cc(c1O)CCCC,0.0999244675040245
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.21879605948925018
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.044863760471343994
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.291226327419281
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9156075716018677
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.5015950202941895
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.5885912775993347
+O=C1CCC(N1C)c1cccnc1,0.1712203323841095
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8807799220085144
+CC(=O)Nc1ccc(cc1)O,0.2987540364265442
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.7944937944412231
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.8994818925857544
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.440441370010376
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.44250378012657166
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9339323043823242
+O=c1[nH][nH]c2c1cccc2,0.36679941415786743
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.038817428052425385
+C[Si](O)(C)C,0.09868855029344559
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.20295262336730957
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9550617933273315
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8463913798332214
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.8815180659294128
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.6837167143821716
+COc1ccc(cc1)CCC1OC1,0.758987545967102
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.32706594467163086
+OCC(Cc1ccccc1)CN=N#N,0.7604877948760986
+CCOc1ccc(cc1)[N+](=O)[O-],0.7398980855941772
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9580146074295044
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.040584929287433624
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.7807139158248901
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.11970023065805435
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.8481488227844238
+CCCCNCC,0.18097952008247375
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.8861848711967468
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.985373318195343
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.8437368273735046
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.15043123066425323
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.8603115081787109
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.03767098858952522
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6964404582977295
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.035151414573192596
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.8520952463150024
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.9097610712051392
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.09871182590723038
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9440706968307495
+N1CCNCC1,0.12863659858703613
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.03954245522618294
+COc1cccc2c1C1(C)OOC1(O2)C,0.13268856704235077
+CC1(CO1)C(=O)N,0.7940931916236877
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.7282613515853882
+CSc1cc(SC)c(c(c1N)C)N,0.3245258927345276
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.4298160672187805
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.10447853803634644
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8267295956611633
+ClCC(Cl)(Cl)Cl,0.26051056385040283
+O=C1NS(=O)(=O)Cc2c1cccc2,0.1879090666770935
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.932280421257019
+CC(=O)CCl,0.8197944760322571
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.11244936287403107
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.2089824676513672
+c1ccc2c(c1)cnnc2,0.532636821269989
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.520268440246582
+CCN(N=O)C=O,0.9309533834457397
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.07327453792095184
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.5390690565109253
+O=C([C@@H]1OC1)Nc1ccccc1,0.7463343739509583
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9746986627578735
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.2071254551410675
+COc1ccc(cc1)C[C@@H]1OC1,0.6234124898910522
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.824573814868927
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.6226925849914551
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8065212965011597
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8183614611625671
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.8444405794143677
+Oc1cc(O)c2c(n1)cccc2,0.2950894236564636
+OCNC(=O)NCO,0.11140547692775726
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7921923398971558
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.3822264075279236
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.3731366991996765
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.25646305084228516
+C[C@@]1(CO1)[C@H]1CO1,0.5323292016983032
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.702121913433075
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.6315794587135315
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.6850026845932007
+O=NN(CC(=O)C)C[C@H](O)C,0.5874625444412231
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.8445798754692078
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9489995837211609
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.1777503341436386
+Oc1cccc(c1)Nc1ccccc1,0.27861133217811584
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.05203934758901596
+NCC(=O)O.Cl,0.3414810597896576
+COc1c2oc(=O)ccc2cc2c1occ2,0.6926778554916382
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9308068156242371
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9673455953598022
+[O-][N+](=O)C(C(O)C)C,0.5986244082450867
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.3746579587459564
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.9263986349105835
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.13464820384979248
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.90343177318573
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8385915756225586
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.32795846462249756
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.23704957962036133
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8510318994522095
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8474024534225464
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.6793893575668335
+C/C=C\C=C/C(=O)O,0.2804899513721466
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.12872865796089172
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.5458868145942688
+c1ccc2c(c1)scn2,0.5808979272842407
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.7699785828590393
+C([C@@H]1OC1)C[C@@H]1OC1,0.5712537169456482
+CCCC=O,0.33199355006217957
+OC1CC(C)(C)N(C(C1)(C)C)O,0.09918523579835892
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.04486384242773056
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.12327369302511215
+OC(=O)COc1ccc2c(c1)cccc2,0.42080220580101013
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.827684223651886
+Nc1ccccc1Cl,0.5295712947845459
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.015372117981314659
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.16778308153152466
+CNC(=O)N(C(=O)C)O,0.4141194224357605
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.8232361674308777
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7227595448493958
+OCNC(=O)c1ccc(cc1)Cl,0.1623867154121399
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5336436033248901
+NCCc1c[nH]c2c1cc(O)cc2,0.6421945691108704
+c1ccc(cc1)Nc1ccccc1,0.4292027950286865
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.6622210144996643
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.40124693512916565
+COc1ccccc1C[C@H]1CO1,0.6585279703140259
+Nc1ccnc2c1cccc2,0.6186684370040894
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.6922879219055176
+COc1cc(N)c(cc1N)OC,0.5071740746498108
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.5217028856277466
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.2178119719028473
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.625538170337677
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.4808379113674164
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.35001853108406067
+NCCc1c[nH]c2c1cccc2.Cl,0.7067354917526245
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.49618783593177795
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.4229498505592346
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.8610434532165527
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7605966925621033
+C[C@H]1CO1,0.6819947957992554
+Cl/C=C/CSCC(C(=O)O)N,0.7009502649307251
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8873394727706909
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8608993291854858
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.20003660023212433
+N#CCc1cn(c2c1cccc2)N=O,0.8253887295722961
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.8523651361465454
+CN(c1nc(C)c(c(n1)O)C)C,0.10737913846969604
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.5748583674430847
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9606366157531738
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.8337501287460327
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.24688465893268585
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.06699608266353607
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8687135577201843
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.6673319935798645
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.256334125995636
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.9000528454780579
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.22203412652015686
+CCCCCCCCCC=C,0.061302680522203445
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7884173393249512
+CCOC(=O)CC(=O)CCl,0.6219512224197388
+C=Cc1ccc(cc1)N,0.4454270303249359
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.7398186326026917
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.3177763521671295
+Nc1ccccc1SCSc1ccccc1N,0.48981183767318726
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.05700449272990227
+CCC/C=C(\C=O)/CC,0.2876294255256653
+Oc1cccc(c1)Cl,0.17240658402442932
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.9160106778144836
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.4577507972717285
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.26311302185058594
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.720140814781189
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.7670096755027771
+N#N=NCC(C(C(C(CO)O)O)O)O,0.7694653272628784
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.02730775997042656
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.5502998232841492
+Cc1cc(C)c(c(c1N)C)N,0.48795127868652344
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.17552876472473145
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.09581540524959564
+OC(=O)c1cccc(c1)C(=O)O,0.12155493348836899
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.21300525963306427
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.2121119499206543
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.18926399946212769
+OCCCCCCCCCCCCCCCCCC(=O)O,0.06127697229385376
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.292542964220047
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.951995849609375
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.5905395746231079
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8022187948226929
+COc1nncc2c1cccc2,0.5363152027130127
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.06989417970180511
+OC(=O)CC[C@@H](C(=O)O)N,0.2435186803340912
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.23869185149669647
+CN1CCN(CC1)C,0.12935853004455566
+NNc1nncc2c1cccc2,0.8635242581367493
+OC(=O)c1cccc(c1Cl)Cl,0.08850808441638947
+ClCC(=C)Br,0.6216017007827759
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.3656490743160248
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7463913559913635
+CCOc1ccccc1N,0.5416355729103088
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.7785466909408569
+OC(=O)Cc1c[nH]c2c1cccc2,0.1829967051744461
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.1647995412349701
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.09771241992712021
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.8453032374382019
+Clc1nncc2c1cccn2,0.5527499318122864
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.7340472340583801
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.09505634009838104
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9108583331108093
+O=C([C@@H]1OC1)NCc1ccccc1,0.6478272080421448
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.17213016748428345
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.7237799167633057
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.320567786693573
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.17873883247375488
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.600614070892334
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.028340205550193787
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.17139485478401184
+O(Cc1cccc2c1cccc2)CC1CO1,0.9172784090042114
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.4249592423439026
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6709851026535034
+O=CCC(C)C,0.2814745008945465
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.7646650075912476
+OC1C=CC=CC1O,0.23787876963615417
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.11760443449020386
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.12476930767297745
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8398107290267944
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.03842412680387497
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8499542474746704
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.21362319588661194
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.05624691769480705
+NCCCN(CC)CC,0.3246656358242035
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.1101202592253685
+Nc1nnc(s1)S,0.6068702936172485
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.8431313633918762
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08013378083705902
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.14365148544311523
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.7852906584739685
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8490206599235535
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.5195069313049316
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8280521631240845
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9026089906692505
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.7964027523994446
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.31169208884239197
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.7317824363708496
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.8963394165039062
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9739606976509094
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.7898937463760376
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.875257134437561
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.17421434819698334
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.12356653064489365
+Cc1cc(N)c(cc1N)C,0.5100000500679016
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.5380842685699463
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.614091694355011
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.4944636821746826
+CCc1cc(cc(c1N)CC)c1ccccc1,0.506867527961731
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.779055118560791
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8206102252006531
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.20611819624900818
+OC(=O)/C=C/C=C/C(=O)O,0.28481560945510864
+OCc1cccc(c1)Oc1ccccc1,0.4786950647830963
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3882298469543457
+C1CC2=CC3C(C=C(C1)O2)O3,0.5070236921310425
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9034841656684875
+CCN(c1ccc(cc1)N)CC,0.7208182215690613
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.39384275674819946
+O1C[C@@H]1Cc1ccccc1,0.5232535004615784
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.5772050619125366
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8714890480041504
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.6373335719108582
+Fc1c(N)cc(c(c1Cl)F)Cl,0.5690677165985107
+O=C1C=C(O)c2c(C1=O)cccc2,0.3825238347053528
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8971599340438843
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.0640290379524231
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.8908499479293823
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8970584869384766
+C=Cc1ccccn1,0.1738549917936325
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.5173230171203613
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.3067350387573242
+Clc1cnc2c(c1)cccc2,0.44839295744895935
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.3160019516944885
+[O-][N+](=O)c1c(N)cccc1O,0.7219341993331909
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9462922215461731
+OC(=O)/C=C/C(=O)O,0.21761658787727356
+[O-][N+](=O)c1ccc(c(c1)C)C,0.6791979670524597
+ClC1=C(Cl)C(=O)OC1,0.546002984046936
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.09054408967494965
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.1650015115737915
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.15227238833904266
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.624002993106842
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.12327969074249268
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.7402111291885376
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.48098224401474
+CC[C@H](N)C,0.22207479178905487
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.8898369073867798
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.6359507441520691
+COc1ccc(cc1)N.Cl,0.6208170652389526
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.9061273336410522
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.22679392993450165
+Clc1ccc2c(c1)nc([nH]2)C,0.46833300590515137
+OC1C(O)C=Cc2c1cccn2,0.14716818928718567
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.6370356678962708
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.03601038455963135
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.15670792758464813
+CC(CC(O)C)C,0.05097882077097893
+OCCn1c(CO)ncc1[N+](=O)[O-],0.4339142441749573
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.04701530560851097
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.1445656716823578
+O=C1C=CC(=[N+]=[N-])C=C1,0.7411586046218872
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.796671986579895
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.2952321767807007
+c1ccc2c(c1)Sc1c(N2)cccc1,0.7456629872322083
+Cc1cccc(c1O)C,0.18148188292980194
+C=CCOC(=O)c1ccccc1N,0.4755059778690338
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.6990543007850647
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.7324619293212891
+O=Nc1ccc(cc1)C(=O)C,0.7905129790306091
+CN(CC(=O)O)C.Cl,0.08341801166534424
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5455002784729004
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.28477272391319275
+CCOC(=O)C[n+]1csc2c1cccc2,0.5477451682090759
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.21817061305046082
+O=C/C=C/c1ccco1,0.5073913931846619
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.12694324553012848
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.0796666145324707
+Fc1ccc2c(c1)c1ncccc1cc2,0.7185882329940796
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9542962312698364
+O=C1C(=O)c2c3c1cccc3ccc2,0.5329207181930542
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9461730718612671
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.34956270456314087
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.1558525264263153
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9586417078971863
+CN(/C=N/c1ccc(cc1C)Cl)C,0.641332745552063
+O=C/C=C\c1ccccc1OC,0.416959285736084
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.7885330319404602
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.34279727935791016
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.40650051832199097
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.16207903623580933
+CCCCCCCCCCCCCCCCCC(=O)N,0.13886359333992004
+OC(=O)c1cc2ccccc2cc1O,0.36187681555747986
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.7805749177932739
+ClCC(CCl)(CCl)CCl,0.22165994346141815
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.1213415116071701
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.2697933316230774
+O=C/C=C/c1ccccc1Cl,0.5395522117614746
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.3259391784667969
+Cc1ccccc1N,0.5516636371612549
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.02625623345375061
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.1734270602464676
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6620408892631531
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9709873199462891
+O=NN(Cc1ccc(cc1)Cl)C,0.8522611856460571
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.14036715030670166
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.15473021566867828
+CCN=[N+](C)[O-],0.7417962551116943
+CCOS(=O)(=O)C,0.35667452216148376
+NCCC(N)C,0.3055679500102997
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.05629028007388115
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5320853590965271
+C=CC(=O)OCCCCCCOC(=O)C=C,0.1302078366279602
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.3635224997997284
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7751823663711548
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.7879296541213989
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.8346096277236938
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.31651362776756287
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6401277780532837
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.0639011561870575
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.954425036907196
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.13543923199176788
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.2882319390773773
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.817416787147522
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5336436033248901
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.43267861008644104
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9469707608222961
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.15913823246955872
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9338794946670532
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5704242587089539
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8164899945259094
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.025863025337457657
+CN1CCNCC1,0.2535003423690796
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.2920181155204773
+C1CCC2C(C1)c1ccccc1CC2,0.31696996092796326
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.14344528317451477
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.920562744140625
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.6176604628562927
+O=S1(=O)OCCCO1,0.26728734374046326
+NC(=O)CN1C[C@@H](CC1=O)O,0.3554874360561371
+COC(=O)Nc1nc2c([nH]1)cccc2,0.27790597081184387
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9180381894111633
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.13620862364768982
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7063237428665161
+CC(CN(CC(C)C)N)C,0.5924324989318848
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9320051074028015
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.5580460429191589
+Clc1ccc(cn1)Cl,0.07787857949733734
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.8777137994766235
+Fc1cccnc1,0.12033364921808243
+COc1cc(N)ccc1NC(=O)C,0.5086263418197632
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.21811409294605255
+OC(=O)CBr,0.5146118402481079
+O=S1(=O)CC=CC1,0.5710358619689941
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.7283312678337097
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6516423225402832
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.09575982391834259
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.30642470717430115
+NC(C(=O)OC(C)(C)C)CN=N#N,0.6909688711166382
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.291226327419281
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.31559744477272034
+CC(C(CCl)Br)Br,0.6010363101959229
+CCCC(=C)C=O,0.18352094292640686
+O=Nc1ccccc1C,0.7765247821807861
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.4395994246006012
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.4550229012966156
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.13709791004657745
+Oc1cc(Cl)cc(c1)Cl,0.08460374176502228
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.2683887481689453
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.260240375995636
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.5873996019363403
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.22801189124584198
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.7573369145393372
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.40547555685043335
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.08521060645580292
+C/C=C/C1OC(=O)C=CC1O,0.1946094036102295
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7982756495475769
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.20180754363536835
+O=c1oc2c([nH]1)cccc2,0.3010093867778778
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.6508318185806274
+Oc1ccccc1c1ccccc1O,0.23776927590370178
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.17681947350502014
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.028838256374001503
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.3517346978187561
+OCCOC(=O)C=C,0.5176666975021362
+OCCCc1ccccc1,0.24657711386680603
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.3293456435203552
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.10480321943759918
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.3847042918205261
+CC(=O)[C@H](O)C,0.2804866433143616
+NNc1ccc(cc1)C(=O)O,0.39538663625717163
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.6055437326431274
+CC(=O)NO,0.33165451884269714
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.7653473019599915
+OCC1CCCO1,0.2713795602321625
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.09596920758485794
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8791616559028625
+O=C1C=C(N)c2c(C1=O)cccc2,0.7232489585876465
+CC(=N)S,0.3236387372016907
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.10030261427164078
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.6850833892822266
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.3209953308105469
+COC(=O)C1=C(CC)C(OC1=O)C,0.14711721241474152
+ClCC1=C(Br)C(=O)OC1,0.8272892236709595
+NNc1nncc2c1ccnc2,0.9136873483657837
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.81788170337677
+O=C1OCC1(C)C,0.23116818070411682
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.8468130826950073
+Nc1ccc(c(c1Cl)Cl)Cl,0.6197047829627991
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.12780573964118958
+CC1CCCO1,0.18422921001911163
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.1752004623413086
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.570422887802124
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.05664690583944321
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.14319434762001038
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.20966634154319763
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9723736643791199
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.6346012949943542
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.07445840537548065
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.7450372576713562
+[O-][N+](=O)c1ccc(c(c1)C)N,0.8739947080612183
+C/C=C\c1ccc(c(c1)OC)O,0.4307281970977783
+Clc1ccccc1,0.20977739989757538
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.47858554124832153
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.23287959396839142
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.4979453682899475
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.49248290061950684
+CC(=O)O,0.09904412180185318
+Cc1ccc(c(c1)O)C,0.20076462626457214
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9575710296630859
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.6643880605697632
+CCOc1nc(ns1)C(=O)O,0.2786444127559662
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.2154848873615265
+CC(=O)Nc1cccc(c1)C,0.20122520625591278
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.3835887312889099
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.06710915267467499
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.955707848072052
+BrCC(=O)NCc1ccccc1,0.6156387329101562
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.9233523607254028
+O=C(OC(C)(C)C)CN=N#N,0.7408819198608398
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.7871047258377075
+BrCCCCCCCC(=O)O,0.22171247005462646
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.13682720065116882
+N#CCc1ccc(cc1)Cl,0.20639796555042267
+CCN(N=O)CC,0.842599093914032
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.8932941555976868
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.23461902141571045
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7719446420669556
+O=S1CCOC(=C1C(=O)N)C,0.24167218804359436
+[O-]P(=O)(OC)O,0.2936856746673584
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9216040372848511
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7501546740531921
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.22155551612377167
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.38171619176864624
+NC(C(=O)NCC(=O)O)CS,0.3762989640235901
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.3731366991996765
+Clc1ccc(cc1)Br,0.18682825565338135
+CCN(c1ccccc1)N=O,0.7844751477241516
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.8276786804199219
+O=C(c1ccccc1N)OCCc1ccccc1,0.2863486409187317
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.29700154066085815
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.7154026031494141
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8566767573356628
+OC1C=CC2C(C1O)O2,0.7577790021896362
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.5960047841072083
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5516915917396545
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8566383123397827
+C=CCN(CC=C)N=O,0.6596460938453674
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.8921376466751099
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.28638505935668945
+Oc1c(O)cccc1O,0.299329936504364
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.49296408891677856
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.035863447934389114
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5706977248191833
+N[C@@H]1CCC[C@H](C1)N,0.14932410418987274
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.26453009247779846
+Nc1cccc2c1cc1ccccc1c2,0.9270626306533813
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.1319696009159088
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.469940721988678
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.1289770007133484
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.6486854553222656
+[O-][N+](=O)c1ccccc1C,0.7514120936393738
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.18922516703605652
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.36494776606559753
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.06191179156303406
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9491913914680481
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.25694990158081055
+Cn1nc(c(c1)C(=O)O)C(F)F,0.29038044810295105
+ClCc1cccnc1,0.5475160479545593
+O=c1nc[nH]c(=O)[nH]1,0.24382904171943665
+OC(=O)C(F)(F)F,0.09148244559764862
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8061345815658569
+COc1c2cc3OCOc3cc2nc2c1cco2,0.7046940922737122
+Nc1ccc2c(c1)cccc2,0.7442761659622192
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5228818655014038
+CNC(=O)ONC(=O)NC,0.4766836166381836
+c1ccc2c(c1)nccn2,0.5584369897842407
+[O-][N+](=O)c1cccc(c1O)N,0.8584165573120117
+CC(=O)N(c1ccccc1C)O,0.48559603095054626
+O=C(Nc1ccccc1)CC(=O)C,0.15204177796840668
+ClC(=O)c1ccccc1Cl,0.1815476268529892
+Nc1ccccc1S,0.41200119256973267
+N#CCCC#N,0.24729633331298828
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.17477241158485413
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.936886191368103
+Nc1c2ccccc2nc2c1cccc2,0.8241410255432129
+[S-]C(=S)NC.[Na+],0.6554531455039978
+C1CCO1,0.2928774058818817
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.6674709916114807
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.35271868109703064
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.2907361388206482
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.7378510236740112
+Oc1nsc2c1cccc2,0.33010250329971313
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9207518696784973
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.621759295463562
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.4378989636898041
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.14221222698688507
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9309137463569641
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.05103733018040657
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8251387476921082
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.78783118724823
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.11859600245952606
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.3385462164878845
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.0981852188706398
+COP(=S)(OC)OC,0.26124221086502075
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.06386451423168182
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.07927992194890976
+CC(=O)NNc1ccccc1,0.3069192171096802
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.11346913874149323
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.703606128692627
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.209457665681839
+c1cccs1,0.40268129110336304
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.594756007194519
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.8346807360649109
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.6196278929710388
+CCCON=O,0.6733142137527466
+Cc1ccc2c(c1C)cccc2,0.46783891320228577
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.6680667400360107
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.4870530962944031
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.8333903551101685
+ONc1ccc(c(c1)Cl)Cl,0.48192453384399414
+C1CCCCNC1,0.24658147990703583
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.9241348505020142
+Fc1ccccc1,0.2463347166776657
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.05584314465522766
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.03062434121966362
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.13424618542194366
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0971093624830246
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.0421040840446949
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.7277837991714478
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.1184314712882042
+Nc1cccc2c1nc1CCCCc1c2,0.7737330198287964
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8346871137619019
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9552950859069824
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.4663879871368408
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.48428454995155334
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.9007570147514343
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.7869194746017456
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6270630359649658
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.7533303499221802
+[O-][N+](=O)c1ccccc1C(=O)N,0.7921993136405945
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.2930219769477844
+ClCC=C,0.6114813685417175
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.920749306678772
+CN(CC[C@@H](N(C)C)C)C,0.14079228043556213
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.5133383274078369
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9649965167045593
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.1542971432209015
+Cc1ccccn1,0.1587584763765335
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.39668792486190796
+Clc1ccc(c(c1)Cl)Cl,0.14261946082115173
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.5417138934135437
+Cc1c(N)ccc(c1C)N,0.5056310892105103
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7173512578010559
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8540712594985962
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.6642006635665894
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9422138333320618
+CCCCCC(=O)OCC,0.21012231707572937
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.053767550736665726
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.884173572063446
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.674125075340271
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.054954517632722855
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.06240595504641533
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.5131047368049622
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8525293469429016
+CCOC(=O)C(CS)N,0.3683803677558899
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.8693291544914246
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.7212586998939514
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.5962014198303223
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5592918992042542
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.511642336845398
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.3656984269618988
+ClC(=O)c1ccccc1,0.26044097542762756
+CCCC[C@H](COCCC#N)CC,0.14362946152687073
+Oc1ccc(cc1)Cc1ccccc1O,0.1857798844575882
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.7814027070999146
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.017086908221244812
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.9516887664794922
+Clc1cccc(c1)[N+](=O)[O-],0.7256937026977539
+CCCCCc1cc(O)cc(c1)O,0.11803030967712402
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.18237237632274628
+Cc1c(C)ccc(c1C)C,0.061049915850162506
+[O-][N+](=O)[C@@H](CC)Cl,0.929125964641571
+NNc1ccc(cc1)[N+](=O)[O-],0.8960620164871216
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.34212809801101685
+OC[C@@H]1SCCN1N=O,0.9153715372085571
+CC1(OC1)c1ccccc1,0.4322459101676941
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.4179867208003998
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.04579873010516167
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7958506941795349
+CC(C(=O)N)Br,0.7773544788360596
+O=Nc1n(C)cnc1c1ccccc1,0.6768220663070679
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.35146403312683105
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.3956280052661896
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.06794693320989609
+OCC(C(C(C(C(=O)O)O)O)O)O,0.13519668579101562
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9517053365707397
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7904530763626099
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.8058489561080933
+Cl[C@@H](C=C)CCl,0.5395181179046631
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.09441813826560974
+CCCCCCCC[C@H]1CO1,0.6625891923904419
+Sc1nc2c(s1)cccc2,0.39385268092155457
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.13319674134254456
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.20944344997406006
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.42549484968185425
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8603636026382446
+BrCCOC(=O)C(=O)OCCBr,0.7204306125640869
+Clc1ccccc1Cl,0.1461362987756729
+Nc1cccc2c1c(O)nnc2O,0.6580050587654114
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9119256138801575
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.7096769213676453
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9330461621284485
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.48440471291542053
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8069183230400085
+O=C1CCCCCCCCCCCCCCO1,0.28958120942115784
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9472771883010864
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9148418307304382
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.11084626615047455
+C/C=C/CC#N,0.37963518500328064
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.16983582079410553
+Cc1nc2c(s1)cccc2,0.4446546137332916
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.890759289264679
+BrCC(c1ccccc1)Br,0.6343082785606384
+C=Cc1ccccc1Cl,0.1119571104645729
+Cc1cncc(n1)C,0.2276664674282074
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.34263214468955994
+CCOc1ccc(cc1)NC(=O)N,0.5039879679679871
+ClC(=C)C=O,0.5208806991577148
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.06676361709833145
+CCCC[N+](=O)[O-],0.41095033288002014
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.6874330639839172
+Nc1ccc(cc1)N,0.5320149660110474
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.059612978249788284
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.11504713445901871
+ClCCSCc1ccccc1,0.700944721698761
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9160568118095398
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.900261402130127
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.04807163029909134
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.6336601972579956
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7794580459594727
+NC(=S)NNC(=S)N,0.8252615928649902
+OC(=O)Cc1cccc2c1cccc2,0.1977594494819641
+CC(COC(=O)C(=C)C#N)C,0.13175907731056213
+CC([N+](=O)[O-])(Cl)C,0.65309077501297
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.7498515248298645
+OCCN(C(=O)OCC)N=O,0.7053073644638062
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.7592505216598511
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.8189474940299988
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8635560870170593
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9326578378677368
+CCC(=O)Nc1snc2c1cc(C)cc2,0.45432162284851074
+CCCCCCCCn1sccc1=O,0.3662969172000885
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7925800681114197
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.6423068642616272
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.6519478559494019
+COC(=O)COc1ccc(cc1Cl)Cl,0.388060063123703
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.15601304173469543
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.882941722869873
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.49070364236831665
+CC(Nc1snc2c1cccc2)C,0.5974261164665222
+ONc1nc(N)nc2c1[nH]cn2,0.5147123336791992
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.8535100817680359
+C1CCC2(CO1)CO2,0.2850200831890106
+O=C1c2ccccc2-c2c1cccc2,0.4567064642906189
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.11728115379810333
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.06278456747531891
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.0933690220117569
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.1471697986125946
+CCCCOC(=O)c1ccc(cc1)O,0.14248856902122498
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.4846406877040863
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.7148159146308899
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.1148766428232193
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.385522723197937
+ClC[C@@H](CBr)Cl,0.6744933128356934
+Clc1c(Cl)cccc1Cl,0.13332268595695496
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.917113184928894
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.0859980508685112
+FC(OC(C(Cl)F)(F)F)F,0.37094295024871826
+OC(=O)c1c(Cl)cccc1Cl,0.06736982613801956
+C/C=C/c1cc(OC)c(cc1OC)OC,0.35569751262664795
+Oc1ccc(cc1N)S(=O)(=O)C,0.45270293951034546
+CCC(CC(CC(Cl)C)Cl)Cl,0.29629573225975037
+O/N=C/C(=O)Nc1ccccc1,0.4404384195804596
+O=S1(=O)CCCO1,0.26032060384750366
+O=C1NCC(=O)N1,0.34695085883140564
+CCCC(=O)C,0.15620124340057373
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.25277870893478394
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8088801503181458
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9355505704879761
+CCOS(=O)(=O)OCC,0.2881688177585602
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6073647737503052
+N[C@@H]1CC[C@H](CC1)N,0.22738246619701385
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.3889797031879425
+Oc1cc2ccccc2c(c1)O,0.27680522203445435
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.6605758666992188
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.20761391520500183
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.5055017471313477
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.23679077625274658
+O1C(C1c1ccccc1)c1ccccc1,0.5394692420959473
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.6769682168960571
+O=C(C(Br)(C)C)Nc1ccccc1,0.1908671259880066
+COC(=O)C(=C)C,0.2551531195640564
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.3742141127586365
+COc1ccc2c(c1)sc(n2)N,0.8203261494636536
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.7822200655937195
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.976052463054657
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.9093719720840454
+CN(N)C,0.6929858922958374
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.7668917179107666
+CC(O)(C)C,0.07721482217311859
+BrCc1ccccc1[N+](=O)[O-],0.9099437594413757
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.1360418200492859
+BrC/C=C\CBr,0.765506386756897
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.7192143201828003
+[O-][N+](=O)c1ccccc1O,0.6298738718032837
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8329324722290039
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8237775564193726
+[O-][n+]1c2ccccc2nc2c1cccc2,0.83570796251297
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.1042143851518631
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.6225478649139404
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4809363782405853
+CCc1cnccn1,0.21512286365032196
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.5387890338897705
+OCC=O,0.61735999584198
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.4079550802707672
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.2940535247325897
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9586106538772583
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.6998627781867981
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.5974224805831909
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.7223412990570068
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.38039377331733704
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.8437660336494446
+Nc1cnc2c(c1)nc1n2cccc1,0.7334352731704712
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.22687101364135742
+CC(=O)OCc1ccco1,0.21778449416160583
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.5526320338249207
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.8665717840194702
+CN=NO,0.6333425641059875
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.12632104754447937
+c1ccc(cc1)c1ccccc1,0.27595195174217224
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8144428133964539
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7717618346214294
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.7904998064041138
+CC(CN(CC(C)C)CC(C)C)C,0.15649059414863586
+CCCC[C@H](COCCCN)CC,0.17603424191474915
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.09913704544305801
+C=COC(=O)C=C,0.3913138806819916
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.6625909805297852
+O=NN(C)C,0.9087675213813782
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.413247287273407
+CC(=O)C(Cl)(Cl)Cl,0.2730501592159271
+Cc1cc(ccc1N)c1ccccc1C,0.6844189167022705
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.5163033604621887
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.36232441663742065
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.16221220791339874
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.2685745656490326
+CC(c1ccccc1)CN=N#N,0.5838640332221985
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.7270311117172241
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.2770330309867859
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.32925572991371155
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.7928708791732788
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.13398024439811707
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.22181959450244904
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.12266411632299423
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.7912100553512573
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.713197648525238
+CCCCCCCCOC(=O)C(=C)C,0.08321599662303925
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9506915807723999
+CCCCCO,0.12224020808935165
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.40968912839889526
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.029095346108078957
+N#N=Nc1nc2c([nH]1)cccc2,0.8420443534851074
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.11603591591119766
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.45779353380203247
+OC(=O)CN(CC(=O)O)CC(=O)O,0.11483395099639893
+O=NN1CCC=CC1,0.7325888276100159
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.7571405172348022
+Cc1cccc(c1)[N+](=O)[O-],0.757864236831665
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.8846133947372437
+ONc1ccc(cc1)/N=N/c1ccccc1,0.7462835311889648
+NC(=O)/N=N/C(=O)N,0.7483772039413452
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.5329683423042297
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.7804869413375854
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.3519766926765442
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9074649810791016
+Nc1ccc(cc1C)S(=O)(=O)O,0.17617669701576233
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.5137981176376343
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.4997088313102722
+CN[C@@H]([C@H](c1ccccc1)O)C,0.16346010565757751
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.31521010398864746
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.5711389183998108
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9326692819595337
+OC[C@H]([C@H](CO)O)O,0.2018853724002838
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.4052383005619049
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.788476288318634
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.8387736082077026
+Cc1nsc(c1)N,0.4702010750770569
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.47997745871543884
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.7540918588638306
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.19593296945095062
+ONc1cc[n+](c2c1cccc2)[O-],0.756186842918396
+CCOc1cccc2c1nccc2,0.5796586871147156
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.028377342969179153
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.764033317565918
+FC(C(F)(F)F)(Cl)F,0.028355831280350685
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.14242208003997803
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9677948951721191
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.03290881961584091
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.6657768487930298
+ONc1ccccc1c1ccccc1,0.4590476155281067
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.8525217771530151
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.10358218848705292
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.08917329460382462
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.5191095471382141
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.46986445784568787
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.3947194814682007
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.12513203918933868
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.18062931299209595
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.0808626264333725
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.2862361669540405
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.8749048113822937
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.6695414781570435
+O=C1NS(=O)(=O)c2c1scc2,0.09097425639629364
+Cc1ccc2c(c1)cccn2,0.41601133346557617
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.637094259262085
+Oc1ccccc1c1ccccc1,0.2339801788330078
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.22194251418113708
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.777424156665802
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.09238331764936447
+CCCCC=O,0.28101691603660583
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.9471136331558228
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7300580143928528
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.9262064099311829
+Nc1ccc2c(n1)no[n+]2[O-],0.8355652093887329
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.20474672317504883
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.1657841056585312
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.206047922372818
+OCC(C)C,0.16363918781280518
+CC(C(=O)Nc1ccccc1)Br,0.5734161138534546
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.6282142400741577
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.6310125589370728
+[O-][N+](=O)c1ccc2c(c1)csn2,0.7740239500999451
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.04788896441459656
+COc1ccc(c(c1)OC)N.Cl,0.49282321333885193
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.5352669954299927
+Nc1ncnc2c1nc[nH]2,0.36539167165756226
+OC(=O)c1ccccc1C(=O)O,0.13874712586402893
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.60441654920578
+CCCCOc1ccc(cc1)CC(=O)NO,0.23713910579681396
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.8571267127990723
+COc1ccc(cc1N)[N+](=O)[O-],0.9437249898910522
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.7006751298904419
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.7670415043830872
+c1ccc2-c3ncsc3CCc2n1,0.5539060831069946
+O=CNc1ccccc1,0.2428334653377533
+OCCN(CCO)CCO,0.19064365327358246
+CC(C(=O)Nc1ccccc1)C,0.19972258806228638
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.26467961072921753
+CC1CCCC1,0.07626916468143463
+C[C@H](CBr)O,0.6458922624588013
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.20738916099071503
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6564685106277466
+CC(OOC(C)(C)C)(C)C,0.21280090510845184
+C1CCCC2C(CC1)O2,0.4446871280670166
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.320596307516098
+N#Cc1ccccc1[N+](=O)[O-],0.5881624817848206
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.7741954922676086
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.46831637620925903
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.5602100491523743
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.8313787579536438
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.6656858325004578
+CC[C@H](OS(=O)(=O)C)C,0.20679064095020294
+CCCCCCOC(=O)C=C,0.1516694277524948
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.3817364275455475
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.16847804188728333
+CCOC(=O)[C@@H](O)C,0.27134159207344055
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.9094797968864441
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.9502792358398438
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.33231908082962036
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.09427084028720856
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.10704182088375092
+NCCCl,0.8911444544792175
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.7099533081054688
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5134644508361816
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.20234310626983643
+OC(=O)C(Oc1cccc2c1cccc2)C,0.32058635354042053
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.12187405675649643
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.16947299242019653
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.5743434429168701
+OC(=O)C(CCS(=O)(=N)C)N,0.09799104183912277
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.4423084259033203
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.19188815355300903
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.15647561848163605
+CCC([N+](=O)[O-])CC,0.5333260893821716
+CCN(/C(=N/O)/C=O)N=O,0.8669420480728149
+CN(N=Nc1ccccc1)C,0.7037174105644226
+NC(=N)NC#N,0.5347772836685181
+OCc1c(CO)cnc(c1O)C,0.12376642227172852
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8926237225532532
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.7095863223075867
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.49572187662124634
+COC(=O)C(Cl)Cl,0.805458664894104
+CC(Br)(C)C,0.02934965118765831
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.9485599398612976
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.22865507006645203
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.7922382354736328
+CCCCCC/C=C\CCCCCCOC(=O)C,0.1887180209159851
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.10294681787490845
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.8135350942611694
+CC(=O)Nc1snc2c1cccc2,0.4184585213661194
+Cc1ccccc1,0.16335931420326233
+CC(COC(=O)Cc1ccccc1)C,0.1780376136302948
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.5812231302261353
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.44566720724105835
+Fc1ccccc1c1ccccc1,0.20970658957958221
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5757653117179871
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.8625786900520325
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.4446493685245514
+Clc1ccc(c(c1Cl)O)Cl,0.11491258442401886
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.8274270296096802
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.868002712726593
+CCCC[C@H](COC[C@H]1CO1)CC,0.6162274479866028
+Cc1ccc2c(n1)cccc2,0.34901827573776245
+Nc1nc2c(n1C)ccc1c2nccc1,0.8474552035331726
+CCCCOCC=O,0.4158986210823059
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.13996849954128265
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.488116592168808
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.14881634712219238
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5865787267684937
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.36994996666908264
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.8802757263183594
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8306311368942261
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.47384557127952576
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.1414157897233963
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.049042683094739914
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.952914834022522
+Clc1cccc(c1)C(F)(F)F,0.06858609616756439
+CCOC(=O)c1cccc2c1nccc2,0.5571607351303101
+O=C/C(=C\c1ccccc1)/C,0.3615937829017639
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8893430829048157
+ClCCOC(=O)C=C,0.7231540679931641
+OCCN(C)C,0.16471584141254425
+N/N=c/1\sc2c(n1C)cccc2,0.6918535828590393
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.3971603512763977
+NCC1(C)CC(N)CC(C1)(C)C,0.10758105665445328
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7118092179298401
+O=Cc1ccccc1,0.32976266741752625
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.21348758041858673
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.45004430413246155
+BrCC(CBr)Br,0.3624500632286072
+Fc1cccc2c1cccn2,0.269292414188385
+CCCCCCCCCCCCN(N=O)C,0.6076229810714722
+O1CCN(CC1)SSN1CCOCC1,0.45547419786453247
+O=NN(C(C(=O)C)OC(=O)C)C,0.8518602252006531
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.5847803354263306
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.09732256829738617
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.4574315547943115
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9531478881835938
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.07184096425771713
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.46602195501327515
+C/C=N/N(C=O)C,0.8954383730888367
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.2706010639667511
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8387120962142944
+OC(=O)CN=N#N,0.5244234800338745
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7516964673995972
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.1039513573050499
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9457356333732605
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8366121053695679
+OC(=O)c1ccc(c(c1)N)C,0.27117401361465454
+CCOc1ccc(cc1)N(C(=O)C)O,0.4897679388523102
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.7791701555252075
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.5344422459602356
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6056492328643799
+c1ccc(cc1)CN1CCN=N1,0.6759433150291443
+CCCCN,0.20719508826732635
+CCN(C(=N)N[N+](=O)[O-])N=O,0.8447100520133972
+Cc1c(C)cccc1O,0.17404359579086304
+OC(=O)c1ccccc1O,0.0741221234202385
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.04738907888531685
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.37815061211586
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.0270928293466568
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.5724536776542664
+Nc1ccc2c(c1)c1ccccc1cc2,0.8935467600822449
+n1ccc(cc1)c1ccccn1,0.31008273363113403
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.1802719533443451
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.4885551333427429
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.28301548957824707
+CC(CCCCCCCOC(=O)C(=C)C)C,0.08111913502216339
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.19307391345500946
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.3188707232475281
+NCCS,0.4690134525299072
+C[C@@H](c1ccccc1)Br,0.36184412240982056
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.3977808952331543
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.8530680537223816
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.8185890913009644
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.8232511281967163
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6313165426254272
+O=NN(C(=O)O/N=C(\SC)/C)C,0.8571545481681824
+CC(=O)Nc1ccc(c(c1)N)C,0.4611227512359619
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.5492888689041138
+OC(=O)CCCC(=O)O,0.08764474093914032
+O=c1[nH]cnc2c1cccc2,0.24084511399269104
+N#Cc1ccccc1C#N,0.1868176907300949
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.25392651557922363
+Cc1ccc(cc1)C,0.11372485011816025
+CCSCC[C@@H](C(=O)O)N,0.3204275667667389
+Cc1ccc2c(c1C)c1ccccc1cc2,0.7484267950057983
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.08920443058013916
+C/C=C/c1ccc2c(c1)OCO2,0.5108034014701843
+OC(c1ccccc1)CN=N#N,0.7286325693130493
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9502226114273071
+CC(CNCC(C)C)C,0.22364063560962677
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9378256797790527
+Brc1cccc(c1)[N+](=O)[O-],0.6361913681030273
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.15780867636203766
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9078214764595032
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.05962177366018295
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.912604033946991
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.5145036578178406
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.15985563397407532
+c1cc(OCC2CO2)c2c(c1)cns2,0.7496907114982605
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.15064050257205963
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.8666532635688782
+CC(=O)c1ccco1,0.2772541046142578
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.4273662567138672
+OC(=S)c1ccccc1,0.27454617619514465
+C[C@H]([C@@H](CCl)Br)Br,0.5936077237129211
+Clc1ccc(cc1)CC[C@@H]1OC1,0.7313257455825806
+Clc1cccc(c1)NC(=O)N(C)C,0.321642130613327
+O=NN(Cc1ccc(cc1)F)C,0.8104513883590698
+BrCC(=O)c1ccccc1,0.6404094099998474
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.6073826551437378
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9700587391853333
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.35496845841407776
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.806489109992981
+NC(=O)NNC(=O)N,0.6326806545257568
+OCc1nc(N)nc(c1)C1CC1,0.37387722730636597
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.7638390064239502
+O=NN1C[C@H](C)C(=O)NC1=O,0.5373464226722717
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.2827226519584656
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.8135173916816711
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.6911150217056274
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.876641571521759
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.819340705871582
+CC(Br)C,0.1581372320652008
+CCOP(=O)(OCC)OCC,0.15800949931144714
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.5588201880455017
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.8365405797958374
+O[C@@H]1COC(=C(C1=O)O)C,0.1709207445383072
+Nc1ccccc1O,0.37641996145248413
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.04379667714238167
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.6507078409194946
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.7638337016105652
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9850984811782837
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.3527013659477234
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.08130987733602524
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.7650197148323059
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.7261697053909302
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.460667222738266
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.8217471241950989
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.797559380531311
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8485006093978882
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.03354354947805405
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.6239967942237854
+O=Cc1cccc(c1)Cl,0.35969457030296326
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.22980523109436035
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.42650270462036133
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.3936203420162201
+N#Cc1c(Cl)cccc1Cl,0.2165611982345581
+OC(=O)C[N+](C)(C)C,0.036168597638607025
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.488116592168808
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.30223560333251953
+Cc1ccncc1,0.2063167542219162
+COP(=O)(NC(=O)C)SC,0.5685413479804993
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.5782796144485474
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9564758539199829
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.5616382956504822
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.5852879285812378
+OCCN(N=O)CCO,0.6295706033706665
+CCCN=NC(OO)(C)C,0.5523635745048523
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.3567937910556793
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09962473064661026
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.9015544652938843
+Cc1ccccc1OC[C@H]1CO1,0.7680476903915405
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.41430172324180603
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.0863543450832367
+OCC(C(CO)O)O,0.2018853724002838
+BrCCCBr,0.34345611929893494
+C1OC(=O)C=C1,0.4366687834262848
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.11321304738521576
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.20507946610450745
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.4658966660499573
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.5568554401397705
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.179122656583786
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.09634480625391006
+NNc1scc(n1)c1ccc(cc1)N,0.8169568777084351
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9548260569572449
+COc1cccc2c1nc1occc1c2OC,0.5772081613540649
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.16921068727970123
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7707324624061584
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.28747057914733887
+C=CC=C,0.2858232855796814
+OC(=O)Cc1ccc(cc1)Cl,0.0908125564455986
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9235892295837402
+Clc1cccc2c1oc1c2cccc1,0.49520474672317505
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.0888928771018982
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9087464213371277
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.40617719292640686
+O=C/C(=C/c1ccccc1)/Br,0.5004803538322449
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.036781225353479385
+COC(=O)N,0.6266153454780579
+OC/C=C(/CCC=C(C)C)\C,0.1643199324607849
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.1231381893157959
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.15747888386249542
+Fc1cc2cccnc2c2c1nccc2,0.47777122259140015
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.4718204438686371
+OC/C=C/c1ccccc1,0.452220618724823
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.06476620584726334
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7369455099105835
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.6552709937095642
+O=Cc1ccc(cc1Cl)Cl,0.3012791574001312
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.4960915148258209
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.8342466354370117
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.13735300302505493
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9606581926345825
+CCOc1ccc2c(c1)sc(n2)N,0.8318213224411011
+C1CCNC(=O)N1N=O,0.6729162335395813
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.029423046857118607
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.5980334877967834
+OCc1c2ccccc2c(c2c1cccc2)C,0.7045585513114929
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.10920543968677521
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.5872231721878052
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.27719467878341675
+O=Cc1ccc(cc1)O,0.3108864724636078
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.07060134410858154
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.7775272130966187
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.09774626791477203
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.8667208552360535
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.4039490818977356
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.07929469645023346
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.25125157833099365
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.03219995275139809
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.11910407245159149
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.6880698800086975
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.2312755137681961
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.7355749607086182
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.7100893259048462
+BrCC1=C(Cl)C(=O)OC1,0.7963569164276123
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6288888454437256
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.6819337010383606
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.24727916717529297
+O=CN(C(=O)N(C)C)C,0.5025376081466675
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9318522214889526
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.28865113854408264
+OC(=O)[C@H](Br)Cl,0.7784372568130493
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8232961893081665
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.27768102288246155
+C=Cc1ccc(cc1)[N+](=O)[O-],0.5879982113838196
+CCCC(=O)OCC,0.2531546950340271
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9560345411300659
+ON(c1ccc(cc1)Cl)C(=O)C,0.47129788994789124
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9151718020439148
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.5377871990203857
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.23948852717876434
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.8818529844284058
+Clc1cc(Cl)nc(n1)N,0.3410951495170593
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.7063308954238892
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6500528454780579
+O=C1C=CC(=O)c2c1cccc2,0.4356100559234619
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6069250702857971
+CCC(C(=O)NC(=O)N)(CC)Br,0.2922232747077942
+[O-][N+](=O)CCC,0.5783418416976929
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.8108728528022766
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.26139354705810547
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.5216047167778015
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9695526361465454
+ClC(=O)OCc1ccccc1,0.31487077474594116
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9142261743545532
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6303004026412964
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.13040193915367126
+OC(=O)c1ccccc1Cl,0.07458005100488663
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.39250048995018005
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.31969693303108215
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.5576995015144348
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6684356927871704
+ClCc1ccc(cc1)C,0.5430533289909363
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.1232716292142868
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.6657768487930298
+O=NN(CCCC(=O)c1cccnc1)C,0.45524293184280396
+OC(=O)c1ccccc1O.[Na+],0.0741221234202385
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.7447473406791687
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.7646549940109253
+Nc1ccc(c(c1)C(=O)O)O,0.30709853768348694
+c1ccc2c(c1)nccc2,0.5037615895271301
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.6549775004386902
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.3758727014064789
+CCCCCC(=O)N,0.21225714683532715
+Cc1cccc(c1)O,0.17708617448806763
+COc1nncc2c1cccn2,0.5706599354743958
+C/C=C/c1cccc(c1OC)OC,0.45706257224082947
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.5815285444259644
+OCCCCCl,0.5088897943496704
+NCCNCC,0.5664324760437012
+CCc1nccc(c1)C(=S)N,0.34386882185935974
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.451993465423584
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.8682788014411926
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.5723217725753784
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.7873953580856323
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.4713059067726135
+O=Nc1ccc(cc1)Oc1ccccc1,0.7366737127304077
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.2017081081867218
+C1COC1=O,0.31150245666503906
+CCC(C)(C)C,0.023436006158590317
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.040994368493556976
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.8630372285842896
+CC1=CC(O)C2CC1C2(C)C,0.03913870081305504
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7609593868255615
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.17866964638233185
+NC(=O)Nc1nc2c([nH]1)cccc2,0.5521823167800903
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.09581208229064941
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9479196667671204
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.41890230774879456
+CC1=CC(=O)c2c(C1=O)cccc2O,0.45210012793540955
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.940287709236145
+COC1=CC(=O)C=CC1=O,0.4136672914028168
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.5753757953643799
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.04774116352200508
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.48544663190841675
+COCCCN,0.3560526371002197
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7038682699203491
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.06726475059986115
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.5617038011550903
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.31919190287590027
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.3161191940307617
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.6327201724052429
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.1042894572019577
+OC(=O)C(Cn1cncc1)N,0.12236356735229492
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.5481611490249634
+Clc1ccc(c(c1)N)N,0.6930673718452454
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.5614203214645386
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.4992089867591858
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.8887447118759155
+Clc1ccc(c(c1)N)C,0.586326003074646
+Nc1cccc2-c3c(Cc12)cccc3,0.7193543314933777
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.2709154486656189
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.037115078419446945
+O=C1CCCN1C,0.46431389451026917
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.040092796087265015
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.632020890712738
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8267790675163269
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.505132794380188
+Oc1cccc(c1)O,0.10715050995349884
+CSSC,0.1518421471118927
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.8064095377922058
+CCc1nn(c(c1Cl)C(=O)N)C,0.07427488267421722
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.2661888599395752
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.7843834757804871
+ClCc1cnc(nc1Cl)Cl,0.38571757078170776
+O=C/C=C/C(O)C,0.3653523027896881
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8991338610649109
+O=C1NC(=O)c2c1cccc2,0.1188274621963501
+C/C=C\C=O,0.5382013320922852
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.22254511713981628
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.9126423597335815
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.7803131341934204
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8911833763122559
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.19159415364265442
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.8122994303703308
+Cc1ccc(c(c1)N)N,0.6320182681083679
+CCN(C(=O)c1cccc(c1)C)CC,0.41135573387145996
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.11421694606542587
+C[C@@H]1O[C@H]1c1ccccc1,0.5395365953445435
+O=Nc1ccc(cc1)c1ccccc1,0.7436395883560181
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.4041145443916321
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.2852485477924347
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.31412553787231445
+CC(Cc1nccs1)C,0.08323828876018524
+O=CC1=CC[C@H](CC1)C(=C)C,0.16889150440692902
+OC(=O)CS.[Na+],0.1416497528553009
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.09974495321512222
+OC(=O)C1CC1,0.3099871873855591
+CC(C(=O)OC)CN=N#N,0.8139464259147644
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7393673658370972
+CNc1ccc(cc1)O,0.3598083257675171
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.22407075762748718
+OCCCCN(N=O)CC,0.7989758253097534
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.34366509318351746
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.963594913482666
+NCCCN1CCN(CC1)CCCN,0.23792335391044617
+CCN(N(N=O)O)CC,0.8217272758483887
+c1ccc2c(c1)Sc1c(O2)cccc1,0.5028093457221985
+OCCN(C(=O)Nc1ccccc1)C,0.2571904957294464
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.5872632265090942
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8366754651069641
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.5796061754226685
+Nc1nc(N)c2c(n1)nc[nH]2,0.4922252595424652
+c1ccc[nH]1,0.24568477272987366
+CC(=O)OCc1ccc2c(c1)OCO2,0.41981402039527893
+c1ccc2c(c1)[nH]c1c2ccnc1,0.5576512217521667
+O=c1cc(n(n1c1ccccc1)C)C,0.4834384322166443
+Clc1ncccc1Cl,0.14268970489501953
+Cc1cc(N)cc(c1)N,0.45431795716285706
+Cl/C=C(\SCc1ccccc1)/Cl,0.6243756413459778
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.6975375413894653
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9723688960075378
+OC(=O)[C@@H]1CSCN1,0.15156830847263336
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.626986026763916
+CCBr,0.20671911537647247
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.7057235836982727
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.802248477935791
+CCC1(C)CO1,0.6204806566238403
+CC1=CC1,0.4497109055519104
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8090945482254028
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8531076312065125
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.6665583252906799
+Nc1ccc(cc1)C(=O)N,0.34836238622665405
+O=NN1CCCCCCCCCCCC1,0.7681258916854858
+CNC(=O)C1=NN=C([CH]1)Br,0.6605755090713501
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9673005938529968
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9104477763175964
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.068597212433815
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.2372206747531891
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.8259652256965637
+CCN(CC)N,0.7038723826408386
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.31752151250839233
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.09302373230457306
+Cc1cc(C)cc(c1)O,0.09886552393436432
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.6135533452033997
+OCCc1ccc(cc1)[N+](=O)[O-],0.6599688529968262
+O=C1CC(=NN1c1ccccc1)C,0.5106590986251831
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.5290576815605164
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.8878220319747925
+Clc1cc(Cl)c(cc1Cl)Cl,0.06238491088151932
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.8597936630249023
+C1CCC=CC1,0.11383567005395889
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9400185346603394
+CCCCCl,0.36370164155960083
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.3537203073501587
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7650482058525085
+COP(=S)(OC)Cl,0.3201417326927185
+Clc1ccc2c(c1)cccn2,0.4365728497505188
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.40781283378601074
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.19346165657043457
+ClC=C(C)C,0.6496915817260742
+COc1ccc(cc1N)C,0.529477596282959
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.4185197949409485
+c1ccc(cc1)NN=Nc1ccccc1,0.7255058884620667
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.448460191488266
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.17436723411083221
+C=CC(=O)OCCCCOC(=O)C=C,0.20971903204917908
+ClCCCCN(COC(=O)C)N=O,0.9293400049209595
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8617615699768066
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9268425703048706
+CCc1ccccc1[N+](=O)[O-],0.6557401418685913
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.14355093240737915
+CCCCCCCCCC[C@@H]1OC1,0.601242184638977
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.6045013666152954
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.21348758041858673
+C/C=N\O,0.5459754467010498
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.6026540994644165
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.1799754798412323
+CNC,0.22712735831737518
+CN1CCC=C2C1CCc1c2nc(s1)N,0.6245402693748474
+OCC=C,0.22729019820690155
+C1CCC2C(C1)c1ccccc1C=C2,0.3517845869064331
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8487087488174438
+[O-][N+](=O)c1ccnc2c1cccc2,0.7961834669113159
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.42983904480934143
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.19298210740089417
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.1074826717376709
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.20381894707679749
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.21106286346912384
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.043412934988737106
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.8553457260131836
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.6610431671142578
+O=NN(Cc1cccc(c1)C)C,0.7813234925270081
+ONc1ccc(cc1C)C,0.44815048575401306
+ClCCOP(=O)(OCCCl)OCCCl,0.563027560710907
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.6425158977508545
+Clc1cccc2c1cccn2,0.34185630083084106
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.48138728737831116
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.7099140882492065
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9364059567451477
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.0251308586448431
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.7296380400657654
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.10945896804332733
+BrCC(=C)Br,0.4514140188694
+CC(=C)C(=O)OC[C@H]1CO1,0.5435532927513123
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.13454535603523254
+C=CCc1ccccc1OCC(CNC(C)C)O,0.13496766984462738
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.5495132803916931
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9147946238517761
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.20062601566314697
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.04104766249656677
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.16719572246074677
+CNC(=O)c1cccnc1S(=O)(=O)N,0.25398439168930054
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.050746213644742966
+CC(=O)c1ccccc1,0.21556930243968964
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.3587791323661804
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.8360334634780884
+Cc1ccc2c(c1)ccc(=O)o2,0.46736153960227966
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.2417902648448944
+NNc1nnc(c2c1cccc2)NN,0.8108728528022766
+CC(CC1NC(=O)CNC1=O)C,0.1173916608095169
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.40220221877098083
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.8611974716186523
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.5643640756607056
+OC(=O)c1c(N)cccc1N,0.2408183068037033
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9438408017158508
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.348743736743927
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4215000569820404
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.6135353446006775
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.06053351238369942
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.21004155278205872
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3407667577266693
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.11201856285333633
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8204313516616821
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.4996231198310852
+Nc1sc2c(n1)c(Cl)ccc2,0.7065939903259277
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5724536776542664
+CC[S@@](=O)CCSP(=O)(OC)OC,0.47041526436805725
+CCOC(=O)CBr,0.6925972104072571
+Fc1ccc2c(c1)cccn2,0.3183085322380066
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.5498937964439392
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.2282206267118454
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.3079816699028015
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.3212442100048065
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.9473811388015747
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.5331758260726929
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.09117178618907928
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.16067656874656677
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8500980138778687
+O=C(Nc1ccccc1C)CC(=O)C,0.21342360973358154
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.7651013135910034
+Fc1cc2ccccc2c2c1cccn2,0.49489039182662964
+CCCCCCCCCCCCCO,0.11183192580938339
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.333904504776001
+CCCCCC(/C=C/C=O)O,0.3016163408756256
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.8388606905937195
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.3210374712944031
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5533949732780457
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.06544823944568634
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9338110089302063
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.9206717610359192
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9726832509040833
+N#CC(N=NC(C#N)(C)C)(C)C,0.43372756242752075
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.6613113880157471
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.46970564126968384
+OC(=O)CCCCCCCCC(=O)O,0.04955483600497246
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9573270082473755
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.41424351930618286
+[O-][n+]1cccc2c1cccc2,0.6357927322387695
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.035302795469760895
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.3186589479446411
+COC(=O)c1oc(c(c1Cl)Cl)N,0.4092181324958801
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.4357985556125641
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.21771521866321564
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5552743077278137
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.024149984121322632
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.8017171025276184
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.058255456387996674
+Nc1nc(NC2CC2)nc(n1)N,0.547846794128418
+NC(=S)N,0.4862223267555237
+ClCC(CCl)O,0.7039843797683716
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.38364261388778687
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.1263902187347412
+CCOc1ccc(cc1N)N,0.7521628141403198
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.19135889410972595
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.16435888409614563
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.17497391998767853
+OCc1ccc(cc1)OC(=O)C,0.2226567268371582
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.11015595495700836
+O=NN(Cc1cccc(c1)OC)C,0.9150691032409668
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.6370137929916382
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.718664824962616
+ONc1cc(C)ccc1C,0.4949442446231842
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.7946875691413879
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6637125015258789
+CN(C=O)N,0.9208787083625793
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.20975708961486816
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.32927650213241577
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.20320916175842285
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8669086694717407
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.27582883834838867
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.29402926564216614
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9267243146896362
+O=Cc1ccccc1Cl,0.2902778387069702
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.709682822227478
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.2679367959499359
+OCCCCCCC/C=C/C=C/C,0.2656432092189789
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.5308823585510254
+CCCCCCCCC,0.08427544683218002
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9418826103210449
+CN(NC(=O)CCC(=O)O)C,0.30782103538513184
+O1C[C@@H]1COc1ccccc1,0.7235118746757507
+CC(c1ccccc1)Br,0.36184412240982056
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.17855286598205566
+COc1nsc2c1cccc2[N+](=O)[O-],0.7836561799049377
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.3021603524684906
+O=c1ccc2c(o1)cccc2,0.32503193616867065
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.8908708691596985
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.24532774090766907
+CCOc1ccccc1OCC1CNCCO1,0.2206559181213379
+OCCN(c1ccc(cc1)C)CCO,0.2672194838523865
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.6828117966651917
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8160408139228821
+OC[C@@H](CCl)O,0.7607793807983398
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8832453489303589
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.8144887089729309
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.11077137291431427
+N#Cc1cc(Br)c(c(c1)Br)O,0.2494085729122162
+Cc1ncc2c(n1)CCC2,0.17400607466697693
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.19856731593608856
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.8534818887710571
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.06265202164649963
+Nc1nc(N)c2c(n1)[nH]cn2,0.4114615321159363
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.07077667117118835
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.17403143644332886
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9599761962890625
+CCCCCOC(=O)C=C,0.15487106144428253
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.27575522661209106
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9230284690856934
+O=CC1C=COC=C1,0.3798115849494934
+CCCCN(CCC(=O)OC)N=O,0.7744432687759399
+C1CC[C@@]2(CO1)CO2,0.29924672842025757
+CC(=O)Nc1ccc2c(c1)cccn2,0.5087707042694092
+Nc1cccc2c1snc2,0.6595991253852844
+C[C@H](C(=O)N)Br,0.7912064790725708
+[O-][n+]1ncc2c(c1)nccc2,0.6517243385314941
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.5441141128540039
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.5475304126739502
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.3180786073207855
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8781805038452148
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.25508007407188416
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.0786566287279129
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.8755890727043152
+S=C(Nc1ccccc1)Nc1ccccc1,0.20852546393871307
+O=NN(C(=O)N)CC(=O)O,0.702488899230957
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.7031797170639038
+ClCc1ccc(cc1)F,0.43720778822898865
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9674583673477173
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.7825301289558411
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.82928866147995
+c1ccc(nc1)c1cccnc1,0.28787797689437866
+Cc1ncc[nH]1,0.1291685700416565
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.09725133329629898
+CNC(=O)Nc1ccc(cc1)C(C)C,0.20256133377552032
+Cc1ccc2c(c1)ccc1c2cccc1,0.8145574331283569
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.4342300295829773
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.07902456820011139
+CCOC(=O)CNC(=O)CBr,0.6677125096321106
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.4101877212524414
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.6702558398246765
+CC(=O)CCOOCCC(=O)C,0.5399896502494812
+Nc1ccc(cc1)/C=C/c1ccccc1,0.698043704032898
+O=NN(c1ccncc1)C,0.5982345938682556
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9666913747787476
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.12041498720645905
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9189043045043945
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.6374468803405762
+CON(C(=O)Nc1ccc(cc1)Br)C,0.5466625094413757
+Nc1ccc2c(c1)nccc2,0.6908599138259888
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.3713507056236267
+O=c1oc2cccc3c2c2c1cccc2cc3,0.7551132440567017
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.8178105354309082
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.1162429228425026
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.6636048555374146
+Nc1ccc(cc1)S(=O)(=O)N,0.29390937089920044
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.48897266387939453
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.22804959118366241
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.16942070424556732
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8635085225105286
+Cc1cccc(c1)C,0.14028652012348175
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.1985861361026764
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.5821214318275452
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.7252820134162903
+N#CCc1ccccc1[N+](=O)[O-],0.6515569686889648
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9387347102165222
+n1ccc2c(c1)cnnc2,0.6140638589859009
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.32476791739463806
+CCc1cccc(c1N)C,0.47532111406326294
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9095081090927124
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.8101300001144409
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5120512247085571
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.542750358581543
+CCCCCCCCCCCC=C,0.05834542587399483
+Cc1ccc(cc1)Cc1ccccc1,0.19997069239616394
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7213292121887207
+OC(=O)C1(N)CCCC1,0.11910207569599152
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.3399128317832947
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.5762735605239868
+OC(=O)c1cccc2c1OC(O2)(F)F,0.09253676980733871
+[O-][N+](=O)c1ccccc1c1ccccc1,0.7372797727584839
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.6206822395324707
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.32310110330581665
+BrC(=C)C=O,0.4985720217227936
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.23246994614601135
+ON=C1CCCCC1,0.3793296217918396
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8994409441947937
+CCCCN(CCO)N=O,0.7623163461685181
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.3788319528102875
+CCc1cccc(c1N)CC,0.34043532609939575
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.09855081886053085
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5132282972335815
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8994911909103394
+CC(CC(=O)Nc1snc2c1cccc2)C,0.2458622008562088
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.20503051578998566
+C[Si](O[Si](C)(C)C)(C)C,0.05999172851443291
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.836796760559082
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.6308375597000122
+CCc1ccccc1N,0.44632095098495483
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.6326054930686951
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.6180607080459595
+C[C@@H](c1ccccc1)N(C)C,0.21575304865837097
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.7753812074661255
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8689753413200378
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.5753454566001892
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.3988268971443176
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.45405831933021545
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9581435322761536
+C=CC(=O)NC(CC(=O)C)(C)C,0.10051359236240387
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.7866966128349304
+NCCc1c[nH]cn1,0.20294196903705597
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.261862576007843
+C1CCOCO1,0.09122546017169952
+NNc1ccccc1[N+](=O)[O-],0.8848090171813965
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.24882087111473083
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.10768286138772964
+Cc1cc2ccccc2c(c1)C,0.48353147506713867
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.12732160091400146
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.38589632511138916
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.4085805416107178
+Cc1n[nH]c(=O)[nH]c1=O,0.30953970551490784
+CCCCOC(=O)C,0.23872682452201843
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.5175818800926208
+CC[P@](=S)(Sc1ccccc1)OCC,0.08662788569927216
+Cc1cc(O)nc(n1)S,0.0711188092827797
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8099308013916016
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.6110783219337463
+Cc1ccccc1S(=O)(=O)N,0.273296594619751
+C/C(=C\C=O)/Cl,0.5576591491699219
+CCCCCC[C@@H]1OC1,0.7090819478034973
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9112337231636047
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.4128032326698303
+CCCCSCCC(C(=O)O)N,0.26748019456863403
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9612159729003906
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.206294447183609
+ClCc1ccccc1CCl,0.5849730968475342
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.23628416657447815
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7143139243125916
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.42625898122787476
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.8789941072463989
+Oc1ccc2c(c1N)cccc2,0.7429655194282532
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.5052025318145752
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8186637163162231
+COc1ccc(cc1)CC1OC1,0.6945466995239258
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.43532848358154297
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.7014747858047485
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.6850979328155518
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8670074343681335
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.2751941382884979
+CCCCC/C=C\C=C/C=O,0.5612164735794067
+CCN([N+](=NO)[O-])CC,0.9300047755241394
+Fc1cccc(n1)F,0.06631426513195038
+Clc1ccc(cc1)C[C@@H]1OC1,0.6641880869865417
+O=S1(=O)CCCCO1,0.1566382199525833
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.21736228466033936
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.8918754458427429
+O/N=C/C=N/O,0.6187225580215454
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8384149670600891
+CC(C(C)(C)C)OP(=O)(Cl)C,0.19472864270210266
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.44031602144241333
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.5237600207328796
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.30076107382774353
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.6190568804740906
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.43820691108703613
+Clc1ccc(c(n1)C(=O)O)Cl,0.05942423269152641
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.37992918491363525
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.4495750367641449
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.33676645159721375
+OCNC(=O)CCl,0.7197732925415039
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.23889970779418945
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.1456267535686493
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7836507558822632
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9648186564445496
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.23385171592235565
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.921849250793457
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9600028991699219
+ONC(=O)c1ccc(c(c1)O)O,0.5085391402244568
+NC(=O)c1ccccc1C(F)(F)F,0.2282506227493286
+Cc1ccc(c2c1cccc2)C,0.56269371509552
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.3004970848560333
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.34518328309059143
+N#CCCNCCC#N,0.49813348054885864
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.5353965759277344
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.9195451736450195
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.09850490838289261
+Clc1ccc2c(c1)c1ccccc1o2,0.6605592966079712
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.7084661722183228
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.23274901509284973
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9196209907531738
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.425478458404541
+c1ccco1,0.3505306839942932
+C=CC(=O)OCC(C)(C)C,0.21496149897575378
+COCC(=O)O,0.20699064433574677
+CCCCOc1ccc(cc1)N=O,0.7028695344924927
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.11947192251682281
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.24083276093006134
+NNC(=O)CNc1ccc2c(c1)cccc2,0.8254206776618958
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.22475095093250275
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.1493166834115982
+COC(=O)c1ccc(cc1)CN(N=O)C,0.8073775172233582
+Nc1cccc(n1)N,0.28931936621665955
+O=C=Nc1ccc(cc1)N=C=O,0.41699185967445374
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.9201863408088684
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8103419542312622
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9217338562011719
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.5031028985977173
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7172735929489136
+NCCN1CCNCC1,0.4366661608219147
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.8026156425476074
+O=NN1CCN(CC1)C,0.6468939781188965
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9518033862113953
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.6431028246879578
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.1623089760541916
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9429997205734253
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.893897533416748
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.3965432047843933
+c1cnc2c(c1)ccc1c2cccn1,0.7902620434761047
+BrCCC(Br)Br,0.5322695970535278
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.42407840490341187
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8056010007858276
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.7988358736038208
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.6213651299476624
+CC([N+](=O)[O-])C,0.7338162660598755
+NCCCNCCCCN(N(N=O)O)CCCN,0.8167741894721985
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.30880147218704224
+O=C1C=CC(=O)C1(Cl)Cl,0.4222434461116791
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.17486266791820526
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.078484445810318
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.4053459167480469
+c1ccc2c(c1)c(OCC1CO1)ns2,0.7590609192848206
+O=C(C1OC1)NCc1ccccc1,0.699257493019104
+c1ccc2c(c1)occ2,0.5099073648452759
+CNC(=O)ON(C(=O)NC)C(=O)C,0.5970717668533325
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.7337278723716736
+Cc1ccc(cc1)Br,0.3034411072731018
+Nc1[nH]nc(n1)N,0.3084680736064911
+O=C/C(=C/c1ccccc1)/C,0.3778660297393799
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.4271489977836609
+CN[C@H](Cc1ccccc1)C,0.15451887249946594
+Cc1c[nH]cn1,0.2898848056793213
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.5640546083450317
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8572874069213867
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.8263313174247742
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.2756125330924988
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.44566887617111206
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9063666462898254
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.7806675434112549
+O=NN1CCCCC1,0.5716812014579773
+Oc1cc(=O)[nH]c(n1)N,0.3410707116127014
+CCCCOC[C@H]1CO1,0.692572295665741
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.12234922498464584
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7343161106109619
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.1521516740322113
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.2923136055469513
+Nc1ccccc1S(=O)(=O)O,0.10017342865467072
+C=CCOC(=O)CC(C)C,0.1544623076915741
+Nc1nc(N)nc(n1)N,0.46575289964675903
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.30037206411361694
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.603825032711029
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.08821059763431549
+Cc1ccc(cc1)C(C)(C)C,0.053868841379880905
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8572874069213867
+CC(=C)C1CO1,0.7029861211776733
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.4605743885040283
+[O-][N+](=O)c1ccccc1C(=O)O,0.51505446434021
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.029273003339767456
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9223867654800415
+BrCC1=C(Br)C(=O)OC1,0.8680211901664734
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9801968336105347
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.6139578819274902
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.10971260070800781
+COc1ccccc1c1ccccc1,0.34741756319999695
+CC1=CC[C@@H](CC1)C(=C)C,0.030146006494760513
+ClC(C(=O)O)Cl,0.6252410411834717
+O=Nc1cccc(c1)c1ccccc1,0.7089738249778748
+Cc1cc2cccnc2c(c1)C(=O)O,0.19359128177165985
+COc1ccc(cc1)CC[C@@H]1OC1,0.7679997086524963
+OC(=O)CCc1c[nH]c2c1cccc2,0.16085410118103027
+O=NN1CN2CN(C1)CN(C2)N=O,0.7255151271820068
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.4891805052757263
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.2566526234149933
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.7047713994979858
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8617528080940247
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.2931322455406189
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.15047694742679596
+[N-]=[N+]=NCc1ccccc1,0.8329987525939941
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9734743237495422
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.7784009575843811
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.3609922528266907
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.31228452920913696
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.679898738861084
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.731833815574646
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.18042661249637604
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.9118492007255554
+Nc1ccc(cc1)[N+](=O)[O-],0.8244878053665161
+CNc1ccc2c(c1N)cccn2,0.8345590829849243
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.3542504906654358
+NCCC#N,0.43685778975486755
+COc1ccc(cc1)N=O,0.7809257507324219
+Cc1ccc(cc1)C[C@@H]1OC1,0.6302809119224548
+OC(=O)CCC(=O)O,0.08833231776952744
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.668627142906189
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.7747774720191956
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7281563878059387
+O=NN1CC[C@H](C1)O,0.8419097065925598
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.7225956916809082
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.6764975786209106
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.08845216035842896
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.08520587533712387
+O=C(C(Br)(C)C)NCc1ccccc1,0.20151083171367645
+CC1=CC(C)(C)Nc2c1cccc2,0.2291053831577301
+O=C(C(C)C)Nc1snc2c1cccc2,0.4802452027797699
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9104690551757812
+O=C1C=C(C)C(=O)C(=C1)C,0.41873008012771606
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9427310824394226
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.8293532133102417
+CC(=O)c1ccc2c(c1)cccc2,0.8151403665542603
+CCCCOC(=O)C(=C)C,0.2626485228538513
+CC/C=C/1\OC(=O)c2c1cccc2,0.2850708067417145
+Clc1ccc(c(c1)C)N,0.7558131217956543
+Oc1ccc2c(c1)nc([nH]2)N,0.2859609127044678
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8757769465446472
+NC(=O)C1CO1,0.8610413670539856
+ClCC(=O)c1ccccc1,0.6792277097702026
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.16009916365146637
+O=CC(=C(Cl)Cl)Cl,0.5189405083656311
+CC(COC(=O)C(=C)C)O,0.28998884558677673
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.01870775781571865
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.4860852360725403
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.8496753573417664
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.4710293412208557
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.40980997681617737
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8518082499504089
+CNC(=O)CSP(=O)(OC)OC,0.5211713314056396
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.6345974802970886
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.6335464715957642
+COc1cc(Cl)c(cc1Cl)OC,0.20682084560394287
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.1352444440126419
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.5287593603134155
+N#Cc1ccccc1C,0.355064332485199
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.8097870945930481
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.27604228258132935
+Oc1cccc2c1OC(C2)(C)C,0.09613613039255142
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.881508469581604
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.7613995671272278
+CC(=O)Nc1ccccc1C,0.28413158655166626
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.1000509038567543
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.2652316093444824
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8058999180793762
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.43922415375709534
+CC(c1cc(ccc1N)c1ccccc1)C,0.5679047107696533
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.2361379861831665
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.21278199553489685
+O=C1c2ccccc2C(=O)c2c1cccc2,0.634175181388855
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.46127161383628845
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.688310444355011
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.40669241547584534
+CCn1c(N)nc2c1ccc1c2cccn1,0.8832584619522095
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.12842071056365967
+O=CCC=O,0.5176025629043579
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.7815648913383484
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.020577434450387955
+Oc1cccc(c1)[N+](=O)[O-],0.691158652305603
+C=CCNCC=C,0.3698251247406006
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.014422168023884296
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.6618658304214478
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.34476137161254883
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.2353852242231369
+ClCCOC/C(=C\Cl)/Cl,0.8132594227790833
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.1457512378692627
+Oc1c2ccccc2nc2c1cccc2,0.5382997989654541
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.10145974159240723
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8222869634628296
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.18340304493904114
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.0588526725769043
+N1C(=O)C(=N#N)C=NC1=O,0.5855203866958618
+Clc1nncc2c1ccnc2,0.5670390725135803
+COc1nsc2c1ccc(c2)N,0.86255943775177
+O=C1CCCC=C1,0.2787235677242279
+COc1nsc2c1cc(N)cc2,0.7417386174201965
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.7339817881584167
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9668318033218384
+Clc1nncc2c1cncc2,0.5121931433677673
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4308496415615082
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.8539706468582153
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.8349583745002747
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9195523262023926
+NS(=O)(=O)c1cccc2c1nccc2,0.33816346526145935
+OCc1ccc(cc1)C,0.2950272262096405
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.28637319803237915
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.10978695005178452
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.10590870678424835
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.6850979328155518
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7421960234642029
+N#CC1(O)CCCCC1,0.04614384099841118
+Oc1ccccc1,0.14447247982025146
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.627769947052002
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.8741996884346008
+COc1ccc(c(c1)OC)N,0.5688524842262268
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.7975698709487915
+OC(=O)c1ccccc1.[Na+],0.08362428843975067
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.6104670166969299
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7622261047363281
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7342455983161926
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.40698179602622986
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.8201236724853516
+Cc1ccc(cc1)N(C(=O)C)O,0.6261076927185059
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9234517812728882
+CCC#N,0.30025339126586914
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6728124022483826
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9334918856620789
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.287058025598526
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8919559717178345
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.09755468368530273
+CCOc1nc(NC)nc(n1)N,0.30222344398498535
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.08797385543584824
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.10997065156698227
+NC(=S(=O)=O)N,0.7040745615959167
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.2846756875514984
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.4068947434425354
+Ic1cc2cccnc2c(c1)C(=O)O,0.16396746039390564
+C=Cc1ccccc1C=C,0.08270283788442612
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.23943042755126953
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7755872011184692
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.02637004293501377
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.3963889479637146
+ClCC(C(=C)Cl)Cl,0.4386924207210541
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.8324486017227173
+On1nnc2c1cccc2.O,0.5787749886512756
+NC(=O)CNC(=O)C=N#N,0.9365484118461609
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.06231517344713211
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7199472188949585
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.937750518321991
+CCOC(=O)C,0.31406310200691223
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7782098054885864
+Clc1ccc(c(c1)C(=O)O)O,0.15744487941265106
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7354405522346497
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.12499743700027466
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9288031458854675
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9506272077560425
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.681147038936615
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.8870056867599487
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7399311065673828
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.6698721647262573
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.8134838342666626
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6054109334945679
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.18786214292049408
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.12315987050533295
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8638838529586792
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.6764792203903198
+CCCCCCC[C@@H]1CCC(=O)O1,0.22469420731067657
+CCNC(=S)NCC,0.26423168182373047
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.542951226234436
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.2118607461452484
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.46637773513793945
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.3793484568595886
+COc1cc(C=C)ccc1O,0.26473933458328247
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.15154890716075897
+Brc1ccccc1c1ccccc1,0.3998571038246155
+O=CCC(CCC=C(C)C)C,0.20350602269172668
+CCCCCCCCC=C,0.05394096300005913
+Clc1cccc(c1)Br,0.2165105789899826
+Cc1ccc(c(c1)O)O,0.27421826124191284
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.26658493280410767
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.8308809995651245
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.6842391490936279
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.2744080722332001
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.02905169501900673
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.2962081730365753
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.41480106115341187
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.14148464798927307
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.5276995301246643
+O=NN1CCNC1=O,0.8411146402359009
+Oc1nc2c(C)cccc2nc1O,0.5028352737426758
+O=NC([N+](=O)[O-])(C)C,0.8852623105049133
+Cc1cc(C)cc(c1)C,0.10275955498218536
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.10591393709182739
+OCCOCC,0.3001255989074707
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6790598630905151
+N1CC1,0.7494188547134399
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.6950327157974243
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.6879103183746338
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.4002348482608795
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8994911909103394
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.6147462129592896
+OS(=O)(=O)ONNCCc1ccccc1,0.16687236726284027
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.1808549463748932
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.7015267610549927
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.5483590364456177
+OCCc1c[nH]c2c1cccc2CC,0.3846431374549866
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.7254284620285034
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.5637890100479126
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7229202389717102
+CCOCCOCC,0.23781006038188934
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.09168978035449982
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.6677498817443848
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5771757364273071
+O=C/C=C\c1ccco1,0.5539875030517578
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.5780401229858398
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.03911310434341431
+Oc1ccnc2c1cccc2,0.2632924020290375
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.10484234988689423
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.6352499723434448
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.1539369821548462
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.5554069876670837
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.3074377179145813
+CNc1snc2c1cccc2,0.6482909917831421
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9608924984931946
+CC(c1ccc(cc1)NC(=O)N)C,0.3108428120613098
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.8107442855834961
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.25493040680885315
+CC(=C)C=O,0.4977625906467438
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.11582891643047333
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.8548572659492493
+CC(CCOC(=O)C)C,0.23909994959831238
+CCCCN(CCCC(=O)O)N=O,0.49205389618873596
+c1ncc[nH]1,0.3329147696495056
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8646930456161499
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.10117463767528534
+CC(=CC1C(C1(C)C)C(=O)O)C,0.12910673022270203
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.36142033338546753
+CCN1CCNC(=O)C1=O,0.3334520161151886
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.7482448816299438
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.6543059349060059
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.963294506072998
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8631110191345215
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.5335965156555176
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.1986493170261383
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.37913528084754944
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.8144981265068054
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.15492062270641327
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9583576917648315
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9672239422798157
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.904496967792511
+Oc1ncnc(n1)O,0.09824441373348236
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.13133952021598816
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.5031028985977173
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.3924228250980377
+BrC(C(=O)O)Br,0.5573762059211731
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.4357845187187195
+C1CC[C@H]2[C@@H](C1)O2,0.45715802907943726
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8632013201713562
+CC(Cl)(Cl)C,0.028269220143556595
+Nc1cccc2c1nc1cccc(c1n2)N,0.8651092648506165
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.16721636056900024
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.17146988213062286
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.9432300329208374
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.37218430638313293
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9498921632766724
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9276607632637024
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.3658910393714905
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7779994606971741
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9194892048835754
+N#C/C=C/C#N,0.4403344988822937
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.6879346370697021
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9118849635124207
+OC1COC(=C(C1=O)O)C,0.19120773673057556
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.5355685949325562
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6505283117294312
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9312484860420227
+O=CC(=O)C,0.6713464856147766
+Oc1cnnc(n1)O,0.12510159611701965
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.07221026718616486
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8902451395988464
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.9258673787117004
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.8243800401687622
+CCCC(=O)c1cc(O)c(cc1O)O,0.2814217507839203
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.05033304542303085
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.8245401382446289
+OC(=O)c1cccnc1,0.05685843899846077
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.7914108037948608
+ON1C(=O)CCC1=O,0.32825756072998047
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.17435626685619354
+CC1CCN(CC1)N=O,0.5171739459037781
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.11623356491327286
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.06213017553091049
+CCCCCCCC1CCC(=O)O1,0.22469420731067657
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8417686223983765
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.10507623851299286
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.6186250448226929
+N#C/C(=C\c1ccco1)/C(=O)OC,0.4688933789730072
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8298773765563965
+CCCCOC(=O)c1ccccc1N,0.2939396798610687
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9249274134635925
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.06668408960103989
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.15044526755809784
+COCCOC,0.27826127409935
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9224244952201843
+Clc1ccc(cc1)Cl,0.13081510365009308
+Cc1c[nH]c(=S)[nH]c1=O,0.436303049325943
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.12324663251638412
+CCOC(=O)CCl,0.7584773302078247
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.43008455634117126
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.2653406262397766
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.029750192537903786
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.331164687871933
+Clc1ccc(c(c1)C)O,0.3750350773334503
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.1282843053340912
+N#N=NCCC(C(=O)O)N,0.7682713270187378
+NCCN,0.5563867688179016
+C[C@H]([C@H](O)C)O,0.15841665863990784
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.8433828353881836
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.23096594214439392
+O=C(C(Br)C)NC(C)(C)C,0.4674101769924164
+NCCNCCN,0.6176952123641968
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.6820963025093079
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8665392994880676
+COCC(=O)Nc1c(C)cccc1C,0.37720054388046265
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6369763612747192
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.3399128317832947
+CC(=O)Nc1ccccc1,0.14124295115470886
+Clc1ccc2c(c1)nc(n2C)N,0.6604823470115662
+COS(=O)(=O)C(F)(F)F,0.18990866839885712
+CC(=O)OCN=[N+](C)[O-],0.8301057815551758
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.36165013909339905
+Oc1ccc(cc1)O,0.17108377814292908
+O=c1[nH][nH]c(=O)c2c1cccc2,0.28741365671157837
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7757953405380249
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.35993820428848267
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8382408022880554
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5640817880630493
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.1535274088382721
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.25812336802482605
+Nc1cn[nH]c(=O)c1Cl,0.6293667554855347
+CC(F)(F)F,0.03382302448153496
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.6310803890228271
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.8772417306900024
+Oc1cccc(c1C)O,0.17346936464309692
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6234509348869324
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.10243634879589081
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9733701944351196
+C([C@@H]1OC1)Cc1ccccc1,0.8071020841598511
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.5375811457633972
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.2635026276111603
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.32285749912261963
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.2839620113372803
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.7622492909431458
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.38535258173942566
+[O-][N+](=O)c1cnc(s1)N,0.8969484567642212
+[O-][N+](=O)c1ccc(o1)CNCCO,0.6967469453811646
+CCCOC(=O)C(=C)C,0.3358919024467468
+BrCc1ccccc1CBr,0.722823977470398
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9258757829666138
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7236008644104004
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.2922910451889038
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9228296279907227
+C=CC(=O)OCCOC(=O)C=C,0.35634878277778625
+Clc1ccc(cc1)C(=O)Cl,0.1873668134212494
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.06503255665302277
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.8907408714294434
+O=Cc1cccnc1,0.19461387395858765
+CNc1nc2c(n1C)ccc1c2cccn1,0.7820030450820923
+COC(=O)c1ccc(cc1)C,0.35709479451179504
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.043384186923503876
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.3260195851325989
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.6372408866882324
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.12327084690332413
+c1ccc2c(c1)[nH]cn2,0.4020262658596039
+Oc1cccc(c1)N(C)C,0.24933521449565887
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8486670255661011
+CCCCCCCCCCCCCCCCCCO,0.09036894142627716
+OCCN(C(C)(C)C)CCO,0.096167653799057
+O=NN(c1ncn(c1C(=O)NC)C)C,0.637511134147644
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.45329922437667847
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9619388580322266
+C[Si](N[Si](C)(C)C)(C)C,0.08682657778263092
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.05970621854066849
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.04996528476476669
+Fc1cccc2c1c1cccnc1cc2,0.5843695402145386
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.023564349859952927
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.7034512758255005
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.16527266800403595
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.6500503420829773
+O1CCOCCOCCOCCOCC1,0.3905315101146698
+CCCCCCCCCCCCCl,0.3455049395561218
+OC1C2OC2c2c(C1O)cccn2,0.38902562856674194
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.8563828468322754
+Oc1cc(O)cc(c1)O,0.17348182201385498
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.6281980276107788
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.38452571630477905
+S(Cc1ccccc1)Cc1ccccc1,0.45223313570022583
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.2875893712043762
+c1ccc(cc1)N/N=N/c1ccccc1,0.7080318331718445
+O=C/C=C/C=O,0.47001346945762634
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.050391435623168945
+COc1cc(CCC(=O)C)ccc1O,0.2289958894252777
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8047741055488586
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.050253432244062424
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.5296916961669922
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.17402274906635284
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.6981688141822815
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.6668121218681335
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7040570378303528
+Clc1ccc(cc1)S(=O)(=O)C,0.2052232325077057
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.1368408054113388
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.4657406806945801
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.2395419180393219
+COCC12OOC2(C)c2c(O1)cccc2,0.2784401774406433
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7934794425964355
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.7848048806190491
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9300935864448547
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.7377752065658569
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9422956705093384
+CN(CCN(C)C)C,0.16205592453479767
+O=Cc1c(Cl)cccc1Cl,0.31390580534935
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.5371828079223633
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.09491007775068283
+ClC(C(=O)C(Cl)Cl)Cl,0.7807084918022156
+O=CCCCC=O,0.42078059911727905
+CSC(=O)c1cccc2c1snn2,0.5705838203430176
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.33243706822395325
+COc1nc(NC(=O)N)nc(c1)OC,0.27742713689804077
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.36585909128189087
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9867116212844849
+Cn1cnc2c1ccc1c2cccn1,0.9180801510810852
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.07184720784425735
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.14142641425132751
+OCCN(C(=O)N)N=O,0.747000515460968
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.09058095514774323
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9678719639778137
+BrCC(=O)c1cccc(c1)OC,0.6375863552093506
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.26620233058929443
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.6824772357940674
+CC(CCNc1snc2c1cccc2)C,0.42609167098999023
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.813488781452179
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.1442515254020691
+Nc1ccc2c(c1)cns2,0.7070932388305664
+BrCc1cccc(c1)CBr,0.6370407342910767
+CN1CN(C)CSC1=S,0.2122115194797516
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.1986493170261383
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.8299237489700317
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.506815493106842
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.8183743357658386
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.10844075679779053
+COCCO,0.20402094721794128
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.2048076093196869
+Cc1ccc(cc1C)S(=O)(=O)O,0.11709527671337128
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.19211611151695251
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.09158305823802948
+CC(C1=CC(=O)C(=CC1=O)C)C,0.3184880018234253
+CC(S)C,0.13217051327228546
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.36482545733451843
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9546557664871216
+COC(=O)C1=CCCN(C1)N=O,0.7851830720901489
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9667719602584839
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.13262072205543518
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8868299722671509
+Nc1ccccc1,0.4479306638240814
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.58277428150177
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.4118441045284271
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.2072443664073944
+C[C@@H](c1ccccc1)CCc1ccccc1,0.2095165252685547
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.3069544732570648
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.18477602303028107
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.8454721570014954
+CC(=O)OCN([N+](=O)[O-])C,0.8769466280937195
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.11711888015270233
+C=C[C@@](CCC=C(C)C)(O)C,0.09469982236623764
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.24298234283924103
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.16689026355743408
+O[C@@H]([C@H]1CO1)CO,0.6934279203414917
+COc1cc(C=O)c(cc1OC)OC,0.29999130964279175
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8197205662727356
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.735471248626709
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.11789359152317047
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.3771405816078186
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8192254304885864
+CCCC(C(=O)O)CCC,0.024874934926629066
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9280558824539185
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.8494124412536621
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.5426366925239563
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.6608197093009949
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8878667950630188
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.6531099677085876
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.25516965985298157
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.339135080575943
+OCCc1ccccc1,0.16210682690143585
+COc1c2cccc(c2nc2c1cco2)O,0.7118488550186157
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.5278562307357788
+CC([N+](=O)[O-])(C)C,0.6366478204727173
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.6477214097976685
+c1ccc(cc1)NNc1ccccc1,0.46154865622520447
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8434028625488281
+ClCCN(CCCl)C,0.49019986391067505
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.2874208986759186
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.41725268959999084
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.24854204058647156
+C=Cc1ccc(cc1)C,0.1642717868089676
+NC[C@H](N)C,0.5497180223464966
+Cc1ccc(cc1)[N+](=O)[O-],0.7749346494674683
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.6227073073387146
+C[C@H](CO)Cl,0.6159431338310242
+BrCCBr,0.4566361904144287
+CON,0.6447589993476868
+O=c1n(CC2CO2)sc2c1cccc2,0.8212302923202515
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.2145072966814041
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.10790134966373444
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.19448940455913544
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9194542169570923
+COP(=O)(SC)SC,0.3934897482395172
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.8896211385726929
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.893655002117157
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.39216023683547974
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.8828384280204773
+ONc1cccc(c1)C,0.4509769082069397
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.15670464932918549
+CC(=O)OCC=C,0.2884727716445923
+NC(=S)c1c(Cl)cccc1Cl,0.25059419870376587
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.3249008059501648
+ClCC1=C(Cl)C(=O)OC1O,0.6511715650558472
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9592373967170715
+CC(C(=O)N(Cc1ccccc1)C)Br,0.5721543431282043
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.04281610995531082
+Oc1ncnc2c1cccc2,0.23873552680015564
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.2053668051958084
+O(Cc1ccccc1)CC1OC1,0.7593280673027039
+Cn1c2ccccc2c2c1cccc2,0.8757295608520508
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.8444849848747253
+COC(=O)C=C,0.3139941096305847
+Oc1ccc(cc1)c1ccc(cc1C)N,0.6612367033958435
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.10323663055896759
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.46195554733276367
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.7476205229759216
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9381338357925415
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.36350610852241516
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.4452003836631775
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.8259003758430481
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.7625116109848022
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.2065088450908661
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8481594324111938
+Oc1ccc2c(c1N)cccc2.Cl,0.7310150861740112
+Fc1cnc2c(c1)c(F)ccc2,0.2870666980743408
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7954814434051514
+O=C(Nc1ccccc1)Nc1ccccc1,0.18123462796211243
+CN(C(=S)N(C)C)C,0.5466606616973877
+CCCCCOc1ccc(cc1)N=O,0.6123572587966919
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7716482877731323
+Clc1c(Cl)ccc(c1Cl)Cl,0.11741790920495987
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.8935325741767883
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.8358519673347473
+Brc1ccc(cc1)[N+](=O)[O-],0.7388390302658081
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.09781675040721893
+O1OC2c3c(C1c1c2cccc1)cccc3,0.6859161257743835
+CC1=CC(=O)C(=CC1=O)C,0.4066024720668793
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.05578619986772537
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.892361044883728
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.6454615592956543
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5905094146728516
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.8276042938232422
+COc1cc(ccc1OC)CC1CO1,0.5951129794120789
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.242710679769516
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6965861916542053
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.33092448115348816
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.057984787970781326
+COc1ccc(cc1)[N+](=O)[O-],0.789753794670105
+C=CN=Nc1ccccc1,0.4400489330291748
+N#Cc1ccc(cc1)C,0.39474400877952576
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.16207090020179749
+Nc1cccc2c1c(N)ccc2,0.742770791053772
+O=C1CCCO1,0.39192643761634827
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.20818908512592316
+OCCCN=N,0.42765888571739197
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.399145245552063
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8977072834968567
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.32314562797546387
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.6091614961624146
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.8438340425491333
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.050683002918958664
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.781221866607666
+Clc1cc(Cl)c(c(c1)Cl)N,0.6444751024246216
+Oc1[nH]cnc2-c1cnn2,0.06632870435714722
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.20390836894512177
+O=C([C@]1(C)OC1)Nc1ccccc1,0.6616715788841248
+c1ccc(cc1)/N=N/c1ccccc1,0.6277483701705933
+CNNC,0.5633705258369446
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.3717549741268158
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.781217098236084
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.12595219910144806
+O=CC(=C(C)C)Cl,0.35499244928359985
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.5348278284072876
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.23765461146831512
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.833271861076355
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.3998156487941742
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.3713788092136383
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.8934704065322876
+ONc1ccc(cc1)C,0.5265322923660278
+[O-][N+](=O)c1cccc2c1nccc2,0.8157389760017395
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.5878065824508667
+O=C(C(=O)O)C(=O)O,0.17855624854564667
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.17382386326789856
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.7262099981307983
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7678039073944092
+O=C1CCCCCO1,0.166601300239563
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.08235475420951843
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.6316500902175903
+CC(=O)Oc1ccccc1C(=O)O,0.135163813829422
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.49856775999069214
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.5267467498779297
+C(Sc1ccccc1)CSc1ccccc1,0.22464151680469513
+ClCCSCCCl,0.4482472538948059
+Clc1cc(Cl)cc(c1)Cl,0.08071442693471909
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.1384200155735016
+COc1cccc2c1OC1(C2(C)OO1)C,0.19680175185203552
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9733582735061646
+ONC(=O)Cc1cn(cn1)N=O,0.48914408683776855
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.3629607558250427
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.6187993288040161
+Nc1cc2ccccc2c2c1cccc2,0.8892995715141296
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.26620692014694214
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.1716284602880478
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.14599350094795227
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8844560384750366
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.042969003319740295
+CN(c1ccc(cc1)N)C,0.6586060523986816
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.6073963046073914
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.6037260293960571
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.7647544741630554
+CCCCN(CC(=O)CC)N=O,0.6956891417503357
+CCN(c1ccc(cc1)N=O)CC,0.805964469909668
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.3893776535987854
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8549893498420715
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9421525001525879
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8137673139572144
+CCCCN(CCCCO)N=O,0.6738502979278564
+OC(=O)c1ccccc1C(F)(F)F,0.05903211236000061
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.8643504977226257
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.5658770799636841
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.09728147834539413
+OC(=O)COc1ccccc1,0.15764400362968445
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8980212211608887
+NCCc1ccc(c(c1)O)O,0.39626258611679077
+Fc1cnc2c(c1)c(N)ccc2,0.5442199110984802
+Nc1n[nH]cn1,0.4636410176753998
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.111064612865448
+CCCCCCCCCCCCCC[C@@H]1OC1,0.5304169654846191
+COc1nncc2c1cncc2,0.6191884875297546
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9898273348808289
+CC(C#N)O,0.3523138165473938
+CCCCCCC(=O)O,0.07816945761442184
+ONC(=O)CNC(=O)c1ccccc1,0.4290887415409088
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6021391153335571
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.3074677586555481
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.15672188997268677
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.7567825317382812
+ClCCN(C)C,0.6601255536079407
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.17723500728607178
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9057073593139648
+CNCC(c1ccc(c(c1)O)O)O,0.3852172791957855
+C[C@H]1CN1,0.7110229730606079
+BrC[C@H](c1ccccc1)Br,0.6546334028244019
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.38993772864341736
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.4635649621486664
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.42960667610168457
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.8951424360275269
+CCOP(=S)(SCCl)OCC,0.4816306233406067
+CCOS(=O)(=O)c1ccccc1,0.293015718460083
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.10806021839380264
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.8556140065193176
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.6421823501586914
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8084356188774109
+CCOC(=O)CNC(=O)[C@H](Br)C,0.6753942370414734
+CC(Cl)C,0.2924511134624481
+OOC1(C)c2ccccc2-c2c1cccc2,0.6924654245376587
+O=NN1CCC(=O)CC1,0.5846885442733765
+Cc1c(N)cccc1Cl,0.6265738606452942
+Oc1cccc2c1cccn2,0.2765556573867798
+CCC(CO)(CO)CO,0.07717686891555786
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.8353701829910278
+NC(=O)c1cnccc1C(F)(F)F,0.15792688727378845
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.1298755705356598
+COS(=O)(=O)F,0.37546414136886597
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.4991169571876526
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6932802796363831
+Fc1ccc(c(c1)F)N,0.6099095344543457
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.083066925406456
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.6514903903007507
+CN(C[C@@H](Cl)C)C,0.5900202989578247
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.19929847121238708
+COc1cc(ccc1O)CC1CO1,0.6906405687332153
+OC(=O)C[C@@H](C(=O)O)Cl,0.48866480588912964
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.6381849050521851
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.1885046660900116
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.03915737569332123
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5843366384506226
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.31534427404403687
+BrCCSCC(C(=O)OC)NC(=O)C,0.6202203035354614
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.8640686869621277
+COP(=O)(OC=C(Cl)Cl)OC,0.45469799637794495
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.07033409178256989
+CCCCN(C(=O)N)N=O,0.7886285185813904
+COc1ccc(cc1)CC=C,0.17748761177062988
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.1841094195842743
+Cn1c(N)nc2c1cc1ncccc1n2,0.8222681283950806
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9544254541397095
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6775045394897461
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.30424872040748596
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.2890690863132477
+N#N=NCC1OC(O)C(C(C1O)O)O,0.6805191040039062
+OCCOCCOCCO,0.33513709902763367
+CC(c1ccc(cc1)C(C)(C)C)O,0.07708434760570526
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9671729803085327
+COc1ccccc1N.Cl,0.6256870627403259
+Clc1cccc2c1c1ccccc1o2,0.5777904987335205
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.21603450179100037
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.1726798117160797
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.30286505818367004
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.14386746287345886
+[O-][N+](=O)c1cnc(n1C)C,0.4791203439235687
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6489859819412231
+Cc1cc(=O)[nH]o1,0.5622473955154419
+ClC(=O)Cc1ccccc1,0.13044431805610657
+OC(=O)CC(C(=O)O)O,0.16000354290008545
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.845248818397522
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.347748339176178
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8279291391372681
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.3892110586166382
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.6406369209289551
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.6533671617507935
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.15763120353221893
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8221575021743774
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.8437067866325378
+C1CC23C(C1)(O3)C=CC=C2,0.541989803314209
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.2188478410243988
+CC1=CC[C@H](CC1)C(O)(C)C,0.05556638166308403
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.2797032594680786
+CC(OC)CCO,0.10038641840219498
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.7417599558830261
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.7628666758537292
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.5379287004470825
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.5262776613235474
+CCOCC=O,0.4083428382873535
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.730528712272644
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.5045275688171387
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.3489258587360382
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.13114343583583832
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.06711752712726593
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9710419774055481
+c1ccc2c(c1)cncc2,0.6090410947799683
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.05303693935275078
+[O-][N+](=O)[CH-]C,0.8403379321098328
+ClCCN(c1cnc(nc1O)O)CCCl,0.39001399278640747
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.18386025726795197
+BrC(C1=C(Cl)C(=O)OC1)Br,0.8879499435424805
+Oc1ccc2c(c1)nc(n2C)N,0.5550360083580017
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.11662621796131134
+OC(=O)C(CC(=O)c1ccccc1N)N,0.3661988377571106
+CCCC[C@H](CN)CC,0.1942729949951172
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.36111822724342346
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.8860125541687012
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.5336164236068726
+CC(=O)OC[C@@H](CO)O,0.3219795823097229
+ClC/C=C\Cl,0.792941689491272
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.46446385979652405
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.7283722758293152
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8636280298233032
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.061150383204221725
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.2514854669570923
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.14179615676403046
+c1scc(n1)c1nc2c([nH]1)cccc2,0.46010875701904297
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.5274070501327515
+OCc1ccc(cc1)C(F)(F)F,0.22186128795146942
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3599628806114197
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.06261136382818222
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9773825407028198
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.6828943490982056
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.15739236772060394
+NC1c2ccccc2-c2c1cccc2,0.601841151714325
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.16730760037899017
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.12712685763835907
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.4406989514827728
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.318080335855484
+CN(c1ccc(cc1)N(C)C)C,0.3600686490535736
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.4706500172615051
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.7617864608764648
+O=NN(C(=N)N[N+](=O)[O-])C,0.8206292986869812
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.8660650253295898
+Clc1cccc(n1)Cl,0.08993033319711685
+CC(O)C,0.1477942317724228
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.42743223905563354
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.1798919290304184
+Nc1cccc(c1)[N+](=O)[O-],0.8027940988540649
+Fc1cccc2c1ccc1c2cccn1,0.6729831099510193
+CC(OC(=O)C(=C)C)C,0.2855481505393982
+N1CCN(CC1)c1ccccc1,0.5341781973838806
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.025960668921470642
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.44923344254493713
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9419746398925781
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.24267292022705078
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.1523876190185547
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.29889658093452454
+OCC(C(C(C1SCCN1N=O)O)O)O,0.6930018663406372
+CNc1ccc2c(c1C)ncc(n2)C,0.689992368221283
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.6939074397087097
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7313225865364075
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5185079574584961
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.2700245678424835
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.529816210269928
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.4960557818412781
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.698142409324646
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.44454455375671387
+COC(=O)C,0.35243478417396545
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9051219820976257
+ON1CN(Cl)CN(C1)Cl,0.38663962483406067
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.947239875793457
+OC(=O)/C=C/c1ccc(cc1)N,0.2902701795101166
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.3975718915462494
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.530636727809906
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.08534586429595947
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.8156854510307312
+OCC(CO)(CO)CO,0.11357786506414413
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.45698195695877075
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9201540946960449
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.2684069275856018
+O=NN(COC(=O)C)C,0.8765708804130554
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.7425920367240906
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9231731295585632
+O=NN1CCN(CC1)N=O,0.7888856530189514
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.10541073232889175
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.477302223443985
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.9581371545791626
+NCC(=O)O,0.3872331380844116
+Nc1ccc(cc1)O,0.3949306905269623
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.4185342788696289
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.7867125272750854
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.7790272831916809
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.892636775970459
+CC(=O)Nc1cccc(c1C(=O)O)N,0.4290732741355896
+OCCC(C)C,0.0573909655213356
+c1ccc(cc1)N=Nc1ccccc1,0.6277483701705933
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.4518173336982727
+CC(=O)Nc1cccc(c1)N,0.39452219009399414
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.12288522720336914
+CCCN(CCCC(=O)O)N=O,0.4880254864692688
+CC(c1ccc(nc1)C(F)(F)F)O,0.06397674232721329
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.10281747579574585
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.5134087204933167
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.6546570062637329
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.6748449206352234
+COc1nc2c(CBr)cccc2nc1OC,0.6496846675872803
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.559445321559906
+ClCC1=CC(=O)OC1,0.7990882396697998
+CC(O[P@@](=O)(F)C)C,0.08496986329555511
+C=CC(=O)OC[C@H]1CO1,0.7739205956459045
+CCCCCCCCCCCCOC[C@@H]1OC1,0.7012410163879395
+BrN1C(=O)CCC1=O,0.6327378153800964
+OCCCCO,0.12166490405797958
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.8377869725227356
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.07138221710920334
+O=C1c2ccccc2CCc2c1cccc2,0.2526271641254425
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.3596743941307068
+O=NN1CCC[C@@H](C1)O,0.682247519493103
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.11245427280664444
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.8326773643493652
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6523622274398804
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.05657154321670532
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9567128419876099
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.7181985378265381
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.5154018402099609
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.15597978234291077
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.18651947379112244
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.894696831703186
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.47570839524269104
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.21602554619312286
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9037772417068481
+OCC(Cl)Cl,0.8506925702095032
+NC(=O)O[C@H]1CO1,0.8149120211601257
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.40337973833084106
+NC(=N)c1ccccc1,0.26953941583633423
+Sc1[nH]cnc2-c1ncn2,0.12050465494394302
+Cc1ccc(cc1)N(C)C,0.4706963896751404
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.6628333926200867
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.8763429522514343
+Nc1ncnc2c1ncn2C,0.6693624258041382
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.04874468594789505
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7981915473937988
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.445392906665802
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.7112689018249512
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.9330085515975952
+C(C1OC1)Cc1ccccc1,0.8125818967819214
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.630446195602417
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.1591108739376068
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.8995414972305298
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.8795745968818665
+CCCN(N=O)CCC,0.7209737300872803
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8337176442146301
+COc1c(N)cc(c(c1C)N)C,0.7195785045623779
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.16161426901817322
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.8975375294685364
+COc1cc(ccc1OC)C[C@H]1CO1,0.5951129794120789
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.23570017516613007
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9313585162162781
+OC(=O)CCCOc1ccc(cc1C)Cl,0.09153400361537933
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9249683618545532
+C=CC1CC2CC1C=C2,0.07312531024217606
+[O-][N+](=O)[C@@H](CO)C,0.7018416523933411
+CSCNc1ccccc1C(=O)C,0.4056069254875183
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.8116104006767273
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.06711752712726593
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.1780904233455658
+Clc1ccc2c(c1)oc1c2cccc1,0.6442629098892212
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8370428085327148
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.5996792912483215
+CN(C(=O)NC)N=O,0.8034893274307251
+Cc1ccccc1c1ccccc1,0.33511796593666077
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.2411975860595703
+COC=C,0.24676859378814697
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.6159327030181885
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8494537472724915
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9129061698913574
+CC(C(C)C)C,0.059354037046432495
+Cc1ccc(cc1)CC[C@@H]1OC1,0.7118871808052063
+Nc1ccc(cc1)c1ccccc1,0.6817520260810852
+C[n+]1cccc(c1)C(=O)O,0.05355839803814888
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7764032483100891
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.886419951915741
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.3292655050754547
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.90619295835495
+BrC(C1=C(Br)C(=O)OC1)Br,0.897720992565155
+c1scc(n1)c1nc2c([nH]1)cccc2,0.46010875701904297
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.8497467041015625
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.7978824377059937
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.21061387658119202
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.22261008620262146
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.6611572504043579
+Nc1ccc(c(c1)C)C,0.4906570017337799
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.26275020837783813
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.32784318923950195
+ClCCP(=O)(O)O,0.4768570065498352
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.16373798251152039
+CCN(c1ccc(c(c1)O)N=O)CC,0.7434349060058594
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.1043873056769371
+ClCCC(CBr)Br,0.6587787866592407
+CN([N+](=O)[O-])C,0.8213609457015991
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.4437653422355652
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.46455687284469604
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.5032812356948853
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.6882659196853638
+C=CCN=C=S,0.5660569667816162
+Fc1ccc(c2c1ccc1c2nccc1)F,0.5743674039840698
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.77557373046875
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.18256202340126038
+OCCc1cn(c2c1cccc2)N=O,0.8654276132583618
+CCOCOCC,0.2535967230796814
+CC(C[C@H](N)C)C,0.14298643171787262
+CC(=O)N(C)C,0.4981975555419922
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.3461016118526459
+COc1ccc(cc1)CN(N=O)C,0.8640365600585938
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.6379212141036987
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.17848563194274902
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.7742597460746765
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.8361577987670898
+ClC/C=C/CCl,0.7887356877326965
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.13382011651992798
+ClCc1ccncc1,0.5907372236251831
+CNC(=O)c1ccccc1,0.15392498672008514
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.7092651128768921
+CCCCCCCCCCCl,0.2995445132255554
+Cn1sc(cc1=O)Cl,0.46147289872169495
+BrC1=C(Br)C(=O)OC1,0.6291062831878662
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.484943687915802
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.26844286918640137
+CCOC(=O)N(N=O)CC,0.821599006652832
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.17975281178951263
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.29625624418258667
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.18227657675743103
+COC(=O)c1ccccc1N,0.49874457716941833
+ClC[C@](CBr)(Br)C,0.5618765950202942
+COc1ccccc1CC1CO1,0.7101054191589355
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.46062445640563965
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.1628924310207367
+CN1CCC[C@@H]1c1cccnc1,0.09887316077947617
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.10435901582241058
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.5428251028060913
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.4867401123046875
+ClC[C@H](Cl)C,0.49345874786376953
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.3838482201099396
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.8430013656616211
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.6420041918754578
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.7393082976341248
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.7758450508117676
+Oc1ccc2c(c1)cc[nH]2,0.36946427822113037
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9597670435905457
+CNC(=O)N(C(=O)NC)O,0.2704859972000122
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.8224353790283203
+OCc1ccc(cc1[N+](=O)[O-])N,0.819410502910614
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.4307660162448883
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.1433321237564087
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.8342784643173218
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.29138487577438354
+CCCc1ccc2c(c1)OCO2,0.3781704902648926
+Nc1cccc(c1)C(F)(F)F,0.405256450176239
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.0871695727109909
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.6003960371017456
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.804940402507782
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7378758192062378
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.07678188383579254
+BrC(C1=C(Br)C(=O)OC1O)Br,0.7501920461654663
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.32943272590637207
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7593222856521606
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.3873642385005951
+NCCCNCCCN,0.40536993741989136
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.7864782214164734
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6822418570518494
+CCOC(=O)CNC(=O)C(Br)C,0.6753942370414734
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.9320141673088074
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.2039910852909088
+OC(=O)c1cccc2c1snn2,0.3246203064918518
+ONc1ccc2c(c1)cccc2,0.8540825843811035
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6993773579597473
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.6181638240814209
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9671121835708618
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.11474565416574478
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.33310896158218384
+COc1nsc2c1cc(OCC1CO1)cc2,0.8067696690559387
+Cc1ccccc1c1nc2c(o1)cccc2,0.40817341208457947
+Oc1ncc(c(n1)O)F,0.09628290683031082
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.1607811152935028
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.24745988845825195
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6204794645309448
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.0642835944890976
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6930550336837769
+C1CCC2C(C1)CC1(CC2)CO1,0.4472784399986267
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.19743570685386658
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.40121516585350037
+C[n+]1ccc(cc1)c1ccccc1,0.1781417578458786
+NC(=O)Nc1cccc2c1nccc2,0.624678909778595
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.5101372003555298
+CCC1OC1c1ccccc1,0.6721720695495605
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.9182360768318176
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.3942459523677826
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.4831233024597168
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.47390857338905334
+Sc1ncnc2c1[nH]cn2,0.21403959393501282
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.7729077339172363
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6338223218917847
+O=CN(c1ccc2c(c1)cccc2)O,0.902580738067627
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.6433472633361816
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.7596474289894104
+C1CCCO1,0.3125462234020233
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.326766699552536
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.39815396070480347
+FC(C(C(Cl)(F)F)(F)F)Cl,0.3410666882991791
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.4951794147491455
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8320375680923462
+CCCCCN(CCCCC)CCCCC,0.11754302680492401
+Nc1nc2c(n1C)ccc1c2ccnc1,0.8782787322998047
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.03017946518957615
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08485178649425507
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.33919602632522583
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8657255172729492
+OCc1ccc(cc1)[N+](=O)[O-],0.8186958432197571
+COCCOCCO,0.33249497413635254
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.12144509702920914
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8135021924972534
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8632892370223999
+CN1CN(C)CSC1=S,0.2126680165529251
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.03536441922187805
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.7749250531196594
+CCP(=O)(OCC)OCC,0.2681696116924286
+OC/C=C/Cl,0.8823907971382141
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.297891229391098
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.29725638031959534
+O=NN(C(=O)C)C,0.8635865449905396
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.16221387684345245
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.47703203558921814
+N#C/C=C\C#N,0.4577152132987976
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.6368836164474487
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.3668108582496643
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.39939117431640625
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.4692217707633972
+C/C=C/C=O,0.5203014612197876
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.0650663673877716
+CCCSSCC=C,0.16828365623950958
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.14289501309394836
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.143059641122818
+Brc1ccc(cc1)c1ccccc1,0.4066541790962219
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.6166988611221313
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5316084027290344
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.46567630767822266
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.7216309905052185
+S=C1NCCN1,0.4191691279411316
+CCC(=O)O,0.09214658290147781
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.6927852034568787
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9415785074234009
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.24936270713806152
+Nc1ccc2c(c1)c1ccccc1n2C,0.9631102681159973
+OC(=O)CCC(=O)CC(=O)C,0.21020779013633728
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.6995941400527954
+O=C(c1ccccc1N)OC1CCCCC1,0.2119566947221756
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.2445148229598999
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9142599105834961
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5332993865013123
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.19522985816001892
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.2892976403236389
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.204318568110466
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.353813111782074
+CCc1ccco1,0.3463968336582184
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.09952126443386078
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.4530474543571472
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.6101621389389038
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.04786818102002144
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7913100123405457
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.6048022508621216
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.2909621298313141
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.33093851804733276
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.2430601865053177
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.6598329544067383
+NCCNCCNCCN,0.6026057004928589
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9673905372619629
+NCP(=O)(O)O,0.2674448788166046
+COC(=O)CC(=O)OC,0.23583590984344482
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.03756086900830269
+Nc1ccc(cc1)Nc1ccccc1,0.6868566274642944
+C/C=C\C=C/C=O,0.5364102125167847
+OC(=O)c1cccc(c1)C(F)(F)F,0.0613468699157238
+CC(C[C@H](O)C)C,0.04708709567785263
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.6290837526321411
+COc1ccccc1N,0.6256870627403259
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9603201150894165
+OC(=O)CCN=N#N,0.5083581209182739
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.7919858694076538
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.7832341194152832
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.717159628868103
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.22323420643806458
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.3580787777900696
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.4121607840061188
+FC(n1c(C)n[nH]c1=O)F,0.7531936764717102
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.3341202735900879
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.6103895902633667
+O=C=NC1CCCCC1,0.4109283983707428
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9296358227729797
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8140066266059875
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.8539316058158875
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.21131658554077148
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.8328936696052551
+C[C@@H](ON=O)CC,0.632183313369751
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.4699169993400574
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9426591992378235
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.9524431228637695
+CC(CC(=O)C)C,0.09494747221469879
+CCCCCCCC(=O)O,0.05334747955203056
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.968834400177002
+COc1cc(ccc1N)[N+](=O)[O-],0.9097415804862976
+OCCN1CN(CCO)CN(C1)CCO,0.22322145104408264
+OC(=O)c1ccc(cc1)N,0.26222720742225647
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.43547049164772034
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.1943327635526657
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9036038517951965
+OC(=O)c1ccc(cc1)C,0.14999839663505554
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.14104515314102173
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.691728413105011
+ON(c1ccccc1)C(=O)C,0.43250951170921326
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6452583074569702
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.8313387632369995
+OCCCl,0.7045155763626099
+CNC(=O)CSP(=S)(OC)OC,0.3363558053970337
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.17301896214485168
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.35912227630615234
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9630695581436157
+OCc1c2ccccc2cc2c1cccc2,0.7093010544776917
+[O-][n+]1cccc2c1C=CC1C2O1,0.7431551814079285
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.24141328036785126
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.8421422243118286
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.14198148250579834
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.9226745367050171
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.6998578906059265
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.89741051197052
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.1731570065021515
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.1099761500954628
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.160654217004776
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.3857443928718567
+CCCCCCCCCCCCCCCCCCN,0.23745600879192352
+Cc1ccccc1Br,0.16135059297084808
+COC=O,0.5884858965873718
+OCCCCN(CCO)N=O,0.7880598306655884
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.3027247488498688
+CC(=C)C#N,0.2607172727584839
+BrCC(=O)Nc1ccc(cc1)C,0.6141059994697571
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9448186755180359
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.1821412891149521
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8620945811271667
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.11960594356060028
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.17132632434368134
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.1733083426952362
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8337176442146301
+CCCCON=O,0.6701768636703491
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.944739043712616
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8177140951156616
+CC1CCC2CC1C2(C)C,0.03217887878417969
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.716421902179718
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.34041863679885864
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.3312741219997406
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.4328996241092682
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7163997888565063
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.2529098391532898
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.3007679581642151
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.5787460803985596
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.45352602005004883
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.8799797892570496
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.8418560028076172
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.05780775099992752
+CCC(c1ccc(cc1)O)(C)C,0.06799356639385223
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.35525768995285034
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.8352592587471008
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9129009246826172
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.05866654962301254
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.6136122941970825
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.08715647459030151
+ClCCCBr,0.7163534760475159
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.4891696572303772
+ONc1nc(N)nc2c1nc[nH]2,0.4344627857208252
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.2628251016139984
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.6482995748519897
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.43266811966896057
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.43761640787124634
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.06027060002088547
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9544929265975952
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.9172094464302063
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.5458940863609314
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.45539045333862305
+OC(=O)c1ccccc1S(=O)(=O)N,0.21447452902793884
+Cc1c(C)cccc1N,0.529274046421051
+CCOC(=O)CC(=O)C,0.19867804646492004
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.8719514012336731
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.1250799298286438
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.6644920110702515
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9517995119094849
+Clc1ccc2c(c1)nsc2N,0.7498694658279419
+CCCCB(CCCC)CCCC,0.046541351824998856
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.43484553694725037
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8228553533554077
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.1851724088191986
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7855445146560669
+COC(=O)C(CSCCCl)N,0.8154135942459106
+CNCC(=O)O,0.15174651145935059
+Sc1ccccc1,0.1515253633260727
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.034540534019470215
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7625688314437866
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.8444849848747253
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.7020353078842163
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.38147443532943726
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7562926411628723
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6327350735664368
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.8993878364562988
+COCCl,0.8584926724433899
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.1298685371875763
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.0930752158164978
+COc1cc(/N=N/c2ccccc2)ccc1N,0.9237787127494812
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.8713882565498352
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.4911511540412903
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.5176011323928833
+O1C2C1c1cscc1-c1c2csc1,0.7938216924667358
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.022746680304408073
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8505160212516785
+SCCc1cnccn1,0.1335683912038803
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.1447400450706482
+C=COCC(F)(F)F,0.09835400432348251
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.85596764087677
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.37940627336502075
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9659393429756165
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9179449081420898
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6278144121170044
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.8182686567306519
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.025183692574501038
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.6938746571540833
+OC(=O)CCC(=O)O.[Na+].[Na+],0.09904222190380096
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.7440135478973389
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.16551025211811066
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.29118743538856506
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.8226585388183594
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.6395381093025208
+OCCNc1ccc(c(c1)O)C,0.4195747375488281
+C[C@H]1CS1,0.7179679870605469
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.7503220438957214
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6278073191642761
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.04269249364733696
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9262180328369141
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.11640451848506927
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.2307790219783783
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.2806468605995178
+CNCCCC(=O)O,0.09253521263599396
+CCSCCOP(=S)(OC)OC,0.3170597553253174
+Cc1ccc(cc1)NN=NCc1ccccc1,0.8182468414306641
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.19364158809185028
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.8141087293624878
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.12387223541736603
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9789196848869324
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9468139410018921
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.24303102493286133
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.4155254364013672
+O=C(c1ccccc1O)Oc1ccccc1,0.21508929133415222
+Nc1ccc2c(c1)s[nH]c2=O,0.43016400933265686
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.6444401144981384
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.5895607471466064
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.2164110392332077
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.7610725164413452
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.24064901471138
+O=NN1CCSCC1,0.8167403936386108
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.05821062996983528
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.04281610995531082
+Cc1cccc(c1)N,0.4785788655281067
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5762722492218018
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.24685701727867126
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.5770655870437622
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.7929447293281555
+OC(=O)Cc1ccc(cc1)N,0.19969849288463593
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.837870717048645
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.4962671399116516
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.9169895052909851
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.028759900480508804
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8022192716598511
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.7672444581985474
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.2741613984107971
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.16188788414001465
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.17407557368278503
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.4350132346153259
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.7102457284927368
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.8472355604171753
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.8054491281509399
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.5237939953804016
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.6863754987716675
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.13416032493114471
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.031963448971509933
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.7802615761756897
+c1ccc2c(c1)snc2,0.5768359899520874
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.2644200921058655
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.8512414693832397
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.4729490280151367
+CN(c1ccncc1)C,0.28914862871170044
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.8151322603225708
+O=C1CSC(=S)N1,0.34084123373031616
+CCOC(=O)C(=O)C,0.416556179523468
+OCc1ccc(cc1)Cl,0.3834508955478668
+Cc1cccc2-c3c(C(c12)C)cccc3,0.2899910807609558
+Sc1ncc(c(n1)O)C,0.15346822142601013
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.3602812588214874
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.7112717628479004
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5991969108581543
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.6351243257522583
+Nc1scc(n1)c1cccnc1,0.5751320123672485
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.11265216022729874
+Cc1nsc(c1)N.Cl,0.5139917135238647
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.24697116017341614
+OC(=O)CCCCC(=O)O,0.10817223787307739
+C[N+](Cc1ccccc1)(C)C.Cl,0.043544668704271317
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.781333327293396
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.07630304992198944
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.07471303641796112
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.6141895055770874
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.07732965052127838
+CC=C,0.0919414609670639
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8957940936088562
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.67674320936203
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.2575916647911072
+C[C@H](C(=O)NCc1ccccc1)Br,0.5289310216903687
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.024923965334892273
+NC(=O)CCCCC(=O)N,0.5652813911437988
+C[C@H](CN)O,0.24875442683696747
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.8417538404464722
+O[C@@H](c1ccccc1)C#N,0.1360025703907013
+O=C1CCCCC1=O,0.20065994560718536
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7433497309684753
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.1005779504776001
+CCc1ccc(nc1)C(F)(F)F,0.0542745366692543
+CC(OS(=O)(=O)C)C,0.2861563265323639
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9226133227348328
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.3630371689796448
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.7542004585266113
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.5082877278327942
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.2887105345726013
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.7319791913032532
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9266797304153442
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.872750461101532
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.4172874987125397
+C=Cc1ccncc1,0.1274481564760208
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.16577407717704773
+OCC([N+](=O)[O-])(CO)Br,0.749782145023346
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.3102717101573944
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.14205583930015564
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8460270166397095
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.46490296721458435
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9725810885429382
+Cc1ccc(cc1)/N=N/N(C)C,0.6743854284286499
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.8276675939559937
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.6046284437179565
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9572858810424805
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.45925837755203247
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.40449124574661255
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6550579071044922
+C[n+]1cccc(c1)OC(=O)N(C)C,0.18625135719776154
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.3144609034061432
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.8817951083183289
+CC12OOC2(C)c2c(O1)cccc2,0.14691641926765442
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6313032507896423
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.24630644917488098
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.49466848373413086
+OC(=O)c1ccccc1,0.09156344830989838
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9105973243713379
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5072627067565918
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.8203533887863159
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.2041625678539276
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5049420595169067
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9478523135185242
+CNC(=O)ON,0.7091361880302429
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.7310861349105835
+FC(C1=C(C=N[N]1)C(=O)O)F,0.23417560756206512
+OC(=O)c1ccc(cc1)C(=O)O,0.12995266914367676
+Cc1c2ccccc2cc2c1cccc2,0.7181426286697388
+ONc1cccc2c1cccc2,0.7151204943656921
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.8313434720039368
+C=CCc1ccc(cc1)O,0.21375593543052673
+CCOCC(=O)O,0.2175532579421997
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.1178893893957138
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.20316645503044128
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.8146781921386719
+O1CC1Cc1ccccc1,0.517162024974823
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.13167312741279602
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.4702394902706146
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.37764182686805725
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.2206757515668869
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.09597376734018326
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.10770168155431747
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.6189020276069641
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.30601221323013306
+CCCCCCNCCCCCC,0.2915893495082855
+O=NN(Cc1ccccc1)C,0.7738012075424194
+CCNCC,0.17363205552101135
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.851763129234314
+Cc1ccc2c(c1)cccc2C,0.5080513954162598
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.31938436627388
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.29253095388412476
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.19970938563346863
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.030070597305893898
+ClC(=O)c1ccccc1C(=O)Cl,0.26929378509521484
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.912116527557373
+OCCC(CCC=C(C)C)C,0.11461768299341202
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.8761717677116394
+Clc1ccc(c(c1)C(=O)O)Cl,0.10961812734603882
+N[C@H](C(=O)O)CSCc1ccccc1,0.2210882008075714
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.2098228484392166
+COCCOC(=O)C,0.41396665573120117
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.31608277559280396
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.08213253319263458
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.16251446306705475
+N#Cc1cccc(c1)[N+](=O)[O-],0.7544103860855103
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.35554590821266174
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.733566403388977
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.10069756209850311
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9536954164505005
+CN(C(=N)N(C)C)C,0.3994166851043701
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.22478148341178894
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.42703866958618164
+NC(=NC(=N)N)NCCc1ccccc1,0.3530336320400238
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9109562039375305
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.8145791292190552
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.04808685556054115
+CC(=O)NC(C(=O)O)CSCCCl,0.5046454668045044
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.4764435887336731
+COc1c2ccccc2nc2c1cco2,0.5118111371994019
+OCCCBr,0.8139894604682922
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.36830490827560425
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.23223182559013367
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.07982851564884186
+n1ccncc1,0.16486047208309174
+CC1(OC1)c1ccc(cc1)Cl,0.4239802956581116
+OC(=O)CP(=O)(O)C,0.06730915606021881
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6948015689849854
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5343767404556274
+N#[N+]c1nc[nH]c1C(=O)N,0.4990476965904236
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.3974958062171936
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.968197226524353
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.18241479992866516
+NC(C(=O)O)COC(=O)C=N#N,0.5842020511627197
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.5422524213790894
+Clc1ccccn1,0.24938896298408508
+Nc1nc(N)nc(n1)Cl,0.3665582537651062
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0771181732416153
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.7719845771789551
+Cc1cccc2c1-c1ccccc1C2C,0.35753270983695984
+ClCc1ccccc1,0.6147897243499756
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.43663686513900757
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.4779461920261383
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.20837998390197754
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.8790013194084167
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.10279768705368042
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.6113070249557495
+O=c1ccc2c(o1)cc1c(c2)cco1,0.7429240942001343
+OC(=O)c1cccc(c1N)O,0.43213969469070435
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.2499893456697464
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.8944165110588074
+CC12CCC(C2(C)C)CC1(C)O,0.023361269384622574
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.7676117420196533
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8658744096755981
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.3588530123233795
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.4168871343135834
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9331599473953247
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.5584805011749268
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7961748242378235
+Nc1cc2nc3ccccc3nc2cc1O,0.8798004984855652
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9599901437759399
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.22283904254436493
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9212738871574402
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.46178191900253296
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.10347045958042145
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.02211473323404789
+COC(=O)c1ccccc1NC,0.34328141808509827
+OC[C@H]1CCCO1,0.2849532961845398
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.1659485399723053
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.8605655431747437
+CC(=O)Nc1ccc(cc1)C(=O)O,0.1686972677707672
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9271411895751953
+O=NN1CCNCC1,0.8437029719352722
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.6839444637298584
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.7583139538764954
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7226831912994385
+CCOc1nc(NC(=O)N)nc(n1)NC,0.28650298714637756
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.07624875009059906
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.38297832012176514
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.12958163022994995
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.1982676088809967
+C=CCC[C@H]1CO1,0.7534350156784058
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.10951574146747589
+S=c1scc(s1)c1ccccc1,0.3198460340499878
+Brc1cc(Br)c(c(c1)Br)O,0.22432175278663635
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.30412954092025757
+O=C(C(=O)c1ccccc1)c1ccccc1,0.30535274744033813
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.7314529418945312
+Cc1cc(=O)[nH]c(=S)[nH]1,0.14740052819252014
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8130829930305481
+N#Cc1ccc2c(c1)nc([nH]2)N,0.5199909210205078
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.2529240846633911
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.18549329042434692
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.06522887945175171
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9317790269851685
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.15720012784004211
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8579475283622742
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.6311913132667542
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.46368974447250366
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.1393749862909317
+ClCCNc1ccc(cc1)CCCC(=O)O,0.3050139546394348
+O=NN1CSCC1,0.8859208822250366
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.823765754699707
+c1ccc2c(c1)[nH]cc2,0.5037989616394043
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.06499561667442322
+C1CNCCO1,0.16448667645454407
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.2999909222126007
+O=C(c1ccccc1)/C=C/c1ccccc1,0.42971572279930115
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.6530126333236694
+N#CC1=Cc2c3c1cccc3ccc2,0.7330176830291748
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8539587259292603
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7459684014320374
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.4074947237968445
+COP(=O)(OC)O,0.14555533230304718
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7267034649848938
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.5791481137275696
+BrCCOC(=O)C=C,0.7577975988388062
+CC(COC(=O)c1ccccc1N)C,0.4467597007751465
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9142253994941711
+C#CCOCC[n+]1ccccc1/C=N/O,0.2500569224357605
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.4191510081291199
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.959393322467804
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.27947166562080383
+Oc1ccc(c(c1)C(C)(C)C)O,0.09862673282623291
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.746934711933136
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.03761082515120506
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8098885416984558
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.32563772797584534
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.33270034193992615
+O=NN1CCCCCCC1,0.7057487964630127
+O=C1c2ccccc2C(=O)C1(O)O,0.1432495266199112
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.44025474786758423
+Fc1ccc(c2c1nccc2)F,0.224225714802742
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.4671117663383484
+CC/N=N/O.[K+],0.7144903540611267
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9444313049316406
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.05184166505932808
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.17682422697544098
+Oc1cccc2c1cccc2,0.45200595259666443
+c1cccnc1,0.3120778501033783
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.4945341646671295
+Cc1ccc2c(c1)nc([nH]2)N,0.36344072222709656
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.40265291929244995
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.5468248128890991
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.2262154370546341
+OC(=O)/C=C/C(=O)CC(=O)C,0.32124781608581543
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.6054508686065674
+OC1CC=Cc2c1nccc2,0.2239638864994049
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.7051364779472351
+CN(/N=N/c1ccc(cc1)Cl)C,0.728950023651123
+O=C1CCCCCN1,0.1971701681613922
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.2885969877243042
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9743829965591431
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.2722013592720032
+CCNC(=O)CC[C@@H](C(=O)O)N,0.3079001307487488
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.03331916406750679
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.8744081258773804
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.4240358769893646
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.27851513028144836
+N#Cc1cccc2c1nccc2,0.5068165063858032
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.8414363861083984
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.7671816945075989
+C(C1OC1)CC1OC1,0.5623580813407898
+OCC(=O)CO,0.299582302570343
+N=C(NC(=N)N)NCCc1ccccc1,0.24383635818958282
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.11326561123132706
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.4586535096168518
+CNc1ccccc1,0.3240136504173279
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.7626609206199646
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.36580076813697815
+NC(=S)Nc1cccc2c1cccc2,0.8794929385185242
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8557286262512207
+N#CCC[C@H](C#N)C,0.2871101498603821
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.4386135935783386
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.7473551034927368
+c1ccc(cc1)c1ccccc1c1ccccc1,0.27336058020591736
+N#Cc1ccc(cc1)C1(C)OC1,0.7956477403640747
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5872329473495483
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.6652218103408813
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.28258758783340454
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.47567886114120483
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.868452250957489
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.7373182773590088
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.2529546618461609
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8893712162971497
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.10091333091259003
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.11614744365215302
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.27031153440475464
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.43195265531539917
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.43145060539245605
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.12101896107196808
+Nc1ccc2c(n1)c1ccccc1cc2,0.9061964750289917
+C/C(=C\C)/C#N,0.5204863548278809
+N#N=NCCC(c1ccccc1)c1ccccc1,0.4744499623775482
+Nc1ccc2c(n1)cccc2,0.7500479221343994
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.8652076721191406
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8278304934501648
+O=C(C1OC1)Nc1ccccc1,0.7566648721694946
+O=c1ccoc(c1O)C,0.30790552496910095
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.2607704997062683
+Nc1cccc2c1cccc2N,0.8235771059989929
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.6593102216720581
+COc1cc(C=O)ccc1O,0.38190072774887085
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.4810921251773834
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9483392834663391
+ONc1cc(C)cc(c1)C,0.4807215631008148
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.7994435429573059
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.8394123315811157
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.31447920203208923
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.7069573402404785
+Cc1cc(nc(n1)N)C1CC1,0.5379155278205872
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8279324769973755
+CC1CCCC2(C1(O)CCCC2)C,0.060177527368068695
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.49372416734695435
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9021528363227844
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.22168035805225372
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.16606460511684418
+NC1=N[C@@H](CS1)C(=O)O,0.4363839030265808
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.7318500280380249
+O=NN1CCOCC1,0.7955943942070007
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9090345501899719
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.44246992468833923
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.23139087855815887
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.16356249153614044
+OCc1ccc(cc1)C#N,0.4408213198184967
+CSCCC(C(=O)O)N,0.2789735198020935
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8195925951004028
+CC(=O)OC=C,0.2932419180870056
+Clc1cc2ccccc2c2c1cccc2,0.7163828015327454
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.6087031960487366
+Nc1ccc2c(-c3ccccc3C2)c1,0.7406982183456421
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.8208413124084473
+CCCCCCCCCCCC[C@H]1CO1,0.5536443591117859
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.7140635848045349
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8407360315322876
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.8275143504142761
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.33932775259017944
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8322708010673523
+OCCNC(=O)[C@H](O)C,0.32337623834609985
+COc1cc(C=O)ccc1OC,0.4183274209499359
+C=CCN(CC=C)CC=C,0.29339271783828735
+O=NN(CCCC(c1cccnc1)O)C,0.4300518035888672
+CCCCC/C(=C/c1ccccc1)/C=O,0.32409918308258057
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.8150280117988586
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.15457499027252197
+NNc1nncc2c1cccn2,0.8739546537399292
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8522956967353821
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.922927737236023
+CCOC(=O)N(CCOC(=O)C)N=O,0.8742107152938843
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6853156089782715
+Cc1c(C)cccc1C,0.07701827585697174
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.6635837554931641
+CCOC(=O)CC(C)C,0.24548235535621643
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.38945960998535156
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.1821576952934265
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.2642505168914795
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.8215101361274719
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.8689982295036316
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.8146320581436157
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.23390313982963562
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.5958133935928345
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.12963750958442688
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.8562415242195129
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.9384346008300781
+ClCCN(C(=O)NCC(=O)N)N=O,0.9443524479866028
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9179776906967163
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.44980588555336
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8964424133300781
+COCCOCCOC,0.30224525928497314
+Oc1ccc2c(c1)nccc2,0.308365136384964
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.06701241433620453
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.5362840294837952
+CC(OC(=O)Cc1ccccc1)C,0.16543534398078918
+Fc1cnc2c(c1)c1ccccc1cc2,0.6649196743965149
+O=CCCN(C(=O)OCC)N=O,0.842562198638916
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9076701402664185
+c1ccc2c(c1)c1ccccc1cc2,0.8024643063545227
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.0885215625166893
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7636312246322632
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6998315453529358
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.6726350784301758
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.9266727566719055
+O[C@H]1C=CC=C[C@@H]1O,0.17592941224575043
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.8993741273880005
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9579727053642273
+C=CC(=C)Cl,0.18143874406814575
+N=c1nc[nH][nH]1,0.5660330057144165
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.5102025270462036
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.7080960273742676
+COc1c2cc(OC)ccc2nc2c1cco2,0.5944581031799316
+FC(OC(C(F)(F)F)Cl)F,0.40719932317733765
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.7401977777481079
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9442909955978394
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.601692795753479
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.8954299688339233
+ONc1cc2c([nH]1)cccc2,0.5807555317878723
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.2814430296421051
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9458451271057129
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.2353152334690094
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.5363718271255493
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.8564742803573608
+CCCC,0.2365088164806366
+N#Cc1ccc(cc1)[N+](=O)[O-],0.711673378944397
+Cc1ccc(cc1)C(N)C,0.38952091336250305
+O=CN(C)C,0.6987113952636719
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.4408215880393982
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.26211437582969666
+BrC(=C)C(=O)O,0.13809724152088165
+Clc1ccc(cc1)S(=O)C,0.2954753041267395
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.055130165070295334
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.7018312215805054
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.30028000473976135
+Cc1ccc(o1)C=O,0.4045577943325043
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.1242808848619461
+O=C/C=C/C=C/C=O,0.512270987033844
+Oc1nnc(c(n1)O)C,0.21988585591316223
+ClCc1c2ccccc2cc2c1cccc2,0.9124207496643066
+COc1cc(N)cc(c1N)OC,0.45717817544937134
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.1272863894701004
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.9339324831962585
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9556900858879089
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9250141978263855
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.373488187789917
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.04431901499629021
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.873630702495575
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8325281143188477
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.12863920629024506
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.6909784078598022
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.36553025245666504
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.207053542137146
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.6062911748886108
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.7425406575202942
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.12839774787425995
+CCSCCSP(=O)(OC)OC,0.6255102753639221
+N#CC(=Cc1ccccc1Cl)C#N,0.4962085783481598
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.48991402983665466
+O=C1OC(=O)c2c1cccc2,0.160731241106987
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.5668898224830627
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.36365604400634766
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.05389498546719551
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.17098668217658997
+OOC(C)(C)C,0.412181556224823
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.6863082647323608
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.15093503892421722
+O=Nc1nccn1C,0.8025107383728027
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.7294691205024719
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.2142529934644699
+OS(=O)(=O)c1cccc2c1nccc2,0.15066835284233093
+OC(=O)Cc1ccccc1Cl,0.08324722945690155
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.6991878151893616
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.38493335247039795
+Nc1ccc(cc1)Oc1ccccc1,0.6154855489730835
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.14858730137348175
+N#CC(C(C#N)(C)C)(C)C,0.15317805111408234
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.16660192608833313
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.12392266094684601
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.9020891189575195
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.8979303240776062
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.1603873074054718
+Cn1c(N)nc2c1cc1ccncc1n2,0.8037918210029602
+CCCCCN(N=O)CCCCC,0.5935624837875366
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.29115089774131775
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.075029656291008
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.11126542091369629
+Nc1[nH]cnc2-c1ncn2,0.27661213278770447
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.2326461523771286
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7312461137771606
+OCCNCCO,0.31080541014671326
+NC(=O)c1ccccc1O,0.269702672958374
+OCC(=O)O,0.2088233232498169
+c1ccc2c(c1)c(ccc2)CC1CO1,0.8988174200057983
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.7595205903053284
+OC1OC(=O)C(=C1C)Cl,0.1926286816596985
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.8617036938667297
+CC1OC(C)CN(C1)N=O,0.7592790722846985
+COP(=O)(SC)OC,0.4461390972137451
+COc1cc(OC)c(cc1C1OC1C)OC,0.5423011779785156
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.4092293381690979
+CC(COS(=O)(=O)c1ccccc1)C,0.2475760281085968
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.103184774518013
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9551833868026733
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.40165743231773376
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.7715749740600586
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.8201154470443726
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.1809471696615219
+CCCCC/C=C/C=C/C=O,0.453122079372406
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.39331403374671936
+COc1cc(=O)[nH]c(=O)[nH]1,0.28063538670539856
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.5824936628341675
+OC(=O)COc1ccc(cc1C)Cl,0.15400995314121246
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9397488832473755
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.2202911078929901
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.12649065256118774
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.08048801869153976
+NCC(=O)Nc1ccccc1.Cl,0.5205765962600708
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.7469772100448608
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.3397004306316376
+CCCCCCCCCCCCOS(=O)(=O)O,0.07445232570171356
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.06187409907579422
+OOC(N=NC)(C)C,0.7991202473640442
+CCCCC/C(=C\c1ccccc1)/C=O,0.32409918308258057
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.20029184222221375
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.1789596974849701
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.417982816696167
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6133553981781006
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.1791517734527588
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.14360292255878448
+Nc1cccc2c1snc2Cl,0.7620104551315308
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.7235882878303528
+Nc1ccc(cc1)Sc1ccccc1,0.5710132122039795
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.5755008459091187
+Oc1ccc(c(c1)O)C(=O)O,0.12422951310873032
+Nc1cccc2c1c1ccccc1cc2,0.8880494832992554
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.8772659301757812
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.6059572696685791
+CC(CC(=O)CC(C)C)C,0.06551701575517654
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.891548752784729
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.4487677216529846
+CO[P@](=O)(NC(=O)C)SC,0.6194416284561157
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6793719530105591
+ClCC(CCl)Br,0.653573215007782
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.6851308941841125
+Nc1sc2c(n1)c(C)ccc2,0.7807868719100952
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.8411296606063843
+Clc1cc(O)c(c(c1)Cl)Cl,0.11341606080532074
+OC(=O)[C@H](O)C.[Na+],0.13825623691082
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.814759373664856
+COc1cccc(c1C(=O)N)OC,0.26627129316329956
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.04642856866121292
+FC(Oc1ccc(cc1)N)(F)F,0.3914550840854645
+C[n+]1c2ccccc2cc2c1cccc2N,0.9275556802749634
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.693185031414032
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.16122229397296906
+OC1=C(O)C(=O)C1=O,0.49982938170433044
+ClCCOC(=O)Cl,0.7704296112060547
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.18471787869930267
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6707013845443726
+CC(=O)NNC(=O)c1ccccn1,0.2792963683605194
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8045097589492798
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.5130358338356018
+CCC(=O)O.[Na+],0.08558015525341034
+C=CCc1ccc(c(c1)OC)OC,0.33634430170059204
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.4268462061882019
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.8887168169021606
+N#Cc1ccccc1,0.31568172574043274
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.03446256369352341
+BrCc1ccc(cc1)CBr,0.5012432336807251
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.11327604204416275
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.23941239714622498
+COCC=O,0.502251148223877
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9142599105834961
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8339203000068665
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.3585076332092285
+[O-][N+](=O)c1nccn1C,0.8279806971549988
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.06553132086992264
+CC(Nc1ccccc1)C,0.17228183150291443
+[O-][N+](=O)c1cccc2c1cccc2C,0.9122301340103149
+O=C1NOCC1(C)C,0.37183183431625366
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.7927857637405396
+C=CC(=O)OC(C)(C)C,0.1808682084083557
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9734560251235962
+Fc1ccc2c(c1)sc(n2)C(O)C,0.3870038688182831
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8296146392822266
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8603712320327759
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.24103359878063202
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.28812217712402344
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8606072664260864
+O=C1NCC[n+]2c1cccc2,0.1705740988254547
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.777501106262207
+O=NN(C(=O)N)C,0.8322574496269226
+CCN=NC(OO)(C)C,0.7727419137954712
+ONc1ncnc2c1nc[nH]2,0.29910510778427124
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.26665180921554565
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.7141603231430054
+CNC(=O)O/N=C\C(SC)(C)C,0.4221324026584625
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.548384964466095
+CCC(=O)Nc1snc2c1cccc2,0.4070107042789459
+COc1nncc2c1nccc2,0.5549983382225037
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8666685819625854
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9211376309394836
+ClC(c1ccccc1)Cl,0.7027219533920288
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.7893403768539429
+CCCC[C@H](COS(=O)(=O)O)CC,0.1050967425107956
+CC(C1CCC2(CC1)OC2)(C)C,0.2543851435184479
+Nc1ccc2c(n1)n1ccccc1n2,0.8371852040290833
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.3728869557380676
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.7919334173202515
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.4812190532684326
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.8959562182426453
+OC(=O)C(Cl)(Cl)Cl,0.42855173349380493
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9724081158638
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.31242626905441284
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7978845834732056
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8825005292892456
+[O-][N+](=O)c1cccc(c1N)O,0.8499155044555664
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.491441011428833
+ClC1OC1CBr,0.9770056009292603
+CN(C(=S)SSC(=S)N(C)C)C,0.5445061922073364
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8585088849067688
+[O-][N+](=O)c1cccc2c1csn2,0.578964114189148
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.8399789929389954
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.8185631036758423
+NCC[C@H](N)C,0.33266520500183105
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9511065483093262
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8337699174880981
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.26077717542648315
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.49035120010375977
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.7644752264022827
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.6795336604118347
+CSCNc1ccccc1,0.44387882947921753
+Fc1ccnc2c1cccc2,0.26149222254753113
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.23506911098957062
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.4791066646575928
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.4006803035736084
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.15183241665363312
+COc1nc(C)nc(n1)N,0.27277153730392456
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.25274592638015747
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.8223901987075806
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.925601601600647
+Fc1cccc2c1ccc1c2nccc1,0.6050100326538086
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.7797290086746216
+CCCCCN,0.2961917817592621
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2904529571533203
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.8976189494132996
+CC(CC(=O)Nc1ccc(cc1)O)O,0.17686007916927338
+NCC=C,0.5411108732223511
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.08851927518844604
+Oc1cc2nnsc2c(c1)C(=O)O,0.3896167278289795
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8150280117988586
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.8336633443832397
+O=C/C(=C(/C(=O)O)\Br)/Br,0.2596535384654999
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.5652685165405273
+CCCN(CCCCO)N=O,0.7074426412582397
+N#CCc1ccccc1,0.19203417003154755
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.2963957190513611
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.1883203536272049
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9258619546890259
+On1nnc2c1cccc2,0.5396500825881958
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8651834726333618
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.39967846870422363
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.4348246157169342
+C/N=N/O,0.6612075567245483
+C/C=C/C=C/C(=O)O.[K+],0.2687729001045227
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.19292455911636353
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.21229179203510284
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.7592790722846985
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.841755747795105
+O/N=C/1\C=C/C(=N/O)/C=C1,0.764717698097229
+OS(=O)(=O)c1ccccc1,0.0751970037817955
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.23498301208019257
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.3584086000919342
+COC12OOC2(C)Oc2c1cccc2,0.1978192776441574
+Cc1ccc(cc1)[N+]#N,0.7140635848045349
+Oc1ccc(c2c1cccc2)O,0.5165528059005737
+OC(=O)c1ccccc1C,0.09783504158258438
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.06590521335601807
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.2000558078289032
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.2784842550754547
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.35439562797546387
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9597784876823425
+c1cnc2c(c1)C1OC1C=C2,0.5484302043914795
+C[C@@H]1CNC[C@H](O1)C,0.18611057102680206
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9115816354751587
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7709344625473022
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.4337620735168457
+C1CCCCCC2C(CCCC1)O2,0.6522016525268555
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.16441825032234192
+CC(CON=O)C,0.7590848803520203
+CNc1ccc(cc1)[N+](=O)[O-],0.8435428738594055
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7030612230300903
+ClCCCl,0.32678112387657166
+NC(=O)c1ccccc1,0.2780451774597168
+CC[n+]1c2ccccc2nc2c1cccc2,0.7030106782913208
+N1C2C1c1cscc1-c1c2csc1,0.898825466632843
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7605111598968506
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.8737046122550964
+OCc1ccnc2c1cccc2,0.3974911570549011
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.7316664457321167
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.662510097026825
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.16794678568840027
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.048261791467666626
+Nc1c2CCCCc2nc2c1cccc2,0.7333979606628418
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.9341632723808289
+Nc1ccc(cc1)Cl,0.5881028771400452
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9071280360221863
+c1ccc2c(n1)C1OC1C1C2O1,0.3479370176792145
+NCCNC(=O)c1ccc(cn1)Cl,0.3626229166984558
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.28877443075180054
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.18604138493537903
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.43869075179100037
+C[N+]1(C)CCOCC1,0.08324907720088959
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.6029152870178223
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.3367282748222351
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.2517363131046295
+Nc1ccc2c(c1)oc(=O)cc2C,0.6476545333862305
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.16978104412555695
+Nc1nc2c(n1C)ccc1c2cncc1,0.8391876220703125
+O=C1CC[C@H](N1C)c1cccnc1,0.21381302177906036
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.23753690719604492
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.5417260527610779
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.5935148000717163
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.21018490195274353
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8710888028144836
+COc1ccc(cc1)CNC(=O)C(Br)C,0.5607040524482727
+Clc1nnc(c2c1cccc2)Cl,0.5599390268325806
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.1709890067577362
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.7802777290344238
+c1ccc2c(c1)cnc1c2cccc1,0.8363435864448547
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.058718036860227585
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.1115393415093422
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.050791122019290924
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.33315011858940125
+[O-][N+](=O)[CH-]CCC,0.6718548536300659
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0923757404088974
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.13509878516197205
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8498174548149109
+[O-][N+](=O)c1cncn1C,0.7825189232826233
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.8852243423461914
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.47602972388267517
+O1CCOCCOCCOCCOCCOCC1,0.29243966937065125
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.30332523584365845
+ClCc1ccccc1[N+](=O)[O-],0.8767180442810059
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6252871751785278
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.9175673723220825
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.21686668694019318
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.3972786068916321
+CCOC(=O)CC(O)C,0.1893922984600067
+CC[C@H]1CO1,0.7872976064682007
+Nc1ncn[nH]1,0.23410458862781525
+CC(=O)Nc1ccc2c(c1)nccc2,0.4239518642425537
+OC/C(=C(/CO)\Br)/Br,0.4777066111564636
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.10482599586248398
+C[C@@H]1O[C@@H]1C,0.4591781198978424
+c1ccc(cc1)Nc1cccc2c1cccc2,0.6585322618484497
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.24608907103538513
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.4567323327064514
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.06236324459314346
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.36941298842430115
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.42026805877685547
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.42486777901649475
+NC(=O)c1cnccn1,0.24463756382465363
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.5591194033622742
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.06435230374336243
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.219436913728714
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9473473429679871
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.09546871483325958
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.22318334877490997
+CC12OOC1Oc1c2cccc1,0.2886013090610504
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.8423486948013306
+CCN=C=S,0.6959282159805298
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.1976824551820755
+ClCC(=O)OC(C)C,0.439289391040802
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5714940428733826
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.962375283241272
+CCOP(=O)(SC(CC)C)SC(CC)C,0.21813896298408508
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.37314876914024353
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7425406575202942
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.41610750555992126
+CN(N=Nc1ccc(cc1)Br)C,0.6820443868637085
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.07254716008901596
+COc1ccc(cc1)OC,0.21320180594921112
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.47211360931396484
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.11351275444030762
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.0537940077483654
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.745019793510437
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.7601202726364136
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.5030633211135864
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7429079413414001
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.15855489671230316
+OCNC(=O)C=C,0.1970748007297516
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.6486204862594604
+[O-][N+](=O)c1cccc(c1C)N,0.8852807283401489
diff --git a/crossvalidations/cdk/tensorflow/pred.lr2.v4.csv b/crossvalidations/cdk/tensorflow/pred.lr2.v4.csv
new file mode 100644
index 0000000..94e36f6
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/pred.lr2.v4.csv
@@ -0,0 +1,8084 @@
+name,pred
+C1CC=C2C(C1)CCc1c2cccc1,0.2956957478068695
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.7936350602645487
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8799526808554055
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.927367989169652
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.13899592078276538
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.22643175170411584
+CC(=C)C(Cl)C,0.28477754456557763
+Oc1ccc2c(c1)oc(=O)cc2C,0.3552415572577895
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.5976648847686099
+C1COCCS1,0.08706974483594235
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9097528045940925
+C/N=N/O.[K+],0.6748285724464045
+COC(=O)c1ccccc1C(=O)OC,0.20497662012087312
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.5890991121822159
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.5940494465379541
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.8373196544994395
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.8041295113838843
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.016679668862528692
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.23447870483333105
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.6539988348041134
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.263083438461814
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.31303357602016313
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.0718845719689068
+NNC(=O)N,0.7182534742782924
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.750750800952451
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.17100744892583233
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.5670003166528736
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.31997469147358465
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8537413426804107
+CN(C#N)N=O,0.9180985154091745
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.053767231722662526
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.6468391372979067
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.749406496435088
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.03380571894192445
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9857662087742345
+O=C1C=CC(=O)c2c1c(O)ccc2,0.5453202545769947
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.6389660462125495
+Oc1cc2ccccc2c2c1cccc2,0.6598649467606448
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7835573289630596
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.11760462116724107
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.0379564332404977
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.47190479229118953
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.2562425745571663
+Cc1ccc2c(c1)nn[nH]2,0.8145995443931454
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.37907489876073425
+ClC(=O)c1ccc(cc1)C,0.526140347419324
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.976059675716699
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.14875921067410108
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.059266917655364265
+O=Nc1cc2OCOc2cc1O,0.7807522315771219
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.511689392677568
+NCc1cccc(c1)CN,0.20942191147325065
+CC(COC(=O)C(=C)C)C,0.22696950797907325
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.32754237930281094
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.6529743990085707
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.0662430612015861
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9343548143897682
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.41168533249888173
+OC[C@@H](CCl)Cl,0.7412896802365355
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.4448026493200948
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.7268961966897282
+SC(=N/C=C/N=C(S)S)S,0.605983037057385
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.1915259498385396
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.09935820877691232
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.07741580147925174
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.6261696522374107
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.9472956792579609
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.04339155865531974
+CCCCOC(=O)CCC,0.12848259845627596
+OC1=C(C)CCC1=O,0.4791420133570981
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9895459074419151
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9755545226124057
+BrC(=C)C(=O)C,0.09175762298906462
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7676069842794447
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.7125101933599833
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.20622496100634133
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.2394755186530314
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4733330382358509
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9068099241405592
+OC(=O)C(Cc1ccc(cc1)O)N,0.06864100485101024
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.8291655141776612
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.6903068931684961
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.23551959522050606
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8394871656209034
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.16031236381500458
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.6634971534296386
+C1CCC[C@H]2[C@@H](CC1)O2,0.3879296329337942
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.912399033019566
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.47903247511427544
+CC(=O)Nc1ccnc2c1cccc2,0.3713817166211007
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.10832621609998755
+CNC(=O)ON.Cl,0.6759155703341174
+CCCCOCCOCCSC#N,0.42777556177193327
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9662126348276664
+OC(=O)C(CCl)Cl,0.7032955594618326
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.9198789711034228
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8477036374271562
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.3895948219742498
+OC(=O)/C=C/c1ccc(cc1)Cl,0.08330885062907893
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.03791877574111074
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.7467328104695533
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.20458964762664444
+C=CCOC(=O)C=C,0.2635485786815943
+O/N=C(/c1ccc(c(c1)O)O)\N,0.6876384156238452
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9747389333566399
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8882079624539148
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.66497807647944
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.1222765879041101
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.7001247799026699
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.8153209141759585
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.15950069504585185
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9517213906730629
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.30626989314544556
+CCO,0.042574562418763555
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.3572572274854707
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.1262120124202895
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.8774664130859549
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.03478741531727806
+CCCCCCCCO,0.09180919060200281
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9838973402446894
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9531487900670583
+OCC(CO)O,0.10103766233731311
+NC(=O)NCC=C,0.6399248914798665
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.816652534976048
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.17351910784003027
+O=NN1CCCC[C@H]1C,0.7548009994160794
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8424894086737125
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.03176711736148513
+n1ccc(cc1)c1ccncc1,0.33680839358844017
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.9187217103526258
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.37163891666838633
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.3668701856430904
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.2811730286845616
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.4298504631957413
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.7589671668831007
+Cc1c2ccccc2c(c2c1cccc2)C,0.7704966955523402
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6757406831789928
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.046649427413288966
+C[N+]1=CC=C(CC1)c1ccccc1,0.18337784688847036
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6832601002978977
+Cn1c(N)nc2c1cccc2,0.627969054216977
+COc1ccc2c(c1)nc([nH]2)N,0.6672698421356366
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.715961208035247
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.6092322133148793
+Nc1cccc(c1C)N.Cl.Cl,0.7181060551441868
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7751533690049616
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9149065678279896
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.42688482028578434
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.7754813875258048
+C[C@H](CNC[C@H](O)C)O,0.06605845002711762
+O=Cc1ccc(c(c1)Cl)Cl,0.30738212957657013
+ONc1ccc(c(c1)C)C,0.6431505932182189
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.1683635771967928
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.6731643618185388
+CCCCN(COC(=O)C)N=O,0.8753567712677958
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.4018433078084359
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9674100946248125
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8689559922284007
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.7318692442688028
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.03201404735314482
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.8332613381101338
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.45352129575748634
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.6168753999886002
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8325064455046326
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.962205786537653
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.08909278173239969
+OC(C(F)(F)F)C(F)(F)F,0.07186792806557457
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9333187693303611
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8220772241868869
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.4799319756689873
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5086935261696627
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.8334506451520356
+C=CC(=O)OCCCCCOC(=O)C=C,0.4298359454436156
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.9487947397676766
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.5135916859396213
+OC[C@@H](CBr)Br,0.9139617589135514
+Cc1ccc(c(c1O)C)C,0.08907365948213909
+ClN1C2C1c1ccccc1-c1c2cccc1,0.9559965176452525
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.41483083278423205
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.19230171902545984
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.45837058617764637
+Fc1cnc2c(c1)cccc2,0.3494478197805878
+O=CC=C(C)C,0.3394978697852501
+O=Nc1cccc(c1C)[N+](=O)[O-],0.8874230151155346
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.7306474531703252
+CC(=O)Nc1ccc2c(n1)cccc2,0.42476108879286995
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.5010042287464588
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.15194342603483652
+ClC(C(Cl)(Cl)Cl)Cl,0.5589439045057345
+[O-][N+](=O)c1cccc(c1N)N,0.8938582698606636
+COC(=O)c1ccc(cc1)C(=O)OC,0.2248340030385589
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3625993940992914
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.23691554178589075
+BrC(C(Br)(Br)Br)Br,0.6732540967450847
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9748001689690794
+CCNc1nc(NCC)nc(n1)Cl,0.11400078932721142
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.6731643618185388
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.3304738190464203
+CCOC(C(=O)C(O)O)C,0.1655583637066154
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7193288098220689
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.9297475589617249
+NCCc1cc(O)c(cc1O)O,0.48718791805833633
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9947947060132669
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.5597019859533309
+Nc1nc2-c3cccnc3CCc2s1,0.8479078301763998
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.2971908678536861
+[O-][N+](=O)c1ccccc1N,0.8178717648524374
+ClCCNCCCl,0.8728302554824265
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.3381879737709293
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.43206302653933915
+Oc1ccc(cc1)[N+](=O)[O-],0.7955621961326629
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.01630463037747969
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.8936091804631283
+ONc1ncnc2c1ncn2Cc1ccccc1,0.6244922874725166
+O(Cc1ccccc1)C[C@H]1OC1,0.8851627917048979
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.8551088123991925
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.48761748565399277
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.2422386744790462
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.37238820011459844
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9696357608795926
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8897812947004113
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7212771485285865
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.15245168282959154
+Nc1cccc2c1nc1c(N)cccc1n2,0.8874683100934436
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.07861174631454791
+COc1ccc(cc1)C=O,0.3289145683706548
+CN(C(=O)C#N)C,0.23501986274288617
+CCCC(=O)Nc1snc2c1cccc2,0.22340576840002443
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.38597723033867776
+Clc1ccc(cc1)[N+](=O)[O-],0.6233332319868339
+OCc1cccc(c1)[N+](=O)[O-],0.7127069957607499
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.11516178332475187
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.05606441702588612
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.22482508597425824
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.63717972310647
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.07638863275475995
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.5819152487341366
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.5190249265176445
+CC/C=C/C=O,0.32695002619563795
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.09072827828850351
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.08744898843954695
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.25719771377541567
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9559965176452525
+CCCCCCCCBr,0.3652534413757845
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9864953769405588
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.10452254099367583
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9610343578755385
+C1CCC(CC1)N=C=NC1CCCCC1,0.15445960381102727
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8455865832088525
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9148170123529
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.13996649633441471
+O=C1CCC(=O)O1,0.18890542547927106
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9792112978654689
+[O-][N+](=O)c1cccc2c1nsc2,0.8323268314282013
+CNC(=O)NO,0.36388382989117735
+Nc1ccc2c(c1)ccc1c2cccc1,0.9572988650623616
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.14057238382298154
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8517950115665687
+OC(=O)/C=C\C(=O)O,0.08627759266728885
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.008887819733356853
+CC(=O)OO,0.5451678282650072
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.3554289710991057
+COC(CCOC(=O)C)C,0.3797583288097464
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.34846973345177
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.863137275953275
+CCCC[C@H]1CO1,0.8026855590592321
+C1CC2OC2CCC2C1O2,0.6728614930575179
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7506859906788358
+Oc1c2ccccc2nc2c1cco2,0.4194877809033016
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9843425635324133
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.3467271818445671
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.2268827533988628
+Fc1ccc2c(c1)nccc2,0.4898143015628231
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8289727618520873
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9811689877777608
+Br[C@H](CBr)COC(=O)C=C,0.5341289369473514
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.44618532671770705
+ClCc1ccc(cc1)OC,0.5045915608356476
+ONc1cnc2c(c1C)nc1n2cccc1C,0.8689023142305098
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.28123867946741277
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.890012039998871
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.572223526003315
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8692115061052554
+OC(=O)C[C@@H](C(=O)O)C,0.07977531476849259
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.8790617043149573
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.6454262464414278
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.04123443461811499
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.828949687338368
+CC(Br)Br,0.6684695156384457
+Nc1cc2nc3ccccc3nc2cc1N,0.932129366917529
+Nc1ccc(c(c1)Cl)C.Cl,0.7814809213422166
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.11825772929160003
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9931254044840568
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.24866385558271334
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7669746611620598
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8485383621201804
+C=CCCC(C=O)CC,0.1465888610932747
+CC/C=C/[C@H](C=O)CC,0.13732200038103726
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9542224685836421
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.4833934812855885
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.8566232294814433
+O=C1NCCN1c1nccs1,0.5202443922158142
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.7424393290771087
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.9386838879942454
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.4439940093941036
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.2463655940696602
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.1166542077686298
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.862481376960839
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.016817370933399984
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.04187578660352673
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.2695803232538288
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.930558747300082
+OCOC(C)(C)C,0.027795519123071127
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8119913956839617
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.6412228265398959
+O=Cc1cccc(c1Cl)Cl,0.28453211811692963
+Clc1nc2ccccc2nc1Cl,0.1550409090613542
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7753330474491791
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.3073629883558403
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.11394857313516162
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9886994898637455
+ICCc1ccc(cc1)OCc1ccccc1,0.3630303341400053
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.7813145081910225
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.2320027369957345
+N#Cc1cccc(c1)C#N,0.1700528303644861
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.876612719284163
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.8823701583977015
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.145116460207422
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9230465016805257
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.7777754173337623
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.80370688528485
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.6876295074445644
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.47575399079692254
+C/C=C/c1ccc(cc1)OC,0.5038059661961714
+NNC(=O)CNC(=O)C=N#N,0.9409183593772952
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1757554873749569
+Cc1ccc(cc1)N=NN(C)C,0.7420505642749216
+ClCCC(=O)N(c1snc2c1cccc2)C,0.681281194516668
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7336887938316758
+CC(=O)Nc1cccc2c1nccc2,0.46111768383296303
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.8057216598664833
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.16127733447984685
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.11942549974511901
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.5566122053862804
+BrCc1ccc(cc1)Br,0.44373065542082507
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.6664173651427289
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.37597475323361873
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.14345524824154943
+C/C=C/C,0.1461646565980303
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.859442810840101
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.7038193811539784
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.1490323188159956
+O=C1NC(=O)NC(=O)C1(O)O,0.1301630823028794
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.04854946321323663
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.7689721868399416
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.6476857665230297
+Nc1nc2c(s1)ccc1c2cccn1,0.9419418229518257
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.12318553106182523
+CCCCOB(OCCCC)OCCCC,0.04390632361510797
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.3280245548543779
+CC(=O)c1ccc[nH]1,0.5439387188257341
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.03673871709261178
+Clc1ccc2c(c1)nc([nH]2)N,0.5142950570108443
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.3345461093219266
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.19462606467484522
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8350123670987708
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.04459111124130974
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.3416311116787056
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.04584624731508321
+CCCCSCC[C@@H](C(=O)O)N,0.23964187557765387
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.708076567280182
+Cc1ccc2c(c1)nc(n2C)N,0.7069326621856806
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8410969506518179
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.04247084050573478
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.9017115701261403
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.11453002425792021
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.4408750944435027
+c1cnc2c(c1)CCC1C2O1,0.291944750508261
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.3707174941175422
+CCCCN(CC(=O)C)N=O,0.8809992205231838
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.13132517530474153
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.7320775355024202
+ONc1ccc(cc1)Oc1ccccc1,0.7606575908309996
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9772378301420398
+CCOC(=O)CNC(=O)C(Br)(C)C,0.5612132299682687
+CCC/N=N/O.[K+],0.7647577371647349
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.7730062865612576
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.4922501829920818
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.12727353692369428
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.8584996561315033
+Cc1cccc2c1cc1ccccc1c2,0.8948188765272305
+Cn1ccnc1S,0.323187872726012
+COc1cc(cc(c1O)OC)C(=O)C,0.21883212962730597
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.18758065280704156
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.41968832569976616
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.46977945998784054
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.654027389275639
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.3712724883835763
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.20456687873374957
+NCCNCCO,0.42798842627938194
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.7250413964242592
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.7164302951882043
+Cc1cccc(c1)N.Cl,0.5876868414007175
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.03047793239865896
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.87749675389366
+CC(=O)Nc1ccc(cc1)N,0.54662796707427
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.9052520438452158
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9745537460828576
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.421674136061258
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.1963923361768486
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9237118756719133
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7498814400857617
+OC(=O)CCN[N+](C)(C)C,0.03961405596155887
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.985420712182528
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.5135916859396213
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2287480772898074
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.18779239140490434
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.670445598317613
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.5869603367464079
+Clc1ccnc2c1cccc2,0.4347398548272285
+OCc1ccc(cc1)Br,0.23261590152971073
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.01708878191905704
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9286015728000074
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.8671682646603952
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.05612116568631086
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.3309846333051524
+Cc1nc2c(nc1C)ccc(c2C)N,0.7486717378224944
+CC(c1ccccc1)Cl,0.5820677558156035
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.24795899282456882
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.985513656860776
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7311061636807474
+OCCN(CC(=O)O)N=O,0.5717088708721448
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.04650182309974504
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.522801345279416
+C[Si](N=N#N)(C)C,0.8476817032293796
+O=Nc1ccc(cc1)N(C)C,0.889075922141762
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.04903345626264296
+O=Nc1ccc(cc1)Sc1ccccc1,0.7696695353232937
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.701275935122024
+COC(C)(C)C,0.09007273226113093
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.4851313896007815
+ClCCN(c1ccc(cc1)C)CCCl,0.8153323905119334
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.1958621754983838
+CCOCCOCCOCC,0.3385889110356767
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.7841945064021656
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8539582649339883
+C/C=C(/C=O)\Cl,0.650951306238042
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.21792075773285496
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.4306814466407621
+OC(=O)/C=C/c1c[nH]cn1,0.06005247521077534
+NC(C(=O)O)CSC(C(F)F)(F)F,0.3608109077201514
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.14663082874188912
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.7434469248991984
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.08499709546905948
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9735015990504656
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.37523626476341143
+Clc1ccc(c(c1)Cl)N,0.6517614371302725
+CCCC[C@@H](C(=O)O)CC,0.016093412355216316
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.1027689687155445
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.115608244343067
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.2497256159840276
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.5816211758268148
+[N-]=[N+]=NC[C@@H](CO)O,0.9480049952808486
+CC1(CO1)C=C,0.5779482241831743
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6626628521771131
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.04376565658105707
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9032134287385823
+O=CN(c1ccc(cc1)c1ccccc1)O,0.8015593130688704
+CC(=O)CC(=O)C,0.08372406354570515
+OC1CC2C(C1(C)CC2)(C)C,0.011574890249103244
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.6067085666685131
+NC(C(=O)O)Cc1ccccc1,0.06359713727648884
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.6194784175186299
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7047637842774866
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7364795907712366
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.05222359262137316
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.682986718641152
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.8801303753427896
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9217689025249894
+O/N=C/c1ccncc1,0.43711509341000715
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.04376058615678563
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8205136150230022
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.916612600595966
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.968561777265852
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8972260834279208
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.0076981643697670845
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.6092322133148793
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.03712846866359956
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9310720300682728
+O1CCOCC1,0.07021082353821832
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.09738273756026157
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.04203531305814644
+c1ncn[nH]1,0.17912734088509388
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.16319415446316432
+C=CCCCC[C@@H]1OC1,0.8540168902010233
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.18193117806046585
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.46660184770916974
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.30772775580375
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8039844861897941
+CN(N=O)CC,0.8967577722168473
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.3125967567853413
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.5349695531898675
+CC(=O)c1cccn1[N+](=O)[O-],0.8362317760799596
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7688707837441084
+Cl[C@H]1O[C@H]1CBr,0.9932274691264533
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.3632025391625383
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.3078882125436473
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.041555915766819884
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.38023500742653493
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.5998340431640365
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.11671375968245509
+O=NN1CCC[C@@H](C1)C,0.7636754001990654
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8056466582460668
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.09649179470104095
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.16387234495219877
+OCC(=O)N(c1ccc(cc1)Cl)O,0.30979103560671967
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.8750899642928098
+OC1c2ccccc2Oc2c1cccc2,0.2541472947572743
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.07927210991111254
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.665671614640754
+ClCC(=O)Nc1c(CC)cccc1CC,0.3846134300576245
+Nc1nc2c(n1C)ccc1c2cccn1,0.8960438325946632
+Clc1cccc(c1NC1=NCCN1)Cl,0.40071009519208034
+CC(C(C)(C)C)OP(=O)(F)C,0.05381819964798791
+CCN(CCCC(=O)O)N=O,0.8170409395369284
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.883437776923632
+C=CCc1ccc2c(c1)OCO2,0.43652976962033085
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.11967317655505054
+OC(=O)/C=C/Cl,0.7221371306806883
+O=CC=CNCCCCC(C(=O)O)N,0.3590073329384192
+CNc1ccccc1N,0.7982627374221493
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.03718261476639926
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.45794622196019436
+O=NN(Cc1ccccc1)Cc1ccccc1,0.6459613787861529
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.17270466263284395
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.4644395016267737
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.0397590361969444
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.17061530622047721
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9405209623185721
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.011034679626437076
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9252901039419797
+Cc1cccc2c1nn[nH]2,0.8582348194902543
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0613429606133029
+O=C1NS(=O)(=O)c2c1cccc2C,0.2832664860377328
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.1925727155894638
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.9110404584514112
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.7295539744428845
+OC(=O)c1cc(Cl)cc(c1)Cl,0.12215761107647556
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.8793478170202196
+Cc1ccc(c(c1)N)C,0.4849036003284333
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9875148343515817
+CCCNc1snc2c1cccc2,0.5783764143525659
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.9452907389955068
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.8616743839277881
+CC[C@H](c1ccccc1O)C,0.041372177071633674
+CNC(=O)NC,0.16284080060866463
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8298571072997261
+Nc1cccc(c1C)N,0.7181060551441868
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.4058344050371627
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.2597766174421319
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.08627759266728885
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.032948935090686506
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.24313323065958617
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.04971470064274103
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.12049962023244669
+Fc1cccc2c1nccc2,0.3661287460509333
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.03797607390421094
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.5120194975990767
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.21126492938766847
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.7075796999797127
+OCC1CC1,0.3257536299182342
+ClCCN(C(=O)NC1CCCCC1)N=O,0.8931318462633918
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.6621736908576765
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.0104235123139973
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.4298504631957413
+CC/C=C/C,0.09860403631505969
+ClC(c1ccccc1)C(=O)Cl,0.4105388317386698
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.49123682166476185
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.030111659811097684
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.7268961966897282
+OCC(C(=O)O)N,0.12614190584847343
+OCC=C(CCC=C(C)C)C,0.14928042353960805
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9837073292707662
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.890002937146629
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8994156361099038
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.706818487098144
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.6805993139371442
+C=CCc1ccc(c(c1)O)O,0.3340450450034063
+FC[C@H]1CO1,0.934658060735825
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.009624134725910026
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.17410516505307622
+CCCC(=O)Cl,0.4096653832441114
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8941262571968468
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.2568725440647886
+OC(=O)Cc1ccc(c(c1)O)O,0.06967621490488508
+CSCC(C(=O)O)N,0.17895303514258004
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.40607958618874496
+O=NN(CC(=O)O)CC(=O)O,0.2758357147292865
+OCC(Cl)(Cl)Cl,0.5060714201359527
+ClC(=O)c1c(Cl)cccc1Cl,0.1791081086208439
+Nc1cccc(c1)Cl,0.556770006869895
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.35590799520294075
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.7632094722244885
+Clc1ccc(cc1)[S@](=O)C,0.2842528454983148
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.7502722200178061
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.4497827676086334
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.5600504689960211
+CCCCCCOC[C@H]1CO1,0.8365213412362502
+NC(C(=O)O)Cc1ncn[nH]1,0.030312275664575686
+Clc1ccc(c(c1)Cc1ccccc1)O,0.12161667885111162
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.9141405558806381
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.8613504736271352
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.05785237161967083
+CC(=O)Nc1cccc2c1ncc(c2)F,0.26507970316639845
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.5111562636612168
+O=NN1CCN([C@H](C1)C)N=O,0.8886634638938399
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.5163162291202057
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.844266245819531
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.6310119518899974
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.8674534506246768
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.6427849260514034
+Nc1nccs1,0.5823909890924862
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.17195225376793452
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.8509834562347933
+O=C1C(O)CC(N1C)c1cccnc1,0.058330789814534205
+OCCCCN(N=O)C,0.9016033067572613
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9153194756718985
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.6580929069571372
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.19081435786658066
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.12392185522479227
+OCC[N+](C)(C)C,0.01373620829921106
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.928195662891773
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.7549271513656851
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.6887560560410184
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.038209988754132014
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.04629089253447233
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8085550581806258
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.8308327669308446
+FC(c1ccccc1)(F)F,0.23199796292447442
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.01290470485584688
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9608059505333633
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.7510322032922295
+Ic1cc(Cl)c2c(c1O)nccc2,0.353362543781801
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.5169686157937976
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7332367147567458
+Fc1cc2cccnc2c(c1)F,0.38073144999730046
+Nc1cccc2c1ccc1c2cccc1,0.9517711876331935
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.6756783522381302
+CCCCN(CCC)N=O,0.7811870997053494
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.10935937717155562
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.007804575798203774
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8412993886392202
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.1456246539695377
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8940980037484909
+c1ccc2c(c1)[nH]nn2,0.6861145260642326
+O=NN1CCCN(CC1)N=O,0.6893626275574611
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.2994266033199017
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.704468874414801
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.10429943929395004
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.36263117077347234
+ON(c1ccc(cc1)Br)C(=O)C,0.3791425196275955
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.40385144014717056
+O/N=C/c1ccccn1,0.26925737372907615
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.045970589479962916
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.03903878205751463
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8973757502251981
+CC(OC(Cl)(C)C)(Cl)C,0.017068464976135782
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9566435943802769
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.735221131229844
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.581050427806624
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.5070348661243969
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5706140913024242
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.14149045939319896
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.7607022493875425
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.05088944290421479
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8291902537655894
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.03135903964370282
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.7632309008220988
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.0781531992197285
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.29003246686960854
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.09372083573561658
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7541108215317127
+NCCc1c[nH]c2c1cccc2,0.7582703948781835
+CCN/N=N/CC,0.9304298763164536
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.5228652671603261
+Clc1cc(Cl)c(cc1O)Cl,0.1259840647736404
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.7322420695657814
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.1046182846311568
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.2999022025424293
+CCNc1snc2c1cccc2,0.7539917686907073
+CCCCCCCCCCC,0.08947846726314766
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.8583031116744583
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7131349684755441
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.42982692635719055
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.7950472445630564
+CCOC[C@H]1CO1,0.8944004765433671
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5643507366229794
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.4992637140168504
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.3362899736486418
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.8192755250949306
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.20273747254473157
+COCCOC(=O)C=C,0.4054232164509968
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.052937670739416263
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.6475478483552042
+Ic1cccc(c1)[N+](=O)[O-],0.48995201064297694
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.2760734268657464
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.007777256856243841
+CC(=O)NN,0.6632590388734594
+CC(=O)C(=O)C,0.21558775364466606
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6642734615178533
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9512686782554861
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.6324746050204735
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.880905014939403
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.767655415027316
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.381614917873478
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.11879137675872221
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.2049291830661267
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9886809371223619
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.5266705121625811
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.15584166416896264
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.7694882193525391
+CN=[N+](C)[O-],0.2776996650472964
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.5917833694061542
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.11720341884474153
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.8373170612677131
+CCCCCCCCCC(=O)O,0.039007175320737206
+CC/C=C/CC/C=C/C=O,0.3609273353712892
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.3071939557394952
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.08674883153074563
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6257808183519408
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8798614275057871
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.3505892739987
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.4711109627056073
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.786098519811278
+OCc1ccco1,0.25967132830315204
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.5544110285805831
+OC(=O)C(=O)O,0.08858816308466563
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.8246111224155814
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.15893540046393614
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.06368399979544616
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.8835717388431116
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.9468124203317932
+NC(=O)CBr,0.928171108591033
+CCCCCC,0.040341751825976664
+NCCCCC(C(=O)O)N,0.20848589534154513
+Cc1cc(C)c(c(c1)C)C,0.07038326423689585
+Oc1ccc(c(c1)C)C,0.11900375699606296
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8902818408747664
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9757471302489412
+Cc1ccc(cc1)Cl,0.21203988161946333
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.2712079926941245
+O=C1C=CC(=O)N1,0.1055629413813239
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.636427541391013
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.4103435919628567
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.060721680728339646
+CC(C(=O)NCc1ccccc1)Br,0.6486108317951912
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.6414744397187158
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9833154551490152
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3007048541168886
+N[C@H](C(=O)NCC(=O)O)CS,0.5696109495229182
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.41937897923958817
+C[C@H](C(=O)NCC(=O)O)S,0.46440487672209985
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9254527196606288
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.6463764309482243
+ClCC(=O)Nc1snc2c1cccc2,0.7565118577304774
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9948679228065831
+CC(C(O)C)O,0.06208140414828725
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.21611174769751
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.5375901458814125
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.025859599457178733
+ClCCNc1ccc(cc1)C,0.851513889148673
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.02051718156470489
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.6092654896084981
+CNP(=O)(N(C)C)N(C)C,0.03151054328179362
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.08233083989485245
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.16422706619318653
+CC[C@@H](CN)O,0.07590490988213179
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.7579903967653919
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.10798776638099568
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.22972479505513943
+Brc1ccccc1,0.13689914394871455
+O(Cc1ccccc1)Cc1ccccc1,0.2069972826816564
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.5324587830453567
+OCC#CCO,0.040107624947317864
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.8844096992133555
+O=C=Nc1cccc(c1C)N=C=O,0.6381129085677316
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.9056936751230666
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.38179157306800676
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9756713065536269
+OC(=O)CS,0.21793631585983797
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.44157313940335874
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.8803397711175392
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.45475140297069044
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.007603142047933511
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.91402999745849
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.08626222088976125
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8584742729193862
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.2635588977400911
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8090931341981273
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9316459538144736
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.9040836962307697
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.08180831839517243
+C=CCOC(=O)COCCC(C)C,0.27049960914737686
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.7921918428708429
+CSC(/C=N\O)(C)C,0.45231969149883566
+ClC/C=C/Cl,0.894057458043026
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6271224404783508
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.8834346007652555
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.13248640722043906
+FC(C(C(F)(F)F)F)F,0.11786120749708395
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7765796179446693
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.6408512172697768
+Clc1ccc(c(c1)O)Cl,0.12515594240545241
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.2609481106692406
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8785929538120965
+CCCCN(CCC(=O)C)N=O,0.8615206399669845
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.03988784673220959
+O=C1C=CC(=O)C=C1c1ccccc1,0.48192455534467
+Clc1ccc(cc1N)C(F)(F)F,0.5110536230653923
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9146187023231367
+CCOP(=O)(N(C)C)C#N,0.1473174732602954
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9825306203470193
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.1554685938545707
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.6305378622223834
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.5349601724835134
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9384836591957377
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.050866618232930406
+O=NN1CSCC1C(=O)O,0.8222554756237095
+COP(=O)(OC)OC,0.38996798853026765
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9661376936240083
+CC(CO)Cl,0.5428493472030815
+C[n+]1c2ccccc2cc2c1cccc2,0.8097322316557428
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8681590262611786
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.910366831026879
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.6888965100184365
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.85440380582179
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.36578447847758616
+CC(N=C=NC(C)C)C,0.05330370272655364
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.7659110353019686
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9234666523244879
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9283437295529701
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.972510158675958
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.43614993759538495
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.5935370566224216
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.04347178912671633
+Clc1cncc(c1)Cl,0.1344514140132995
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9663350775244332
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.47004935822718036
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8700312774770524
+CCCCCCCC(=O)Cl,0.09370521302967283
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.032523330850593044
+Cc1nc(N)nc(n1)N,0.40988063526882784
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7444249267756223
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.6105388023514006
+NC(=O)OC1CO1,0.9371350118058291
+Cc1ccc(c(c1)C)C,0.07686812489924828
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.7212194061467988
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9934659357359387
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8514710352871286
+O=C1C=CC(=O)C=C1,0.26386729730885583
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9049834205145096
+Cc1ccc(cc1)[C@H]1OC1,0.6214599078042504
+ClC(=C1C=CC(=O)O1)Cl,0.7160395410332153
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9370804709997831
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.09227807499940055
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.4609817329728289
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7301354481817409
+CC(=O)c1ccccn1,0.2578663974361089
+S=C(NC1CCCCC1)NC1CCCCC1,0.11472388950496178
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.2640245959469471
+NNCCO,0.7574127663945018
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9465490098606758
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.8940657146451794
+CCCN(C(=O)SCc1ccccc1)CCC,0.32498510218498355
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.20467091629404713
+Cc1cnc2c(n1)cccc2,0.3346492492719127
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.18395729698004074
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.06903707184412423
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.5213325272691396
+Nc1sc2c(n1)C1CCCNC1CC2,0.5128557338228606
+ONc1ccc2-c3c(Cc2c1)cccc3,0.9247625985875085
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9875105373952479
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.0824062387128245
+Nc1ccc(c(c1)N)Cl,0.6987814021457862
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.011199682003449384
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.8308107773198509
+N#CC1=C(SCCS1)C#N,0.09556831125417618
+C[C@H](CCC(=O)c1cocc1)O,0.1487230945051282
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8195836048891493
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.5311222841940473
+CC[C@H]([C@@H](CO)C)C,0.08233458849529243
+Fc1cc2cccnc2c2c1cccc2,0.7553172894669402
+Oc1ccc(cc1)c1ccc(cc1)O,0.3666252242671906
+FC(COc1nc(N)nc(n1)N)(F)F,0.1930137656556004
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9652788103616267
+O1Cc2c(C1)cccc2,0.12902044800038714
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.3212203810779333
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.3744794625443425
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.057768380057862945
+CCON(C(=O)c1ccccc1)OC(=O)C,0.6348636218681917
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.11548128972836166
+c1coc(c1)c1nc2c([nH]1)cccc2,0.4617154847099986
+Nc1ccccc1C(F)(F)F,0.35122113894924517
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.23950943004088482
+OC(=O)c1occc(=O)c1O,0.22812405141591466
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.3752307679005369
+Cc1cc(N)c(cc1C)C,0.380392491831209
+O=Nc1cccc(c1)C,0.8109130855040002
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.7502418037422492
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.7781905129790809
+CC(=O)Nc1cnc2c(c1)cccc2,0.4091116681806041
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9894650181350805
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9810410027003323
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.9356661170539142
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9729411556723484
+C1CN2CCN1CC2,0.6523550164048577
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.09130507989621334
+FC(C(Cl)(F)F)(Cl)F,0.02622821963125731
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.15272541078398288
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2971052982158616
+CNc1ccc2c(c1C)nc(cn2)C,0.6053245048254419
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.5861071714764673
+CCCCCCCCCCCCCCCCCCCC,0.06711365876007563
+CC1c2ccccc2-c2c1cccc2,0.43193334819026
+CCCOc1ccc(cc1N)N,0.7398583598724837
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6101914063878023
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.8966867525592609
+COc1cc(ccc1O)C[C@H]1CO1,0.7901429666969833
+N1CCc2c(C1)cccc2,0.2681754882769752
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.4931504027023133
+CNCCO,0.0822968504822262
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.14421080082393356
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.973504409214671
+Clc1ccc(c(c1)N)Cl,0.5455275098547467
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.17166141081043457
+BrCc1cccc(c1)[N+](=O)[O-],0.910657256839816
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.3052296102943318
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.29966599056336957
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.028727841740686544
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.16716007912810926
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.7157956527646981
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.6516295980384661
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.6279042066318511
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.493831006897959
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.19474595222867647
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9432913176003469
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.06448785389041545
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.08588092652721088
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.657667850852997
+ClC[Si](C=C)(C)C,0.1538218252544884
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.2603226205992283
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.23604989658063924
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.5400780989288873
+CCNN=NCC,0.8730509711809613
+O=C1N(C)CCCN1C,0.3805177974502723
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.24428953501579087
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.8454259127438325
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7362733426605267
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.16547489573733445
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.43658672376035695
+[O-][N+](=O)NC,0.86119928774082
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.09676985626108268
+O=NN1CCO[C@H](C1)O,0.9315951123822183
+CCCCCCCCCCCCS,0.09397649464027626
+ONc1ccc(cc1)N=Nc1ccccc1,0.8868051993215134
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7495534206006876
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.15511257143765989
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8870124344190606
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6784119488066465
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.1857079713652012
+CCN,0.1137967930039977
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.6722321416262812
+OCCNC(=O)N(CCCl)N=O,0.974670042053285
+CCOP(=S)(SCSC(C)(C)C)OCC,0.18753250034871904
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.8962791677993608
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8783527883242144
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.42009555968136103
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.21290900022701212
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8325731793466002
+CCCc1cc(O)nc(n1)S,0.039136924824345665
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9435876958896071
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.6987677974593022
+N#Cc1cccc(c1)C,0.25642185690397584
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9095720570709368
+FC(C(F)(F)F)C(F)(F)F,0.06181694182244991
+CC(=O)N,0.2748704744254826
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.1627206803551213
+[O-][N+](=O)c1c(C)cccc1C,0.5744931325451501
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.11920536465878807
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.7480279245913544
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.17742638313386802
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.28432480749409483
+OCCCNC(=O)C(C(CO)(C)C)O,0.325029788894032
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.7849718616896617
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.26453177149422824
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9211701543597103
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8187168854215527
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.6120012556711468
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7233393112872047
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.6839297647329098
+OCCI,0.9589407735539531
+Nc1ccc2c(c1)c(Cl)ns2,0.6466763409979055
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8555983639070397
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.3179264144223055
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.5848605031097782
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.9455971961187726
+Nc1ccc(c(c1)N)O,0.59028892286207
+C/C(=N\O)/C(=O)C,0.4456440275673751
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.6618361542591586
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.15336107366832835
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.7235255346572718
+OC(C(=O)O)Cn1cncn1,0.08248711368172652
+CCOC(=O)N,0.3704713689565258
+NCCCCCCN,0.6483049561246714
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.41901040690950436
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.19358319782684127
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.020689995126143935
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.048068778704776494
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.1382196945634008
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.2959811715327076
+OCc1ccccc1,0.19663037410633138
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.228751121430294
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.683907665425268
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8265285397634874
+CCCCCCCCCCCCCCCCN,0.11658548385228991
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.07322948226301643
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.8890794678682398
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8561324608559178
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.12685530539444814
+O=C(c1ccccc1)c1ccccc1,0.2887593366894156
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.09227807499940055
+NS(=O)(=O)c1ncn[nH]1,0.3151177977557747
+OCCP(=O)(O)O,0.06317725300632135
+C[N+]1(C)CCOCC1.Cl,0.0639071763279041
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.0940848608982365
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7423247947354064
+[O-][N+](=O)NC(=N)NC,0.47354661317298974
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.7283211343705414
+O=Nc1ccc2c(c1)cccc2,0.9610993165995385
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9550028736707554
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.20676199721476235
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.8028929735128383
+ClC[C@@H](CBr)Br,0.8441144071619534
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.07788004538467783
+ONc1cccc(c1)c1ccccc1,0.8569766054656133
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5867528886878255
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.8696410816192919
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7284449901721286
+C1CCC2(CC1)CO2,0.2881079730223305
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.7356575314749603
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9656599992568998
+C=CC(=C)C,0.1731647740022081
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9509410529432643
+Cn1c(N)nc2c1c1cccnc1cc2,0.9100545640997393
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.6928282281066074
+Fc1ccccn1,0.15028009060331315
+C=CN1CCCC1=O,0.4667571745983356
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9686685836878309
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9861364674862828
+CC(CCON=O)C,0.7767435660561332
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.06436718962923327
+OC(=O)c1sccc1S(=O)(=O)N,0.366834682231083
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7862709242938589
+O=C1C=C(O)c2c(C1=O)cccc2,0.49526588482523276
+NNc1ccccc1,0.8804865771051648
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.9663788772689692
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.09486292718982867
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.36060565741198775
+Clc1cccc2c1cccc2,0.3861099615555801
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.6160160363968139
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.7864810263485373
+C=CC(=O)NCCCN(C)C,0.22023411649685387
+O=Cc1ccccc1C,0.29404224350746827
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.18846513375487173
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.6201543682819427
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9752635470532706
+COc1cc(OC)[nH]c(=O)n1,0.24083032161441553
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7547068884251779
+COc1cccc(c1)[N+](=O)[O-],0.703480283449474
+CCCCc1c(=O)nc([nH]c1C)NCC,0.10277707616831316
+ONc1[nH]cnc2-c1ncn2,0.25313522806865824
+Oc1ccc(cc1)c1ccccc1,0.33573693249848185
+C/C=C/c1ccc(cc1OC)OC,0.6776663631726382
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.28119525997312783
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.47237881344071503
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.9587194234904294
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.8546997231713886
+CSCCl,0.898751331030653
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9206289743469286
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.5646133296124718
+COC(=O)C1=CCCN(C1)C,0.17230569381498198
+COC(=O)C(=C)C#N,0.24783579930657662
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.784684218286111
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.025232835938089053
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9742177410635194
+NC(C(S)(C)C)C(=O)O,0.08796444420250596
+CC(N)(C)C,0.0461462879323313
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8534529676117403
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.7771860949424043
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6647481930827104
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.196312579790804
+OCCNC(=O)C(O)C,0.45795068790293414
+OCc1ccc(cc1)OC,0.19311850704264644
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.08538789864196218
+CC1(OC1)c1ccc(cc1)Br,0.5640621099917901
+OCCN(CC)CC,0.07545067753053364
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.37485777800506104
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9653946762585816
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.6271419089120858
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.032051159489143936
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.5044010049786684
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9630540261479775
+CCCC/C=C/C=O,0.4732213085752226
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.22400433663422128
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.7328107379174786
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.976483965922011
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.24543013596979352
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.05370036802739482
+Cc1ccc(c(c1)C)N,0.5533264033802124
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.12619865085378634
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6189284413672405
+C1O[C@H]1C=O,0.931509214154459
+C[N+](CC1OC1)(C)C,0.6358728333637905
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.20509031044103654
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.5266071365139198
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.4859592606858331
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.12301980365422982
+CCOc1ccc(cc1)N=O,0.8152875447717234
+CC(=O)C=C,0.2562581906135979
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.3455651559602293
+C1C2SCC=CN2C1=O,0.46889363975705317
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.8640213607247687
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.2650598299411813
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.5322145264141617
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.8737948561581762
+OC[C@H](O)C,0.11248981099159075
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.710313330274814
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.45696161192931095
+N#CC(=C(C#N)C#N)C#N,0.3070224694679518
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.4108643458438563
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.3880988362791073
+NCCNCCNCCNCCNCCN,0.8095778787214248
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7097495534503516
+OC(=O)C=C,0.15320709924340548
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.9579122876220885
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.9110089753785681
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.964472665950393
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9756143883114805
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.6099999594462259
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.2701741229164244
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.587339923306914
+CCCCOCCOCCO,0.22398333283976796
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.35209308253627514
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.10095658720745009
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.2910572507349329
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.19684778522048396
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.11624580045533194
+[O-][N+](=O)c1cccc2c1snc2,0.8999512037845834
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.8710360888993494
+C1CCCN1,0.11240558112763493
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.9814495153130056
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.841171444558588
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8511202203951195
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.4546565481367529
+COc1cc(O)nc(n1)NC(=O)N,0.19362361449276108
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9202749692043329
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8021419035715642
+Fc1cc(F)c2c(c1)nccc2,0.4654959291886445
+CCCCN(CC)CC,0.07787391244970866
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.5450875590100843
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9418942912728947
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.5968369741962034
+ONc1ccc(cc1)Sc1ccccc1,0.5558020067027905
+OC[C@H]1CO1,0.5878221788864999
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7589550273527922
+ClC(C(C(F)(F)F)(F)F)Cl,0.2804206706860734
+O=NN(CC(=O)C)C,0.9238736024512019
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5706898494958332
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.5182951748839134
+S=C=NCCc1ccccc1,0.24801582102079175
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.9403864399482312
+CCOc1nc(N)nc(n1)N,0.21206642585475513
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.95424961664962
+Cc1nccnc1C,0.07578323677536791
+CS(=O)(=O)C,0.12733213018231673
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.08349280308211232
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.2260567111709375
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8570151424602599
+Nc1ccc2c(c1)cccn2,0.7710389460927131
+CC1OC(C)OC(OC(O1)C)C,0.04137406846760869
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.01629153326211546
+Nn1c2ccncc2c2c1cccc2,0.9403277232705821
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.4350990183090542
+COC(CC(=O)C)(C)C,0.16326084816928602
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.7497359707151633
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.47567752984751704
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.8865606558869921
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.25326944797911005
+N#C/C(=C(/C#N)\N)/N,0.6928483816182851
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.9198205891597712
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.15708036994844948
+ONc1ccc(cc1)Cl,0.5761726875356918
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3559015730483013
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.04127170084914639
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.74878401343449
+ONC(=O)c1ccc2c(c1)cccc2,0.7799667800355067
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.1259716035439036
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.5792902140562308
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8615385657981639
+CCCCCCCCC(=O)OCC=C,0.08597766589729597
+Fc1ccc(c2c1ccc1c2cccn1)F,0.7192375316124698
+O1C[C@@H]1[C@@H]1OC1,0.9661389219643542
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.19884068643393482
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7232686906152217
+NN(c1ccccc1)c1ccccc1,0.7823900302091337
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.8066471308276496
+Cc1cc(C)c(c(c1)C)N,0.4739372485933157
+CC(=C)C(=O)OCCO,0.39999096980848575
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.017369960263492395
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.6476003906548866
+CCCCCCCCCCCCCCCCCC(=O)O,0.016630217084945324
+CCCC(=O)OC1CCCCC1,0.09404826567304606
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.42009555968136103
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8960669026139542
+COc1cc(N)ccc1N,0.823941144848991
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.19805935709865788
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7625602841181607
+N#Cc1ccc(cc1)C(=O)O,0.09277739874299482
+CC1=CC[C@H](CC1)C(=C)C,0.01758677171018654
+COC(=O)CCl,0.7778794387815394
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.13332802066100388
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.45067622448843475
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4850238754713307
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.06995854896703352
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9819995991844837
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.9467193757657554
+ClCc1ccc(cc1)OC(=O)C,0.2737474465114179
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.3992762121138801
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.24091918199295825
+Nc1ccccc1c1ccccc1.Cl,0.6933861795753268
+CC(C(=O)NCc1ccccc1)Cl,0.6014804956209062
+ClCC(F)(F)F,0.0932683093590609
+CCCCCC[N+](=O)[O-],0.30079805976800306
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.8266677984770627
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5969672107439816
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.8540274439855912
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.20000141054069903
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.8548319760249374
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8586907516498601
+CC(C(=O)O)N,0.16429668023271807
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.2702906858863587
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.2441473656818958
+BrCC=C,0.7070567837612173
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6151234875714812
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.12192630774749007
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9591279073399603
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.963910151020445
+Oc1cnc2c(c1)cccc2,0.2872824729853703
+CCCCOS(=O)(=O)C,0.23082227302503222
+Sc1ncnc2c1[nH]cn2.O,0.35806610185839005
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.25050518321345977
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.4858935082294586
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.062455064820234184
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.5516961713107471
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9438544641663635
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.7144266800724748
+C=C[C@H]1CCC=CC1,0.055503399970501265
+O=Cc1ccc(cc1)[N+](=O)[O-],0.9046341686062529
+COC(=O)CCCC(=O)OC,0.26386809639033165
+CCc1ccc(nc1)C,0.09232356161324771
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.74784889892238
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.48045311744109026
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.04345246256491863
+O/N=C/C1N(CCN(C)C)C=CN1C,0.8884970029405223
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.17081540869336842
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.8860318581791984
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.3725330017987133
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.23762015618697394
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.5583769441238875
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8844676856348631
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.11277870528129601
+Sc1ccc(cc1)[N+](=O)[O-],0.5933750152033687
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.49690557844745675
+CC(=C)C,0.04374833395624934
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6957415802400623
+Nc1ccc(cc1Cl)C(F)(F)F,0.42959992703821176
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.020353369541195702
+S(Cc1ccccc1)SCc1ccccc1,0.1689045617252714
+OCC(COP(=O)(O)O)O,0.2578830582223943
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.0923022946515222
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.557138923035298
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.07726716975301734
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.2654090557281366
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7743319298226479
+O=C(C1(C)OC1)Nc1ccccc1,0.7733543892605289
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7645654534285643
+c1ccc2-c3c(Cc2c1)cccc3,0.3990533663464463
+C[C@]1(OC1)c1ccccc1,0.5349175222967852
+OC(=O)C[C@H](C(=O)O)O,0.07077059427124707
+O=C([C@]1(C)OC1)NCc1ccccc1,0.6462308979564247
+CCCCOC(=O)c1cccc2c1nccc2,0.17351748947183498
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9761199636106996
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.929101169271247
+O=NN(c1ccccc1)c1ccccc1,0.7331440924866003
+CN(Cc1ccccc1)C,0.14662185870131603
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9810757963690864
+O=NN1CCOC(C1)O,0.9315951123822183
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.19009301869997566
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.05417454958758593
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.031943744934961237
+O=Cc1ccc(cc1)C,0.33821446872543165
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.1887147325046785
+CCCCN(/C(=N/O)/C=O)N=O,0.8709287723860913
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.890928353304367
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.5974417458906385
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.6965184531429788
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.5629463380423768
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.2293108786436492
+CCSCCSP(=S)(OC)OC,0.40171358021155296
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.07311355076274861
+C1CCCCC1,0.04980468778787671
+O=Cc1ccc2c(c1)OCO2,0.5659041311730435
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.8627017132849549
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.0636190941569825
+COc1nsc2c1cccc2N,0.8555229657196864
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.12331369917477296
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8981062352791346
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9929251078527903
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.43624091511433083
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06879058043548086
+NC(=O)c1ccccc1C,0.3322264552501502
+OCC(=O)Nc1c(CC)cccc1CC,0.22698745510559679
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9094638424098896
+C=CC(=O)c1ccc2c(c1)OCO2,0.5283037186170562
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.36518698997500776
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.8008782240789903
+Fc1ccc2c(n1)cccc2,0.4248094609674102
+CC/C=C\C#N,0.4347667750876977
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.1326566587715018
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.293822487184121
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.4249807843614851
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.677001949695155
+Clc1cc(Cl)nc(n1)Cl,0.07758518054442211
+ClC1CCN(CC1)N=O,0.9708754738124616
+CCCOO,0.43445901112192853
+OCC(C(c1ccccc1)N=N#N)O,0.7715457506628437
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.7526230955812921
+CCc1ccccc1O,0.10247936772030798
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.03743676273219627
+O=NN1CCCCCC1,0.426674466455585
+CCOC(=O)OCC,0.1672907746562386
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.25412354242648616
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9659279459694358
+Nc1ccc(cc1)CCc1ccccc1,0.5403578843052875
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.7303390045884426
+Cl/C=C(\C(Cl)Cl)/Cl,0.8252209425328504
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.10785235465968962
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.11797828178178471
+c1ccc(cc1)c1nc2c(o1)cccc2,0.20863732415022754
+CCCBr,0.5727190064170674
+CCCCNCCCC,0.10707100879130493
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6200539138218738
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.020725799728198935
+BrCC(C)(C)C,0.2439798803191106
+ONc1ccccc1C,0.6287838830502539
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.1591463704687445
+OCc1ccc(o1)C=O,0.33564928043551484
+CNC(=S)N(C)C,0.43181187135567395
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.9125658366895643
+NC(=S)NCC=C,0.8252524651031378
+Cn1c(N)nc2c1cc1cnccc1n2,0.8963769226393493
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.02623259434216301
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.23611884466509855
+CC(Cc1ccccc1)N,0.18703321125787684
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.3760475818239613
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.9208896191239279
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9733145565874844
+CCC(=O)C,0.16465411244692707
+ClCc1ccc(cc1)C#N,0.8455877387211128
+Clc1cccc(c1)C(=O)O,0.1230784064728728
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.3869126529097476
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.6661577927066228
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.5406107773896114
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.31497130037707644
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6982934077186091
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.19990535223961425
+CC(=O)N(c1snc2c1cccc2)C,0.6064964549317856
+Clc1c2ccccc2cc2c1cccc2,0.5768746285835636
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.009757979283366367
+O[C@@H](c1ccccc1)[C@H](N)C,0.13884365123098003
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.9035918689431186
+OC1CC[N+](CC1)(C)C.[Cl-],0.02378812121012044
+Cc1cc(nc(n1)O)C1CC1,0.14329844061094346
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.6291807250104464
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.8838766604744265
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.5386392857809571
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.43622147483219176
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.48884293392214
+CNC1Cc2cccc3c2c(C1)ccc3,0.2463087814850515
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.2809807633406938
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.7998059861439692
+COc1ccc(cc1N)NOS(=O)(=O)O,0.5718869652860942
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.8008782240789903
+Oc1ccc(nn1)O,0.1801129164756307
+Nc1ccc(c(c1)C)N,0.7110606641318985
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.16361557104032165
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8372710735242407
+CCCCCC(=O)OCC=C,0.090265087443129
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.14480061884228587
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.587339923306914
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.49686880811053274
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9800291804347753
+CC(C(CBr)Br)Cl,0.7920110518327542
+Brc1cc2cccnc2c(c1)C(=O)O,0.20983862126737643
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.8020116909443048
+CCS(=O)CCSP(=O)(OC)OC,0.6157294537881932
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9972745336675899
+CN(N=O)C[C@@H](CO)O,0.9112177333190681
+ON1CN(Cl)CN(C1)Cl.[K+],0.39216300923441755
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.05778903689788718
+C=CC(=O)OCCOCCOC(=O)C=C,0.5944645477540699
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9781858780968472
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9681212965116548
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9802773484654657
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.23372160439018036
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.8206642379757038
+CCc1ccnc2c1cccc2,0.3180307919984314
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.06536495790808741
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.11013845506005658
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.16275771444258716
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.09305350931868404
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.5049912291456231
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.4528015792851853
+CC(=O)/C=C/c1ccccc1,0.27318402940950554
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.8663339768973861
+ClCc1ccc(cc1)[N+](=O)[O-],0.9295975782460516
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.6271769099656629
+C[C@H](CN(C[C@H](O)C)N=O)O,0.7161315663803728
+CCCCCON=O,0.8555510699535077
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.8206851888132587
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8340816266143292
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7780147367940089
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.049483220118250876
+Cc1ccc(c(c1)N)O,0.44519358373785556
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.5134017742851544
+COC(=O)c1ccccc1CS(=O)(=O)N,0.14793515282286382
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8671528025244781
+Oc1ccc2c(c1)cccn2,0.39797795271238817
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.33080400653664954
+CNN=NC,0.913489345453152
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8097969237733167
+CCCC[C@H](COC(=O)C=C)CC,0.07095657195805347
+Cc1cccc2c1cccc2,0.5760624838058115
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.8981225150226761
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.637423549609678
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.9465466120717402
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.19430105900730452
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9327559484985629
+Clc1ccncc1,0.1014775678368147
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.025188272652472702
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.36759568952221866
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.7079639326118811
+[O-][N+](=O)OOC(=O)C,0.9323084527545435
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.46330131826522253
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.5550442114311347
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.6645686090491685
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8568242564042492
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.4752148619853159
+CSC(/C=N/O)(C)C,0.3669370266448254
+CNc1ccc2c(c1N)nc(cn2)C,0.863372238287081
+CCOC(=O)NNc1nncc2c1cccc2,0.267754785270181
+O=c1c2ccccc2[nH]c2c1cccc2,0.6235588416993081
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.7260584638670549
+O=Nc1c(CC)cccc1CC,0.29421465235428423
+COC(C(Cl)Cl)(F)F,0.6277900315632583
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.853494235180838
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.8329447916068325
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.28882280476013095
+Br[C@@H](C=O)CBr,0.9699103883731618
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.065872688448306
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.7663117444088056
+CSCNc1ccccc1OC,0.3785288182920082
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.9319663412664442
+CC(N)C,0.0984776726705
+Cc1cnc(c(n1)C)C,0.04582572792488951
+CCCCCCN(C(=O)N)N=O,0.8122073782444467
+COc1cc(N)c(cc1N)C,0.573561035381907
+CCCN(C(=O)SCC)CCC,0.48188871983980386
+COc1cc(/C=C/C(=O)O)ccc1O,0.21446282635017594
+CS(=O)C,0.1657603419771334
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.030014592190885345
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.11637811297967832
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.1383797018666878
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8680255300197623
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.34778548030926815
+Cc1cc(C)c(cc1C)C,0.037540318110303714
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.06936807735864145
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.2301940232503501
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.70860003044336
+CCOC(=O)OC(=O)OCC,0.2311446107369137
+C/C=C/Cl,0.6674089283937629
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.11091724408293901
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.47218565787417494
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.013150023672418751
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.946629953814084
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.11916971687904139
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.8592099209461622
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.1645997288771192
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.04123278740265904
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.4712074463852207
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.679970478554236
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.27834768486643824
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.36599631977490865
+CN(C1CCCCC1)C,0.119361536883835
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.21247310938857394
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.045116776669135064
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.7854907330236292
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.950992558402975
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9819587574762609
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.12029968697873625
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.924631363384386
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9363535836619763
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.5308294229507198
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.16112848101560975
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.945897201046327
+Clc1ccc(cc1)CC1OC1,0.6920124716418716
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11577404571608374
+Cn1c(N)nc2c1cc1ccccc1c2,0.951983670985381
+Nc1ccc(cc1)c1ccc(cc1)N,0.7687598838856391
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.7698795680322995
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.4284901704697324
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.010894738324235424
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7518706419959823
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.09933299062568168
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6077453333904766
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.4381480032569983
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.40327024010929396
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.37827732475073456
+CCCC(=O)O,0.04617421572154703
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.8841391444073395
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.0816052027728815
+Nc1nc2c([nH]1)cccc2,0.4953781132636023
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9006963440720035
+OC(=O)C(Cl)(Cl)C,0.19140424749053347
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9518038227888148
+N#C[Se]Cc1ccccc1,0.2453170430905
+C[N+]1(C)CCCCC1.[Cl-],0.005511436304882472
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9114038770977525
+CC(=O)C(=C)C,0.1997138479595222
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.8174930147183811
+c1ccc2c(n1)c1ncccc1cc2,0.7811352514656356
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.1590481868627118
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.679900900785576
+O=CN(N=O)C,0.9336932982564823
+NCCCCCCCCCCC(=O)O,0.08517696586795968
+CCCCBr,0.5274869228959258
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6411368916415113
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.2959811715327076
+Oc1ccc(cc1O)C(C)(C)C,0.14987687817244374
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.42349700530778533
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.8885949219449234
+COc1cc(OC)nc(n1)N,0.07591669616702612
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.07322948226301643
+OC(=O)c1cccc2c1nccc2,0.1300821727941698
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.9154943733392958
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.42349700530778533
+CCOC(=O)c1ccccc1C(=O)OCC,0.13841912889499047
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.3559581563592427
+Nc1ccc(c2c1cccc2)N,0.9128156166706021
+Fc1cnc2c(c1)ccc1c2cccc1,0.8061579465550665
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.11091724408293901
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.16112848101560975
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.0716945640994561
+ClCc1ccc(cc1)Cl,0.5741737899458434
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5362010352610583
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.7718520806717829
+CC(=C)OC(=O)C,0.11818761989466375
+Oc1ccc(cc1N)S(=O)(=O)O,0.3279029574533383
+OC1CCN(CC1)N=O,0.850029790552855
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.8376065945088811
+NCCCN(C)C,0.1970801650486629
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.8810765004657973
+CCCCN(N=O)CCCC,0.5798732459774302
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.7425832113990658
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.05268253794652739
+N[C@@H]1C[C@H]1c1ccccc1,0.26967850538749916
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.18162457773854107
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.8954220832461264
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.7478079570944123
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.13555780874622186
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.7589840459420867
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9117605456823069
+[N-]=[N+]=CC(=O)NCC(=O)N,0.9358500020417142
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.21421905746780032
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.22619621004821677
+CC1(C)C2CCC3(C1C2)CO3,0.24392325831540226
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.03460043152419068
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.09128078653341601
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.17114067988058265
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.23953534338648882
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.6077201957788907
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.7154101553936575
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6786643964392066
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.8559877223416201
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.8209647166052149
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.32584393796216726
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.2791333545474594
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.39631428372388994
+OC(=O)c1cnccc1C(F)(F)F,0.051613932500046124
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8479991074682895
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.4583865573247832
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.492217864121315
+Oc1ccc(c(c1)C)Cl,0.2129854564498162
+ClCc1c2ccccc2c(c2c1cccc2)C,0.9116830541115644
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.6462104540313837
+C=C[C@H]1CO1,0.877754263416217
+O=C=Nc1ccc(c(c1)N=C=O)C,0.872786207509081
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.29052157438779
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.22934528038820484
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9227769609625843
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.8691528319389449
+CCCCOCC(=O)O,0.15015307218618607
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.1901034557274452
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.619662628431618
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9905629264808055
+CCCCCCCCCCSCn1cc[n+](c1)C,0.23604989658063924
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.18520072277896227
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.7432392356230236
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.028829015659098404
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.08928799176374144
+Nc1cc(nn1C)C1CC1,0.7541384937701632
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.20817500631470953
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.6855334521463629
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.05344667821860295
+O=c1ccc2c(o1)c1ccoc1cc2,0.685219442838132
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.039001398680404774
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.22548137002127042
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.1735475099581496
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.17199873150123657
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.3516741618093651
+NC(=O)N(c1ccccc1)c1ccccc1,0.2982324724201471
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.8815573828961506
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8276308382195218
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.16257770090871496
+c1ccc2c(n1)cnnc2,0.7204394354061703
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.968914989177908
+Nc1nc(nc(n1)O)NC(C)(C)C,0.12023259992490795
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8770268983587992
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.017961995175964255
+Nc1ccc(cc1)F,0.33481626566199524
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.2932533016182644
+BrCc1ccccc1,0.49370140454164224
+Nc1cccc2c1nccc2,0.7301905403956589
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5016724296015793
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.377174320027525
+Cn1cccc1,0.6398762288902846
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.42329270384165796
+Cl/C=C(/C(Cl)Cl)\Cl,0.8219374639050485
+Fc1ccc2c(c1F)cccn2,0.36194793111329354
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.24147369956829087
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.05299458461988126
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.08440558930193642
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.07054087502520558
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.12050600596039204
+CCCCN=NC(OO)(C)C,0.8000180840599592
+CCOC(=O)N(C)C,0.6989620324407166
+CC1=CCC(CC1)C(O)(C)C,0.026433352749216
+CCOC(=O)[C@H](Br)C,0.588662883226188
+Fc1ccc2c(c1F)nccc2,0.30262809351323144
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.013229945132171008
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.6441068249292776
+CCNc1nc(NC(C)C)nc(n1)O,0.0472112627913942
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.023437226013058185
+Cc1ccccc1N.Cl,0.603945109235932
+NC(=O)CI,0.8929038453403012
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.48067631662136545
+CCCCOCCO,0.12634339802927252
+CCCCN(CCCO)N=O,0.7536825566922364
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.1026401483645937
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.4695730900407713
+Nc1sc2c(n1)cc(c(c2)C)C,0.6886389955856801
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.11676134707389851
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7610040625117129
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.588370897267121
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.8447867402341399
+CCO[P@@](=O)(N(C)C)C#N,0.13529010579621964
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9618171809543646
+Nc1cccc(c1)O,0.21942716167507736
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9633554234043236
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.14000935113712712
+CC(OP(=O)(F)C)C,0.05296367265127618
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.06014151870932145
+O=CN(c1ccccc1)O,0.8289410731096964
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.4266275619371201
+NC(C(=O)O)CSCCCl,0.774645704658854
+Oc1ccc2c(c1)OCO2,0.20070909050087632
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.12364421847915393
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9089664859066775
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09461949698367363
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.11064118492545126
+C[C@@H]1CC[C@H](CC1)C(C)C,0.020814834877773428
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.13730766132571748
+ClC[C@H]1CO1,0.9806720971810954
+C1CCc2c(C1)cccc2,0.13292014348249312
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8785763609234006
+Oc1ccc2c(n1)cccc2,0.1979766665654059
+CCc1ccccc1,0.12418666915873985
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.15822380305133266
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.24818102900598535
+Fc1cnc2c(c1)c1ncccc1cc2,0.6310049774251812
+Cc1cc(C)c2c(c1N)nsn2,0.8707804653288277
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.2840962169152785
+c1cc2cccc3c2c(c1)CC3,0.22296379664893837
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.07767038111682388
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.030225130314969737
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.7130770116304085
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.24770533709833686
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.10580603507876978
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.7898647108170864
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.73084289331962
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.49137404240187194
+ClC([C@H]1OC1)(Cl)Cl,0.9091063552781012
+ONc1cc(ccc1C)[N+](=O)[O-],0.9291316460299607
+CC(=C)C1CCC2(C(C1)O2)C,0.07776559705388762
+OCCN=N#N,0.926166367807236
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9104162760363446
+COC(=O)CC(=O)C,0.13477219493177142
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6721410984493084
+NNS(=O)(=O)c1ccc(cc1)C,0.7163576460365254
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.9171823255501989
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.928594068495991
+CCOC(=O)C=C,0.2846804445366011
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.506755435830931
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8788161302820511
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.07094877969468615
+[O-][n+]1ncc2c(c1)cccc2,0.26005186197842084
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.8569312583962011
+ClCC(CBr)(Br)C,0.6942161103529492
+CCCCCNc1snc2c1cccc2,0.4744442750454048
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.25475881703054243
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8512132248435338
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.8060561779701029
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8369520030538762
+CC/C=C/C=C/C=C/C=C/C=O,0.6530648677254617
+Clc1cccc2c1nccc2,0.31633419118272266
+CCCCCCCCCc1ccc(cc1)O,0.04577353041937714
+Cc1ccccc1O,0.20574272118026707
+CNc1nc(C)c(c(n1)O)C,0.03567787954373731
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.9565687242821441
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.10735003275030969
+O=Nc1c(O)ccc2c1cccc2,0.8401943214269848
+Oc1ccc(c(c1)Cl)Cl,0.14685447420627454
+CNC(=O)Nc1ccc(cc1)Br,0.2130856630285745
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9845042308920892
+O=c1c2cccc3c2c2c1cccc2cc3,0.5917465427727409
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6014033460198861
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.04319247090715246
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9624309090627473
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.5210546594027065
+Oc1cc(O)cc(c1)O.O.O,0.21288640299697079
+NC(=S)Nc1ccccc1,0.7210367140304795
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8069938627879414
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.15149143010327001
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.2019943886929662
+O=C(n1cncc1)n1cncc1,0.44105148148315904
+O=NN(Cc1ccc(cc1)C)C,0.8018747225328705
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.059938860151598355
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.19665567732178676
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.5638155397717145
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.7430363766830604
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.5280400597452936
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.8548759574725252
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.13094728449165138
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.7552956978655971
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.9032634526610605
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.09384748826407693
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.976445106943695
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8785763609234006
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.05408963455762798
+Nc1cccc2c1cccc2,0.8016034494480158
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9738453119994886
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.19150228375579978
+CNCCCN1c2ccccc2CCc2c1cccc2,0.5363314399468069
+[O-][N+](=O)NC(=N)NC,0.4351346774435363
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.03493425607222926
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.5170628217653082
+O=NN(Cc1ccc(cc1)Br)C,0.8877102758190837
+ClCCNC(=O)N(CCCl)N=O,0.992238948044681
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.023083810195478872
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.20120378163339783
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.5863092454172115
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.05196767369797268
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8827554489979434
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.2414739071345073
+[O-][N+](=O)CCC(=O)O,0.41720860305459756
+NN1C(=O)c2c(C1=O)cccc2,0.6368792134096338
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.780582340517728
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.6552744166784493
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.5701163305247419
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.42394792428801814
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.6198455379749642
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.7206099289176219
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8690764131296538
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.832633334499232
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.04910900631912667
+ONS(=O)(=O)c1cccc2c1nccc2,0.33019823699416134
+O=NN(C(=O)N)C[Si](C)(C)C,0.629178345981281
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.9593467469443704
+Cc1cc2ncccc2c2c1n(C)cn2,0.8903650750675305
+C=C1CC(=O)O1,0.1280356305144243
+Cc1ccc(cc1)C(O)(C)C,0.06659753777729782
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7879384628285142
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.5631596324235687
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9425240582153238
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9644953922345325
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.6566112126730859
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9449598710811495
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.3948454569484782
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.8463917168143166
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3543809448829376
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.49273298214535205
+O=Nc1[nH]cnc1c1ccccc1,0.5989604226774997
+O=Nc1ccc(cc1)Nc1ccccc1,0.8705306943243979
+COc1ccc2c(c1)oc(=O)cc2CBr,0.6864912949423823
+OCN=N,0.5536518318296251
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.4160143260596526
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.07103831749287891
+c1ccc(nc1)c1ccccn1,0.1760477729303164
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.8626578668529663
+Clc1nncc2c1cccc2,0.5341027525150932
+NCCNc1cccc2c1cccc2,0.8987493289457258
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.9140180825674292
+OC(=O)c1ccc(c2c1snn2)O,0.5699149485283168
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.789143107802747
+COS(=O)(=O)OC,0.49694638987803064
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9003825871725475
+C[C@H](COC[C@H](O)C)O,0.09288858484439146
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.11399282144528043
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.30418941121697574
+[O-][N+](=O)[CH-]CCCC,0.5750821725103248
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.5691303183230816
+CNC(=O)Nc1ccccc1,0.11343030753825353
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.6972342229323107
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.03270123241849606
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3461960717567811
+NC(=O)[C@H]1CO1,0.8898190777833246
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.2600158684643792
+CCCCCCCCCC,0.05637069969780264
+OC(=O)CI,0.5152667225087008
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.9049971290868616
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.3708793080232613
+CC1CS1,0.90787522131762
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8806623092805086
+BrCC(=O)Nc1ccccc1,0.6317463153931917
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.83024032114329
+OO[C@@H]1CCCc2c1cccc2,0.5878125464933922
+Oc1nc(Cl)nc(n1)Cl,0.1115796873226481
+N#CCCCCC#N,0.17323680542317976
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.44520462622625195
+CCOc1cccc(c1)N,0.38559989906879094
+SCc1ccccc1,0.27838228134159265
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.10453709140936465
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9298653551027509
+CCCCCCCCCCCCO,0.08783765519451665
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.09475714071600806
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.22137792949628057
+OC(=O)C1OC1C(=O)O,0.6876464238840809
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.7837060659930019
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7733550751557343
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.0740277900640719
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.23947437533467678
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.35345887613200666
+CCOc1cccc(c1)[N+](=O)[O-],0.7695602906998468
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.1265723106687623
+COC(=O)C(Cl)C,0.7691846626355443
+COC(=O)c1ccc(cc1)O,0.20026168803269068
+CC(Nc1nc(O)nc(n1)O)(C)C,0.0539592707243175
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.8430613088031113
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.979160006301187
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.3963032122256715
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.8354812819279043
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.02680282930713744
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.1386018577556484
+CCOC(C)(C)C,0.05651417446155014
+ONc1ccc(cc1)C(=O)C,0.7394566563941792
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.17435055365390154
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9549509091316184
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.034083519653681074
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6662143887737387
+CCCCCCCCCCCC(=O)NCCO,0.2639126963128529
+Cc1cccnc1,0.26395946952203675
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.15071946759722954
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.9137902287178702
+Cc1ccc(cc1)O,0.14929891875991
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.21844733592663665
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8013003201898365
+CCOCC,0.11810082534712228
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9411015719147168
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.0430758020534811
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.12077117958001271
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7107557476297705
+c1ccc(cc1)Oc1ccccc1,0.13798361718896457
+ClCC(CCl)Cl,0.4972016155650708
+CC1CCc2c(C1)occ2C,0.037606555761309
+CC(=O)CCC(=O)C,0.10574013043927609
+c1ccccc1,0.16324282565596807
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8902773841550233
+Nc1ccc(c(c1)O)C,0.3792318007127461
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.8588526589703838
+NC(=O)N=NC(=O)N,0.7328747042907346
+COc1nncc2c1ccnc2,0.6618515835982361
+CCCOC(=O)c1ccc(cc1)O,0.12786016026381877
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.08824164646628459
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.0854094247279188
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.04906565270245752
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.9015048588411051
+NNc1nncc2c1cncc2,0.8815255326487849
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.4515249358627045
+O=C1C=CC(=NC(=O)C)C=C1,0.6315632182837337
+O=C(c1ccccc1)C(=O)C,0.317471761588982
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.8435836057696712
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.779096108876073
+CCOC(=O)C(C(=O)C)Cl,0.603713779316454
+CCOC(=O)C(=C)C#N,0.33298299827043737
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.5226728495198031
+C1OCCO1,0.044105839095497396
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.3658316475237685
+CCN=[N+](CC)[O-],0.5889245811196218
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.21640219025522078
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.15457842026324028
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.42624424453803766
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5822484810632592
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2834347541497053
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.24384868331589865
+NCCO,0.12892006160708008
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.35543919717206857
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.6778125678405715
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.04159213023889192
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.30412478196061987
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.8879958590267599
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.40899340319474475
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.28081144301331956
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5520943663343385
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.2975264042843126
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.03679810234735283
+OCC(CBr)(CBr)CO,0.6425421180324956
+CCCC[C@H](C=O)CC,0.09612022041567476
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.5878348585886847
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.24540355134949657
+Cc1cccc(c1)C(=O)Cl,0.4172289713196972
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.7896595090482156
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.30825336467799325
+CC([N+](=O)[O-])(Cl)Cl,0.9041333481853406
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9634090620796286
+O=NN(CC(=O)C)CC(=O)C,0.7345149337893764
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.8136838502891094
+NNc1ccccc1.Cl,0.896556827538093
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.03212675753638427
+Cc1cc(C)nc(n1)N,0.14568984371034316
+COC[C@H]1CO1,0.8717177613016397
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.4776252125323464
+ClCCCN(C)C,0.5969067856022149
+COc1cc(N)ccc1C,0.4976587617701164
+CCC/C=N\O,0.43801325316992124
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.6732222397305163
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.11486963162387571
+O=CC1=CCC(CC1)C(=C)C,0.14360901204240661
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.965173794401534
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9286058023827021
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.7012387699297588
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.884041118769763
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.14011730770315983
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.29788229193547544
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6206149252420783
+CN(N=Nc1ccc(cc1)Cl)C,0.698554440169231
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.4073070819103723
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.00785677422993594
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.942237409222826
+O1CCOCCOc2c(OCCOCC1)cccc2,0.4974113420706132
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.1593394993940839
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.1115243264991644
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.7490060422915538
+O=NN1CCC[C@@H](C1)Cl,0.9616603770364809
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.46888736832344347
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.39263147914406205
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.3716602483434136
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8069681019615763
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.6071517998300879
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.06047097525709804
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.7382169088189743
+Nc1cnc2c(c1C)nc1n2cccc1C,0.8303491607068363
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.046291856632195885
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8531973396612111
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.5615349691809639
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9858609855535779
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.11834049381135012
+O=Cc1c2ccccc2cc2c1cccc2,0.8290708387430334
+C[C@H](c1ccccc1)O,0.13620955780442015
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.760999203125259
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9674006433148757
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.14700681288844764
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.6755056271545343
+Cc1ccc(cc1)OC[C@@H]1OC1,0.905605224817572
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.03031490417811387
+COc1cccc(c1O)C=O,0.4694538246627845
+Nc1ccccc1.Cl,0.39447335261532956
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.3628397752176749
+O=CC=C(Cl)Cl,0.7128091767347293
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9493051805497255
+OC/C=C(\CCC=C(C)C)/C,0.13330477394113804
+CC(=O)OC(=O)C,0.18612039261536795
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.6186987174094755
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.0745042932155656
+COS(=O)(=O)C,0.1461433681367449
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.06313482232497956
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1613810154438454
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8127953922245481
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.08083303579935218
+N[C@@H](C(=O)O)CS,0.088742192497568
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.586835238424665
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.4999976417477695
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.18322257655856738
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.5808237945448945
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.3150804944839937
+O=Cc1ccco1,0.5132784209454553
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.1696926072436596
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.6209430908481108
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.42181554490769746
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.10700205436628556
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8840637467319742
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.17064817704526541
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9824085353679083
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.36664483391586594
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.055235302540123016
+CC(c1ccccc1)N(C)C,0.20677648679538754
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.651556309977932
+COc1ccc(cc1)O,0.18562503805222347
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.18848802233328676
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.0890220427338772
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.056031881677947065
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9476806278393549
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.19946895660084638
+[O-][N+](=O)c1cccc2c1cccc2,0.8599373261539263
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.19594572456145026
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.20537314563619077
+CNC[C@H](c1cccc(c1)O)O,0.1926296309057129
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8667189242911425
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.8640447368269005
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9572406917314102
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9131476218593964
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8832998130542074
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9149295564466984
+[O-][N+](=O)c1ccccc1C(=O)C,0.8172905116754575
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.35757087330832676
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.06273731824213599
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.3211172367750739
+Fc1c[nH]c(=O)[nH]c1=O,0.11463242178938672
+OCC[C@H](CCC=C(C)C)C,0.0788678465403738
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.2169889793313261
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.8678902861208725
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8617001484552805
+[O-][n+]1cccc2c1c(O)ccc2,0.5109615311916521
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.17021881063004746
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.9138127342658244
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9117426334633455
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.5637847878628585
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9111681556749356
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9059988168532096
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.11286023483098502
+CC(=O)ON(c1ccccc1C)C(=O)C,0.5537169860279294
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9576919753891531
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5350576738403939
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9390470172671577
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.8592941565832743
+Nc1cccc2c1nc1ccccc1n2,0.8993254062070698
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.43031204513260723
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.5849746781419201
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8791797423150803
+ClCc1ccccn1,0.5147638304536182
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.098936754192874
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7562271886435208
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8348605591131304
+CCCCN(CCCC)N,0.5069077323188332
+CCC(Nc1snc2c1cccc2)C,0.43187546275392863
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.22532681376170768
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.12365365522377478
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.028380869958751765
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.7575099548064507
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.2414739071345073
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9511552038751063
+Nc1c2ccccc2cc2c1cccc2,0.8983088129906683
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.26697061159572344
+C=CCc1ccc(c(c1)OC)O,0.1833762619375199
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.5489599973214102
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.866109967067217
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.39043404755410355
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.8907398624376971
+Clc1ccccc1S(=O)(=O)N,0.15432598239341472
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.974484391258512
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.9161192862796702
+O=Nc1ccccc1c1ccccc1,0.5868255900519209
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.7606616360636248
+COC(=O)c1ccccc1O,0.16106396645846022
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.4672014351305058
+CNC(=O)Oc1cccc2c1cccc2,0.4388029915858982
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.8423893893091688
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.05196767369797268
+Oc1ccc2c(c1)cccc2,0.3904951015487904
+ON1C(C)(C)CCCC1(C)C,0.06603610483248504
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7727375046205033
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.1971403001730261
+Nc1ccc2c(c1)scn2,0.7680254564717729
+ONc1ccc(cc1)N=O,0.9032254171600906
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.29898754397893185
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8215064755719331
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.47192985916618396
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9806875082688066
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2795106964492843
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.6721994147383854
+BrCc1ccc(cc1)[N+](=O)[O-],0.8762062355613263
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.879443514625591
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6723264488822233
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.611717047943683
+ClCCN(CCCl)CCCl,0.8444648766487134
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6992841572132847
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.3963032122256715
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.9348717699788657
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.7761218085691073
+CCCCC#N,0.08174474842097704
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.24873611636015994
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.687285483735388
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.2952808281077724
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9734110559346171
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9819922024813609
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9683033761386522
+CCCC[C@H](CO)CC,0.030156232407567415
+CC(=CCC1CCCC1=O)C,0.07614608597058588
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8772547097042813
+ONc1c(C)cccc1C,0.7282516288799494
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.06046367319441657
+COC(=O)c1ccco1,0.2738498343597769
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.5967229822070362
+OCC12OOC2(C)c2c(O1)cccc2,0.45100782978950626
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.30152471554113136
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.017954213286804844
+O1CCOCCOCCOCC1,0.11936905363606633
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.0495649005275014
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.7584862181383529
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.3029448362396512
+OC1=CC(=O)C1=O.[Na+],0.7908165191373059
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.8437550102447002
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.047508075800766866
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.7556970147625686
+O=c1ccc(c[nH]1)C(F)(F)F,0.13810874286436806
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8737610185242637
+C[C@H](COC(C)(C)C)O,0.06736097674199176
+CC(CCOC(=O)CC(C)C)C,0.11929116683309005
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.07426468446024359
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.24564556561057097
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.8145939552834905
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9291736307652387
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.06999586686124945
+Sc1nc2c([nH]1)cccc2,0.45002336019353667
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.6469473544330224
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9753317129266192
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.387199840517433
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.10018404273485262
+COC(=O)CCCCC(=O)OC,0.172636567820846
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.27770850162268035
+CONC(=O)Nc1ccc(cc1)Br,0.41150794523609263
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.9060409597119794
+Nc1cnc2c(c1)cccc2,0.6959822435608064
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8415206268872445
+ClCCN(P(=O)(O)N)CCCl,0.8010608273084516
+ClCCN[P@]1(=O)OCCCN1CCCl,0.8336467113547439
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7311584721522402
+ClCc1cccc(c1)[N+](=O)[O-],0.8347317748767931
+C[C@H](C(=O)Nc1ccccc1)Br,0.6194167772883035
+NC(=O)Nc1ccc(cc1)Br,0.3629220110972971
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.5078351651798274
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8591707879589708
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.3415273498508958
+ClCC1=C(Cl)C(=O)OC1,0.829635974221392
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8100041585549184
+CCc1ccc(cc1)C,0.08590995415565954
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.17655208322274532
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.27661694309223095
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9146414508115135
+Nc1cc2cccc3c2c2c1cccc2cc3,0.9588049150490915
+O1CC1Oc1ccccc1,0.7435203918668257
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.13304771820116923
+Clc1ccc(cc1)CNC1CCCC1,0.12564301543964243
+O=Cc1ccc2-c1cocc2COC(=O)C,0.4514500701356864
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.05654875756399214
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9717431430819861
+S=c1ssc(c1C)c1cnccn1,0.13656624567098055
+CCC(=O)C(=O)C,0.2331028507254034
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.8565213690021253
+Oc1ccc(cc1)Cl,0.15679984432263297
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.485017100817091
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.4707123409635501
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.16247001358761493
+Oc1ccccc1c1nc2c(o1)cccc2,0.09974270654914165
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.007876499706329467
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9533727730175958
+COc1cc(F)ccc1[N+](=O)[O-],0.6076620563402354
+CCCCOCCCC,0.05814950440492349
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9018291227762603
+OC(=O)CC(=O)O,0.04635050483048268
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.022870269103808835
+Cc1ccc(o1)C,0.0769123463671369
+CCCCCCC=C,0.09069273564754736
+FC(C(F)(F)F)Cl,0.029035444836521554
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.08458076898540641
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.4292612567245339
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9401112997248744
+COc1ccc(ccc1=O)[N+](=O)[O-],0.7993602941799357
+c1ccc2c(c1)oc1c2cccc1,0.7021975385702808
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.027505360492116323
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.8330296787669974
+OCCOc1ccccc1,0.31603805192233475
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.5480657268644173
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.11453965799416366
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.2608063688525954
+S=C1SSC2=NCCN12,0.6092298528349497
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.917169073814999
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9412931666975498
+Nc1ccc2c(c1)oc1c2cccc1,0.8880401692123998
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.12173116530088846
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.2629235182230639
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8824465975497918
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9849746049960726
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9854780011932334
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.7279008258364974
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.5893039612865398
+CNCCS(=O)(=O)O,0.3334061018570628
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.4714446476884757
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.00525988236945042
+N#N=NCc1ccccc1,0.9285432129605866
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.8862211610811264
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9333702456032573
+OC(=O)C(CC(=O)O)CC(=O)O,0.0799565452988766
+CCn1c2ccc(cc2c2c1cccc2)N,0.9744449670794408
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.3134861521305707
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.7056996710349043
+O=Cc1ccccc1[N+](=O)[O-],0.8647536343094476
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.5731382662162312
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.2629235182230639
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.12552290944450872
+NC(=N)S(=O)O,0.29729700148514293
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.06488729704566035
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.13171586529534918
+NC(=O)C[C@H]1CO1,0.8062694409008566
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.18735073086394832
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.23698735270580912
+Clc1cccc(c1)C(=O)Cl,0.21972563335128592
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.9326417000222691
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.14680976082377165
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.6497436644682454
+CC(OC[C@@H]1OC1)(C)C,0.7456159028353332
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.8420457910089911
+NCCNCCNCCNCCN,0.8264736856811369
+N#CSCSC#N,0.3204718669086897
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.07054087502520558
+CCNc1cccc(c1)O,0.22790938679646844
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.10046369644898538
+O=NN(c1ccccn1)C,0.6255346867703605
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.4699582144047521
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.1270737213516732
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.720978586646492
+OCCBr,0.9232768175933944
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9912267679108258
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.1364007313091255
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.30526885395196585
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7516852256236216
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.19055781413437306
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.39959453517245247
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.34501631331667804
+Nc1cccc2c1-c1ccccc1C2,0.701306218303623
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.6554256715503262
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.18902741416355887
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.09391051029071378
+N=C(Nc1ccccc1)Nc1ccccc1,0.12433338554271521
+[O-][N+](=O)c1ccccc1Cl,0.44941022813520887
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.16017863448099887
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.8911765076673265
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.719409002732579
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.20615901399673053
+O=C1C=C(O)C(=O)c2c1cccc2,0.5184002773094191
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8169778505841846
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.8445913980241533
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.19527994410530797
+CCCCN(C[C@@H](CC)O)N=O,0.6898373152347033
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.02606140629572426
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.6110481151801379
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.6374412877106379
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8937114654981533
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.2956670046350599
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.968465571443488
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.03096011147250112
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.8469101986086387
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.2094855916259536
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.13403521902758272
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.2401104530693772
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.10972705921618489
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.7787212304468177
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.8686789062803197
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.6091224861858284
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.3139378703861242
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.7566499741649214
+OCCC#N,0.11607007588990059
+CCOc1ccc(cc1)NO,0.7737280046664265
+S=P(N1CC1)(N1CC1)N1CC1,0.9689539224258696
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.41795047914289307
+Nc1ccc(cc1)Cl.Cl,0.6182245041262742
+N#CC(O)(C)C,0.11965652807070792
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9119709524399601
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.884798501350404
+BrCC1=C(Br)C(=O)OC1O,0.864558209183483
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8291514287812407
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.715233769865599
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9686933502612034
+O=C(C(F)(F)F)C(F)(F)F,0.034250197625307656
+OCC(CBr)(Br)C,0.6034530322227818
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.8446899141435754
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.030291898009488328
+CC(=O)/C=C/c1ccco1,0.1833622752657655
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.5818797819039978
+Cc1cc(C)cc(c1)N,0.33227992338985035
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.5578629236946855
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.05085272568450487
+CC(c1ccccc1)CCN=N#N,0.7380186472005668
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9806667309008996
+C1CCSCS1,0.10056473173969774
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7362788595023052
+COc1ccc2c(c1)C1CCCCC1C=C2,0.6804220570753213
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.07470417130965747
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.650798749186488
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7590809386542907
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.41886189465604395
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.8606662660013187
+CCC12OC2O1,0.9352412824083143
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.08091846229313618
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.7809963874435554
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.09542408088165466
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.877803663491303
+ClC(=O)c1ccccc1C,0.2374695794229307
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.8461386347234968
+NC(=O)N,0.31409367273605054
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.023759683596481
+COc1ccc(cc1)C1OC1C,0.7939383451319032
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.042883764926072716
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9258154365418548
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.6413357774094984
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5484618214648674
+CSc1ccc(cc1)Cl,0.18677372890855415
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.8350471257045132
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.7914290543324586
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9622565641926182
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.1445057698097182
+N[C@H](C(=O)O)CSCCCl,0.774645704658854
+Clc1ccc2c(n1)cccc2,0.505304415609451
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9398085834598756
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8109550619774337
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.05996092396916376
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.7839316114626815
+CCSCCOP(=S)(OCC)OCC,0.31181667545725184
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.18025650662842246
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.6837087664896131
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.37865137678817445
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.71855282704738
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.6051533446823546
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.015839217423177742
+Nc1ccc(cc1)c1ccccc1C,0.8032901781853049
+COc1ccc(cc1C(C)(C)C)O,0.10078445253183518
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.014866372179920128
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.21250324490253153
+Oc1[nH]nc2c1cccc2,0.1267600079887172
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.39876223677191763
+O=Cc1cccc(c1)c1ccccc1,0.559409562293022
+O1C2C1C1N=NC2C2C1O2,0.8687423006121847
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.07221561555680249
+FC(C(Cl)(Cl)F)(Cl)Cl,0.013349877293272083
+BrCC(Br)(Br)Br,0.5391074103083687
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.6937549396208837
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8673085761671604
+NC(=O)N/N=C/C(=O)O,0.7153175946146093
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.4550773332040926
+[O-][N+](=O)c1ccccc1Br,0.3104310311186382
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.256543071117275
+CCN(C(=O)N(C)C)N=O,0.921536415370861
+CC[N+](=NC)[O-],0.6886447953464153
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1439652733893445
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.160934872715786
+OC(C(Cl)(Cl)Cl)O,0.4773300702573313
+OC[C@@H](CI)O,0.7683750391513529
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9423183720506915
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.8917589802954937
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.2908468667532489
+CNP(=S)(N1CC1)N1CC1,0.9651726988749589
+CC(N(C(C)C)N)C,0.7311415591682654
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.14555182213724382
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.7166560821821086
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9111704412128458
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8551576038715116
+O=C/C=C(\CCC=C(C)C)/C,0.30803362519808614
+CC(=O)Nc1ccc(cc1)C,0.22456733557116318
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.38182893003784263
+Nc1ccccc1N,0.7065302459924351
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.025969758596003853
+OCCN1CC1,0.7085732097523685
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.14624696855274782
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.8262610657935947
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9062833573447739
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.5859695437010487
+[O-][n+]1ncc2c(c1)cccn2,0.5405214151987272
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.5168721323045985
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5756972078372035
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.6257470581096138
+c1cnc2c(c1)C1OC1CC2,0.3883843128905837
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.028977405444582435
+CC(=O)CC(O)(C)C,0.054897249404216454
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.8832697607156165
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.984856161575051
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.808954655452473
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.32096717088871746
+CC[Si](CC)(Cl)Cl,0.19157906949111342
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6241475598506544
+Nc1ccc(cc1)S(=O)(=O)O,0.20973424196074208
+[N-]=[N+]=NCCC(C(=O)O)N,0.8466533444175548
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5255463950386857
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.9035100800831051
+C1CCC2C(C1)c1ccccc1C1C2O1,0.5122569577689312
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.05748541902319381
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.8873716914660582
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.6799341315332552
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.32237121889483433
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.010786174202124217
+CNS(=O)(=O)c1ccc(cc1)N,0.4178296215277321
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8878430023485534
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.12036032181616203
+CN(N=O)CCCC,0.9014231355217596
+O=C1C=Cc2c3c1cccc3ccc2,0.5903983819763362
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.8103060682346035
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.10264859460174042
+CC(=O)OCCOCCOCCOC(=O)C,0.5394946998678608
+Oc1ncnc(c1)O,0.1474139228346494
+CCCOS(=O)(=O)C,0.3093658713140454
+OCCCCl,0.7322823064109983
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.30618096723665594
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.07516478843804146
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.8903955717564506
+OCc1ccc(cc1)O,0.2938259489412531
+CCOc1ccc(cc1)N,0.6348822037742022
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.6358480623807891
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.7842861503100228
+ClCCOCCCl,0.8611746526474288
+c1ccc2c(n1)c1[nH]ccc1cc2,0.8083301789429239
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.8908539244434946
+CC(=O)c1ccncc1,0.2724475812617279
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.03768716312966211
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8616978580777003
+CC(NC(C)C)C,0.10350333415198457
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8075320802773929
+O=C1CCCCC1,0.06315947780946998
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.07537051790491522
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.5539407048976691
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.4293161658773221
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9564369677031314
+OCc1ccc(cc1N)[N+](=O)[O-],0.9181536785184139
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.06224677279681939
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7219433626300258
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.16069391549267129
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.05585609102370615
+CCSC(=O)N1CCCCCC1,0.36875058559009305
+CCOP(=S)(OCC(C)C)SCCl,0.7327492912129622
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8013998870891833
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.6195013425777565
+COc1cc(Cl)nnc1c1ccccc1,0.2943930361624595
+ClC(C(=O)C)Cl,0.8767279995210268
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.07250600443615736
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.09267399978138859
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9661856438541383
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.3358603959072412
+OC1CCCCC1,0.03194217076469448
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9428064581440957
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.7645655430263777
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.2482474963967451
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.728510727750781
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.6629888851525693
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8921645902263731
+N#N=NC(c1ccccc1)c1ccccc1,0.863549627297641
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.7133821162676041
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8767339722253508
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.06388047736295724
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9656536540878956
+O=C(c1ccccc1O)OCc1ccccc1,0.12721636670747435
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.709015605263712
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9206080469914697
+Cc1cccc(c1)Br,0.10397645913439395
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7474606489497934
+O=S1(=O)CCCC1,0.27549574771598756
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.877732722239121
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9563259217935077
+OC(=O)c1ccc(c(c1)Cl)Cl,0.10346888725376996
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.6622828756064644
+OCCO,0.1523007273824336
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9738037086714758
+NCC(=O)Nc1ccccc1,0.4044264285050888
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.14352320739937233
+Nc1cccc(c1)N,0.4585468781440287
+CCOCCOC(=O)C,0.565445243177209
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.7657786195149865
+OCC(CO)(C)C,0.028972753749682965
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.4106678701651008
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.347181755499903
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.20117990088144427
+NC(C(=O)O)CN=N#N,0.9351160050915716
+Cc1cnccn1,0.2622145644617605
+Cc1ccc2c(-c3ccccc3C2C)c1,0.6389060301576958
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.8627134379702006
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.14921443524582992
+COc1ccc(cc1)C=C,0.2922416350132852
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.3666056278387735
+[O-][N+](=O)CC,0.729368069018348
+CNC(=O)ON=C(SC)C,0.6411657427091894
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.2843771944994797
+CCOC(=O)[C@@H](C(=O)C)Cl,0.5487288168954385
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9669453497400364
+c1ccc2c(c1)cc1c(c2)cccc1,0.9035712534069874
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9920161478942885
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.8853493950673789
+BrC(C(Br)Br)Br,0.6842467255912389
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.3798041121124397
+OC(=O)c1ccco1,0.405494374954147
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9896594056429059
+CC(S(=O)(=O)Cl)C,0.8176858737406673
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.2711262972391184
+COC(=O)C12OC2(C)C(OC1=O)C,0.5365872785104305
+O[C@@H]1OC(=O)C(=C1C)Cl,0.5129659502289436
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.7641118802792084
+COc1cc(ccc1O)C(=O)C,0.22827315516913455
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.1808979412400454
+CO[C@@H]1OC1(C)C,0.840303879873139
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.20628005194634222
+OC(=O)c1cc(O)c(c(c1)O)O,0.16260336322242752
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.35641622613468804
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.1387211034958527
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.1655271489222678
+CN(/N=N/c1ccc(cc1)Br)C,0.4596967862404626
+O1C=CC2C(C=C1)O2,0.5140935515169803
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.21604166812144557
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.5048246073734786
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9370950154645702
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.035736825857868866
+O=C1C=C(C)C(=O)c2c1cccc2,0.7411904094668716
+O=Cc1cccc2c1nccc2,0.5148794752445043
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.5458290869795432
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.9121612592494182
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.2836394379409768
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.6873683054962269
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.6840181036056121
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.5168768807732281
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.1279303915364093
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9472688098219272
+COc1ccc(c(c1)C)N,0.5697170596844052
+Cc1nnc(c(=O)n1N)c1ccccc1,0.7341896146764739
+OC1OC(=O)C(=C1Cl)Cl,0.7594044253537113
+NC1CCCC(C1)N,0.15434550838651104
+C/C=C(\C=O)/Cl,0.6796549903851908
+COc1ccc(cc1N)N,0.6180496908183949
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.7703454244579793
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.48129970528433613
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.978560603383964
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.04339296723636072
+OCC#C,0.018893354117750862
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8681133251353675
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8211401754285862
+CCCCCCCCSCN1C=CN(C1)C,0.6203966166093007
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7282760229213424
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.09364088597628042
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.39506046398068095
+NC(C(=O)O)C(C)C,0.08988499169245023
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.85001746220321
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.5943645720625752
+OC(=O)CCC(=O)O.[Na+],0.04278197174576058
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.7326998041900211
+C1=C[C@@H]2[C@H](C=C1)O2,0.6426293219393504
+COC(=O)C(=C)Cl,0.4306941896647983
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.09035097724525609
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.6443128142108537
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.21382223916866433
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.5495717836539536
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.2032864717104656
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.6479395241121365
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7415837008860645
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.628200464537688
+CCN(c1ccc(cc1)[N+]#N)CC,0.8795087166486321
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.4872719836805865
+CCN(C(=O)N)N=O,0.7230115605965927
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.5491274433720701
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.07489041176609192
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.02344744442908466
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9064666385681366
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.6696684972267004
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.27405701427382706
+O=Cc1ccc(cc1)N,0.6296162327744298
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.19619157096711795
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.009223952701030855
+ClCc1ccc(cc1)CCl,0.5304647732577242
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5522135914440381
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.37024359668477297
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8270212104527811
+Oc1ccc2c(c1)cccc2O,0.5019440177532967
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5270572147520947
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.426969536754027
+Oc1cccc2c1nccc2,0.29261590339172655
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.6416024924492103
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.405679435070759
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8657925368026951
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.6683285736083556
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8944420265094425
+OCCOCCO,0.24891553489439133
+O=NN(c1ccccc1)O,0.7832775179914702
+Cc1ccc(cc1NCC)O,0.28853583998676424
+Nc1scc(n1)c1ccccc1,0.7513547501510663
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9845994185285963
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.20394055021299817
+OCCCNP(=O)(N(CCCl)CCCl)O,0.6028578382144422
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.23114147961937295
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.3923814329849778
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.5683427097657803
+O=CC1=CCCC2(C1(C=O)C2)C,0.8301519731317608
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.08887828942422704
+FC(c1ccc(cc1)Cl)(F)F,0.12024372087196235
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.15925531322435846
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.731133651879242
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.25248097922494583
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.0865658691703356
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.1187111898882101
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.06373043331236711
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.49842030239222024
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6840413897979805
+Cc1cc(C)nc(n1)Nc1ccccc1,0.1614125201424054
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.1289598300716829
+Cc1cccs1,0.18511558923456725
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.24843109377342068
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.8489303779219853
+C[C@H]1CCOS(=O)(=O)O1,0.5803472349336091
+CCCCOC(=O)c1ccc(cc1)N,0.19716239497925755
+Clc1cccnc1,0.3467941041401698
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6811059309431503
+O=NN1CCC(=O)NC1=O,0.7229709509428762
+Nc1ccccc1c1ccccc1,0.6428839788976309
+O=C1C=CC(=N#N)C=C1,0.8877206446504771
+COP(=O)OC,0.36487005486905655
+OCC12OOC2(CO)Oc2c1cccc2,0.3906378554143411
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9446091135785366
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.656195497898917
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.0748698017640023
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.3917043223200722
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.7935982338824125
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.8388095418629233
+COC1=CC=CC=CC1,0.2585370766840112
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9847164212045426
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.14733220926632884
+CN(P(=O)(N(C)C)N(C)C)C,0.08623553004174954
+O=NN(C(=O)c1c(NC)ncn1C)C,0.6961631770171179
+FC(C(F)(F)F)F,0.0917612300040898
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.1410151177555185
+c1ccc2c(c1)ccc1c2cccn1,0.8640714027587693
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9571280990883418
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.8587524194436325
+[O-][N+](=O)C1CCCC1,0.6942581731960163
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9761177290801297
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.4710534744636757
+Cc1ccc(c2c1ccc1c2cccc1)C,0.8138538923355944
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9519660098305305
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7500631838475059
+O=CN(c1cccc(c1)Cl)O,0.755463011772426
+CC(NC(=O)Nc1ccccc1)C,0.06510215428998521
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.9492199958639865
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.24695263227670106
+ClCC(=O)CCl,0.8317265647221054
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3344633924199325
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.22639658430588014
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.8433502270081944
+[O-][N+](=O)/C=C/c1ccccc1,0.7514394685653559
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.8974760740518559
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.32845073930622676
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.0827513530323883
+CCc1cccc(c1NC(=O)C)CC,0.10443582325690255
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.1665655048123997
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.05023815531497753
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.23489048902337986
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5073341280183724
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.06238020741487704
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.8213711789579117
+Clc1ccc(c(c1)Cl)C(=O)O,0.0631462657506074
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.7722476242170283
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1564250261081822
+COc1ccc(cc1)C(C=C)O,0.18168893005196057
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.0500039107591645
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9718788018182396
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.01858033496354341
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8005150100684874
+CN1C=CN(C1/C=N/O)CCOCC#C,0.32963659550525065
+CCc1ccc(cc1)[N+](=O)[O-],0.7069952242441534
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.22191780045196696
+Nc1cccc(c1)S(=O)(=O)O,0.22966978534784974
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.7874896066232263
+CCCCO,0.029449712398263956
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.059909840020128245
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.06822127698244007
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.3064222179135274
+CC12OC1C1CCCCC1c1c2cccc1,0.43322132624610366
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.4974788807976907
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.028564143616273924
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9561711535750367
+Oc1ccccc1c1ccccc1,0.1726299608282859
+COc1ccc(c(c1)C(C)(C)C)O,0.044256039108102295
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9672468751286354
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.94825252556486
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9417218804173126
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.3567027831174145
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8463185562105568
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.02385172878736
+Nc1ccc(cc1)Br,0.44628634480895346
+CCCO,0.052011236598424215
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.1623780080193239
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.1922746053291092
+O=Cc1ccc(cc1)Cl,0.4293687017397349
+CC(=O)C,0.05532925448235385
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.898241872472236
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8938291874031983
+ClCC[N+](CCCl)(C)[O-].Cl,0.34226437932294945
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.43134749121400484
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8978847620476621
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.6949110099668925
+Oc1nc(O)nc(c1)C(=O)O,0.08792627995615195
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.12794295278896664
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.3452484599427335
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.5117412965008932
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.674903137691904
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8137995899744418
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5494677538765347
+OCc1c(N)cccc1[N+](=O)[O-],0.8390239373489022
+CCNc1nc(N)nc(n1)Cl,0.26770312066203206
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7086457107839136
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8070270657650225
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8429107251666281
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.8527385190756511
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.9544433470554302
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7204395631268655
+OCCc1ccccc1[N+](=O)[O-],0.8291784120370538
+C=CC(=O)OCC(C)C,0.15112570077735443
+O=C/C=C\c1ccccc1,0.3811210927104167
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.07094220574629864
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.7974720617841861
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.956769340195057
+O=NN1CCCC1,0.8902099528917895
+O1CCC2(CC1)CO2,0.2145553064306375
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9769984923963433
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.20550919579414878
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.4540781433796614
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.17623492035121321
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.07501162646281972
+CCOc1ccccc1C(=O)N,0.15518763064555297
+O=Nc1ncn(c1c1ccccc1)C,0.6809478102965901
+NCN,0.1281523736510401
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.8313590339715432
+CNC(=O)Oc1cccc2c1cccc2,0.45207827343044166
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.9548464976988261
+CN(C)C,0.05761519890097795
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9341088198267677
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.6918434951246171
+OC(=O)COc1ccc(cc1)Cl,0.10995284270691305
+Clc1cccc(c1)Cl,0.12044522452656617
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5036855652925314
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.48540119813549615
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.1706517205352557
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.6779116840478279
+CCCCCCOC(=O)C(=C)C,0.17817307366622187
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8309478632482931
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.06298130151715983
+Nc1ncc2c(n1)nc[nH]2,0.5678735542288089
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9624990746240117
+OCC(CBr)(CBr)CBr,0.36719493520546304
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.20696942602193388
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.8419689260829077
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.6481347718039487
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.028175050423121264
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.3287162510842812
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.31437469511097776
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8091763860175835
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9443461981936744
+Cc1cccc2c1nccc2,0.5452978321861299
+CS(=O)(=O)O,0.032377622773158234
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.8537136684283051
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.6123972171246387
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.4875756886528672
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.06626495385403305
+CCCCN(CCCC)CCO,0.06022611200674119
+OC(=O)Cn1cncn1,0.06948121112066782
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.02726956604742456
+CCS,0.20134084390658627
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.603888739062041
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7466619394153581
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9252397194547048
+Nc1[nH]ccc2-c1c1ccccc1n2,0.784496556618712
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3585663800149022
+CNc1ccc(cc1)/N=N/c1ccccc1,0.8352317059275995
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7086356112346665
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.3885819979417723
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9627263560323365
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.11442800212255799
+[O-][n+]1cccc2c1C1OC1C=C2,0.866788633900266
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.21283512746160022
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.03853849700974328
+O=C/C=C(/CCC=C(C)C)\C,0.30803362519808614
+Nc1ccc(c(c1)Cl)C,0.7179651574921024
+O=CC[C@H](CCC=C(C)C)C,0.13370837053939694
+C1N2CN3CN1CN(C2)C3,0.13748336930676944
+CCN(C(=O)Cc1ccccc1)CC,0.3852567650407829
+CCN(CC)CC,0.10692806615529593
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.09537848295594284
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.62340599372418
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.035550510962285745
+NC(C(=O)O)CSC(=O)NCCCl,0.6250487938880892
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.676420485633711
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8123431624297137
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.6720834499589224
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.6258958739437678
+Oc1ccc(c(c1Cl)Cl)Cl,0.2266188787463898
+OCCN(CCO)C,0.09813298568353486
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.5054993193483168
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.0968315661442146
+Fc1cc2cccnc2c2c1cccn2,0.6350897005299756
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.17954157929596762
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.7587666645972567
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.0888902357150784
+NCc1ccc(cc1)CN,0.531118577593692
+ONc1cccc(c1C)C,0.6025340938198177
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6538893454507162
+Cc1ccccc1Cl,0.18340605118906397
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.06476686276430622
+Nc1cnc2c(c1)c1ccccc1cc2,0.9401699313751916
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9625380351687903
+Nc1cccc2c1cc1ccccc1n2,0.9407246071197352
+NN(Cc1ccccc1)Cc1ccccc1,0.5525490199798384
+COc1c2ccc(cc2nc2c1cco2)O,0.7930586824151821
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.656170409009338
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.8240717216963434
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.01021380533777759
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.12111731172693496
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.05409298353960212
+CN1CCOCC1,0.1205742850625232
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.11289170545376156
+OC(=O)COc1ccc(cc1Cl)Cl,0.14733220926632884
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.11881466668833901
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.027366956629694614
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9555178563046023
+c1ccc2c(c1)cccc2,0.5523793989129704
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9853129484329887
+NNC(=O)c1ccncc1,0.43923394392622017
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.9307044408116311
+OCc1ccccc1[N+](=O)[O-],0.8140773499073222
+O1COCOC1,0.07718300949656585
+[O-][N+](=O)CCO,0.6643043404239029
+ClCC(=O)NCc1ccccc1,0.6971374022997043
+O=NN(Cc1cccc(c1)Br)C,0.8457293089456702
+OC1C=Cc2c(C1O)nccc2,0.3026196488425221
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8632836935348923
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.508743162930908
+COC1OC1(C)C,0.840303879873139
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8839312736000171
+CC(=O)OCc1ccccc1,0.16334197619436017
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7946942282180883
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8291091682727078
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.28961416036451737
+ONc1ccc(cc1)c1ccccc1,0.8075855134241142
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.06265122301354177
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.7975839919646589
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9495709425185598
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.15581210410315907
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.23069632700957757
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.961845395250759
+OC1OC(=O)C=C1CCl,0.8013923135491365
+CCC(=C)C=O,0.2976982842450937
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.8863724035062386
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.048007563315434945
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.057424566396967844
+COc1ccc2c(c1)nc(n2C)N,0.7053265859416586
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.22444588022179487
+CCCCCC(=O)O,0.04923001545141533
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.3771685183243173
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.934489711618048
+CCCCCCCC/C=C\CCCCCCCCN,0.13907169966244967
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5523032395394167
+CN/N=N/C,0.8854832449269492
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8001187509493183
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.1344566240292719
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.9531263548767271
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8908706077972264
+C[n+]1c2ccccc2nc2c1cccc2,0.6591030667025987
+Cn1ncc(c(c1=O)Cl)N,0.8193287525770315
+CNC(=O)ONC(=O)C,0.6141907224325875
+S1CCSCC1,0.0644497842529143
+CC(OC[C@@H]1OC1)C,0.8161316784866761
+C1NCCS1,0.06080437802064986
+O=C(C1(C)OC1)NCc1ccccc1,0.7553943410964443
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.01744931655482254
+ClCCBr,0.8627478010642415
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.23309071250122237
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8078854775331259
+CCCCCCCCCCCC(=O)C,0.07091538232491429
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.7651798142711613
+Cc1cc2-c3ccccc3Cc2cc1C,0.644505524463398
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.9168285015354984
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.884638750192683
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.7185993439857867
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.8088703829361586
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.0713706722001104
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.11953135489969716
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8776754082670923
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.8659995635463208
+ClCC[N+](C)(C)C,0.18711481823587756
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8980094591888247
+Cc1cccc(c1)C(=O)O,0.09474886725870921
+CCCCCCOC(=O)c1ccccc1,0.15816575179600684
+BrC[C@H](Br)C,0.7095781407644663
+Clc1ccc(cc1)S(=O)O,0.15953909534625987
+CC(c1ccccc1)C,0.10276418703630288
+COC(=O)C1OC1c1ccccc1,0.5856940436394379
+CCCCOC(=O)C=C,0.17708726046752757
+Nc1ccc(cc1)/N=N/c1ccccc1,0.9003955106272894
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.16883633707599027
+C[C@H]1CC(=O)O1,0.20158511107411825
+O=C/C=C/c1ccccc1,0.3811210927104167
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.4531168899004546
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9052981086543066
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9467349659724289
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.04146606868939878
+COc1cc(N=Nc2ccccc2)ccc1N,0.9454348996863859
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.978149235087671
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.3470224954288919
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.0454646510777441
+CC(=O)C1(CCNCC1)c1ccccc1,0.05263562727633742
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.9618415993553137
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.259855057351106
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8211401754285862
+CCN1CCOCC1,0.08291789760054419
+OOC(c1ccccc1)(C)C,0.4005709451114932
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.5189327106529922
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.042450440873011586
+OC(C1CO1)CO,0.8408829206173183
+COC1=C(OC)C(=O)C(=CC1=O)C,0.302240835696778
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.870202269384805
+C/C(=C/C)/C#N,0.303322145018192
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9856923003372078
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.04889978466641124
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.789638640572321
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.1905676176480227
+Clc1cc(N)c(c(c1)Cl)O,0.6913560252336896
+O=C(c1ccccc1)OOC(C)(C)C,0.2643190467164349
+O=Nc1ccc(cc1)O,0.6741689715063872
+Nc1cc(Cl)c(c(c1)Cl)N,0.7182297611109654
+Clc1cccc(c1O)Cl,0.13219803891794554
+OCCN1CCNCC1,0.059153451318450984
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8863459140121819
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.38808264958443994
+O1C[C@@H]1c1ccccc1,0.7377171003703259
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9652954284057583
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.14100982189454653
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.12372951706813276
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.09937450412038663
+CCN(C#N)N=O,0.857037923094563
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.09348752554840027
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9771083665613739
+O=c1[nH]cc(cc1O)C(F)(F)F,0.188196329182168
+ONc1ccccc1,0.442424970503481
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.22945727049901413
+O=NOC(C)(C)C,0.667465095903966
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.3287162510842812
+CC1=CC(=O)CC(C1)(C)C,0.04776643032209882
+COc1c2ccc(=O)oc2cc2c1cco2,0.7793251004401864
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.7842243888293625
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.0486713327135732
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.15044468106860578
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.4528313444415629
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.8345968956677886
+CCCCNc1snc2c1cccc2,0.34888261232681317
+C=CC(=O)OCCN(C)C,0.4373466737431809
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9223146007859101
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.845463771566509
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.03366830979370516
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9867116950280472
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.3446448473788007
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7627707130238927
+[O-][N+](=O)[C@@H](CC)C,0.5556271784942637
+Cc1ccc(c(c1)C)O,0.12726979536104763
+C/C=C/c1cc(OC)ccc1OC,0.6600794884870963
+N[C@H](C(=O)O)CS/C=C/Cl,0.7775185942847999
+CCNS(=O)(=O)c1ccc(cc1)C,0.31726345140143264
+Oc1ccc(c(c1)O)O,0.29611493437495695
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.14921443524582992
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6931822779901249
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9214805028252254
+OCCSN=O,0.9514050270376319
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.11678468440286183
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.48456834256213555
+O=C1OC2=CCO[C@H](C2=C1)O,0.33685058933013945
+Cc1ccc(c(c1)O)C(C)C,0.02988609956841901
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.0955906270089963
+Oc1nc2c(o1)cccc2,0.17677307617329605
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.02245163971181561
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.8847426392228233
+O=NN(c1ccccc1)C,0.6986962726772626
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.12351645559697844
+CC1(C)C2CC3C(C1C2)(C)O3,0.13645556088984515
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.09586927171447723
+N[C@@H](C(=O)O)Cc1ccccc1,0.08184137892329948
+Clc1c(O)cccc1Cl,0.1323268448521185
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.04203979339265548
+COP1(=S)OCc2c(O1)cccc2,0.2565225653191991
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6384792753834321
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9223582991702483
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.7774163065310159
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.45192644579169516
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.4799762702086909
+CCNc1ccccc1,0.27479340023277576
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.8007981287582647
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.945213270662018
+BrCc1c2ccccc2cc2c1cccc2,0.9542164365860282
+CSCCC=O,0.425320530647464
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.10026371217058833
+O=C1C=Cc2c(C1=O)cccc2,0.5539842876330233
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.6400147499528429
+O=C1NS(=O)(=O)c2c1cccc2,0.046568527191437024
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.48987203663599327
+O=C/C(=C(/C(=O)O)\Cl)/C,0.4097152320835444
+CCCCCCCCCCO,0.07710486691124734
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6112316217311664
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.02419228753246197
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.5573382849472419
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.23650871956725247
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.398514508472281
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5928592738619867
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.13209392101790715
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.979309066989219
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.35058954039340773
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.16744401476411813
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9812425340430894
+CCC(OS(=O)(=O)C)C,0.3428492313727021
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8014632274234629
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.8540524798881431
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.050233602859027386
+Nc1ccc(c(c1)N)C,0.560593571855664
+CC(Cc1ccc(cc1)C(=O)C)C,0.08651151640345806
+CC(C#N)C=C,0.14838352205162184
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.38453069976206655
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.4775983692392058
+CCN(c1cccc(c1)O)CC,0.15835807305354402
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9253172392168875
+C=CC(=O)NCCC[N+](C)(C)C,0.08941870791787752
+C=CC(=C)CCC=C(C)C,0.17579985558318695
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9328028808155713
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.883757317358194
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.6195162446131743
+CCNC(=O)CCC(C(=O)O)N,0.159099635975005
+Cn1c(N)nc2c1cc1ccccc1n2,0.9229217044787359
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.251047494215058
+NCCCN,0.15585036166329394
+CCCCCCCCC=O,0.1396318369253372
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9638698849499066
+Oc1ccccc1Cl,0.1730676469549294
+CC(=O)Nc1cccc(c1)O,0.14797039523881975
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.12665701230563778
+OCCS,0.3032940895003064
+CC1(CO1)C1CO1,0.8127688044150075
+Nc1ccc(cc1)N=Nc1ccccc1,0.9003955106272894
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.1691074500376921
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.13208166511190436
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7576778302586499
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.970339622610481
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.08838138740735033
+OC(=O)CCc1ccccc1,0.04406629620141771
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.6556833168979528
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9133070411625072
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.107276494751515
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.20184824794179254
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.8105386070144203
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.225608688981651
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.968420216593294
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9604318151037882
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.08320197324137131
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.017151905017444197
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9061057512637946
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.11022633911724157
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6890090246483287
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.3312454908654647
+CCNC(=N)N([N+](=O)[O-])N=O,0.7788036873996653
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.6732612849489928
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.07797942901067287
+[O-][N+](=O)c1ccc(c(c1)O)N,0.9090150874203535
+Cc1cccc2c1cccn2,0.45202836153616655
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.8850968201782162
+CCCCCCC=O,0.20752201550346008
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.649139123180866
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.7257362790419303
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6789727312438867
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.7958053628555971
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9812653455401648
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9530331843729373
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.7615761502453186
+Clc1cc(Cl)c(c(c1)Cl)O,0.15473962769382008
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.967422882993366
+OCCn1c(C)ncc1[N+](=O)[O-],0.778277915236967
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.08838138740735033
+CC(=O)OCN(N=O)CCCl,0.984542294081079
+C/C(=C\C)/CCl,0.658149894271905
+BrCCCCBr,0.4521845943913201
+CC(C=O)CC,0.25235872114339797
+CC(=O)n1cncc1,0.5166774355664027
+Oc1ccnc(n1)O,0.21787647184552775
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5832787498538036
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.6205196992230089
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.8815310513483661
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.79599042035451
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.7366565448932715
+ClCC(Cl)Cl,0.6060621159844884
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7570722176937152
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.21223479036676254
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9566616107988297
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9815608121435823
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.8980103911405948
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.4541231512152756
+Clc1nnc(c(c1)O)c1ccccc1,0.10538810171124659
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9482027872850636
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.45343605692393596
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.911461295178914
+CCc1cccc2c1nccc2,0.3786682804140381
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.482164407139802
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.8539917792389878
+O=NN(C(=O)c1ccccc1)C,0.6926225408296657
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.7504770815350379
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.1273007302115553
+COC(=O)c1ccccc1,0.1081049147571335
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9914899112217355
+O=NN(c1cccnc1)C,0.6251453746360778
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.13469309506948704
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9683097931850403
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.8422464045398814
+CC(=O)Nc1cccc2c1cccn2,0.3301841110117721
+c1ccc(cc1)c1ccccc1OCC1CO1,0.8303723517758601
+ClCCCN(COC(=O)C)N=O,0.9786467080486028
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.8180130278303067
+NCCS(=O)(=O)O,0.19111057587115823
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.23572248574843296
+C1CCC(CC1)NC1CCCCC1,0.11073796250290395
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.17663080218462499
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.43430882713410934
+CNc1ccc(cc1)N=Nc1ccccc1,0.8352317059275995
+ClCC[N+](C)(C)C.[Cl-],0.18711481823587756
+CC(CCOS(=O)(=O)C)C,0.3662252981993829
+CC(c1ccc(c(c1)O)C)C,0.0766026528057126
+Cc1ccccc1C,0.1344566240292719
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.4574358489992316
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.10428612652016178
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7909943221734771
+OC(=O)CCCC[C@H]1SSCC1,0.11990256208298727
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.029412454348819457
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.37053612410665987
+O=c1[nH]cc(cc1N)c1ccncc1,0.5989263931511832
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.2224988542300983
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9779699682752808
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.5113389390558098
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9627177560011965
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9133026075602142
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.6289167894881399
+ClCc1cccc(c1)CCl,0.6008445838774696
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.914557705231
+OC(=O)/C=C/c1ccccc1,0.08976164836676663
+[O-][N+](=O)c1ccccc1,0.5531862706212106
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.7058236326777145
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.973704955529503
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.04063352192839227
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.8669959503076262
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.338278983138183
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.9663167859046388
+COP(=O)(OC)C,0.2343888124642561
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.1250707089405101
+Cc1ccc(c(c1)O)N,0.4992632450747346
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.5776765834578416
+Nc1c(C)cccc1O,0.5789629122348187
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.3453743880325489
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.034988649115451305
+ONc1ncnc2c1ncn2C,0.5469776550353991
+OCc1cc2c([nH]1)c1ncccc1cc2,0.768565727123779
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.8224218971845383
+CCC/C=C(/C=O)\CC,0.27292179864706384
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.047995744419050336
+C=CC(=O)NCNC(=O)C=C,0.19966819697616628
+COCOC,0.21533711952363543
+CCCCCCCCCCCCC=C,0.06927906372281084
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9685078604043353
+CC(CNc1snc2c1cccc2)C,0.5180083740349621
+Cc1cccc2c1ccc1c2cccc1,0.9010233234581119
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.2363769917016598
+Oc1cc(Cl)c(cc1Cl)O,0.16040043032789952
+COc1cccc(c1)N,0.33284988683262434
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.676799716555888
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.8963226466728168
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.4070973399183552
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.20815541900456375
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.7916837460725498
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.4953075575062169
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.8056009490979026
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.47701470248715766
+CCOc1cc(C=O)ccc1O,0.3425275401521154
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8402032025065178
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.31792371262186436
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.21823277208700326
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8869341056154261
+OC(=O)c1ccccc1N,0.10789114360274103
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9542289876558434
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.0583192475596152
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8539266492320686
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.01715171889344323
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9512831720813845
+ONc1cnc2c(c1)nc1n2cccc1,0.869374893560324
+C=CC(=O)OCCCCCC(C)C,0.07947211132237676
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.09546400667036621
+CC[C@H]([N+](=O)[O-])CO,0.48490419782947564
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.08374694504064006
+OCC(C(C(C(C=O)O)O)O)O,0.43857333913762325
+ONc1nc2c(n1C)ccc1c2cccn1,0.8965814358368013
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.06537807549730291
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8932197924197723
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9471827945076272
+CC(=C)C(=O)OC(C)(C)C,0.20732640208581885
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.3180620828230508
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9724443352056137
+OC1=CC(=O)C1=O,0.7185448474686513
+OC(=O)C(Br)(Br)Br,0.7222399091390834
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6820667873138333
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.889735699133485
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.4527349682148167
+COc1ccccc1O,0.18025264450352024
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.16771865168689615
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4941512563407871
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.23181360203829213
+Clc1nncc2c1nccc2,0.6930284566399515
+[O-][N+](=O)c1cccc(c1N)C,0.9047457965769339
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.0504782164916326
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.8480586372774009
+ClCC(=C)Cl,0.6928272971750377
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8836657121794971
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.531028113958885
+CCCCCNCCCCC,0.13615510685819301
+FCC(F)(F)F,0.1555074760284606
+BrCC(CBr)Cl,0.7221669040352029
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9074026470299219
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.9169387530173245
+ClCCN([P@](=O)(O)N)CCCl,0.7594184047357382
+CCC(=O)NCc1ccccc1,0.13453224954656964
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7887707488909342
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8233140507799939
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.871165316759284
+Cc1ccc2c(c1)c(N)sn2,0.76771476065642
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9494747627702695
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.1881585642333703
+O=NN(C(=O)N)CCC(=O)O,0.7278171997638955
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8151370374372994
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.8927868816200576
+ClCCOP(OCCCl)OCCCl,0.5536415414687867
+CCCSC(=O)Cl,0.3732266586744327
+O=NN(Cc1cccc(c1)C#N)C,0.8680236217600157
+O=C1C=CC(=O)C(=C1)C,0.6457573686627163
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.4468088126066824
+Nc1ccccc1SCCSc1ccccc1N,0.4967049852693978
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.8454856028172898
+ClCc1ccc(cc1)C(F)(F)F,0.39896537780905833
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.9141973231555627
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.04081184025272684
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.005121963073838239
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7757328950770445
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.010831546487483417
+OCc1ccc(cc1)F,0.21664095090293822
+Cc1ccc(cc1)CC1OC1,0.606975778250251
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9739722670478568
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.6610532052103042
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8509339238729258
+CCCCCCCCCCOC(=O)C(=C)C,0.11965997409486583
+ICC[C@@H]1OC[C@H](O1)CO,0.3185635737423935
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4694292422584561
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.20301339394082482
+Cc1cnc2c(c1)cccc2,0.36448413586337497
+CCCCCCCCCCCCCCCC(=O)O,0.026020941781146934
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8545918533981038
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.8724957989708187
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.7169181849386094
+COC(=O)c1ccccc1S(=O)(=O)N,0.3258091531971431
+O=NN(c1ccccc1)COC(=O)C,0.8270791401022383
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.8595668260553962
+NC1CC(C)(C)N(C(C1)(C)C)O,0.1378385933274298
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.8801534367164534
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7275858955537815
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.06775805083382999
+CC(OC(=O)CC(=O)OC(C)C)C,0.1605841132269433
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.05269841229005413
+BrCCCCCBr,0.5412335542388371
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.3636760120284178
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9124529236229415
+CN(C#N)C,0.7020287822947144
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9621277604018913
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.7842380737861402
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.551155568650819
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.3013541538387685
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9424401101735951
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.5958111794164089
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.08616389917754896
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9108943155253793
+OC(=O)CCP(=O)(O)C,0.09283597420094382
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.3807054588716642
+CC1=Nc2c(C1(C)C)cccc2,0.35320939885724517
+CNc1c(C)cc2c(c1N)cccn2,0.8100399559349806
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.8667132971319897
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.6253959006551607
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.6564277476155637
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.7294251828802303
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.19840124217818997
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.951026137681652
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.793708106089582
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9039437506297845
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9726426335132002
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.6025538283711852
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.0807354546352199
+Cc1ccc2c(c1)nccc2,0.35796670567251343
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.7809182083036178
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9192223204520097
+O=Cc1cccc(c1)[N+](=O)[O-],0.9143370240803392
+CCN(C(=S)SCC(=C)Cl)CC,0.38603317189934216
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.3923206296363763
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.8902527758898607
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.33656223386274164
+CN(C(=O)Cl)C,0.7765093148056273
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.05627763153127457
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.06759248779584506
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7265857023323248
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9598360652391729
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.41345303200287875
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9403550531209625
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.3528368357487882
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.10192243525538319
+CC(=O)/C=C\c1ccccc1,0.2633175710351827
+C/C(=N/O)/C(=O)C,0.40045586573943664
+CCNc1nc(NC(C)C)nc(n1)Cl,0.119412033126089
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.32097962727574797
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8050675096322821
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8490288657645091
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.3358075274770272
+CCCCOCCOCCOCCCC,0.24046963258254467
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.17284700527264368
+CCC/C=C/C=O,0.5427842432678847
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.9105494131694637
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.02460099559771199
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8273865522772015
+CCNS(=O)(=O)c1ccccc1C,0.3113118933721856
+[O-][N+](=O)c1cccc(c1C)C,0.48936671099265794
+ONC(=O)c1ccccc1O,0.47243626246261955
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.8603649361492361
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9150996022745349
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9164045959867995
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.08232394002981547
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.1296760692649192
+CN(CCOC(=O)C(=C)C)C,0.5277982900578455
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.5578450450058747
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9147101541133306
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.7435514636889018
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9748518803775578
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.5836579615964768
+O=c1[nH]ncc2c1cccc2,0.4759903581291146
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.9094964039038961
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9057132877708354
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.5393744436576914
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.7609101989924345
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.6929462824814229
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7895009589809897
+C=C1CCC2CC1C2(C)C,0.022156188353087095
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.24122518170443788
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.9353726818016297
+O[C@@H]1OC(=O)C=C1CCl,0.8408257363286997
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.16537568402874628
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.014290741623535627
+CC(CN1CC(OC1=O)C)O,0.2867334558976646
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.154537479006618
+CCCCC(=C)C=O,0.2876107386298514
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5627361159039448
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.27459113105110966
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.5962669285425428
+CC(=O)Oc1cccc2c1nccc2,0.36547059909821106
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.9610205811131721
+CCC[C@H]([C@H](CO)CC)O,0.014366110809301766
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.6646609284990451
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9445531617984125
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.4492919696093458
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.367585844085485
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9506352528931536
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.6659825717454587
+CCC(=O)C=C,0.18058060303084325
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5560171999735697
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.30610299484056364
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.7372123961765457
+CCCCCCCCCCCCCC=C,0.07096530645802224
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.1929264935875156
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.8258579835858445
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.07843646562765959
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.8757163805670151
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9251905563667755
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9834714515613184
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.23533412399197873
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8707831212036746
+OCc1ccc(cc1)NNC(=O)C,0.24132118866069507
+ClCC(=O)N(c1snc2c1cccc2)C,0.6922029834254421
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.12434706193848204
+O(CC1OC1)CCOCC1OC1,0.824791781166178
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.8434461028979069
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9307166141620871
+COc1nsc2c1ccc(c2)OCC1CO1,0.9425942970005161
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.07007014831029848
+OC(=O)CNCP(=O)(O)O,0.18554369815987357
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.2987695527866528
+CNC(=O)N(c1ccccc1)c1ccccc1,0.15499541761285932
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.027700871292735598
+[N-]=[N+]=NCCc1ccccc1,0.8469356215315114
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.03091279066875173
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7637142690069558
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.21079400271666102
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.6262261531145971
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.5816345178508702
+OC(=O)c1ccc(cc1)Cl,0.13009352772859734
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.015661984586430498
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.4637783292803623
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.14219211729628076
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.90795758609632
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8663853970570726
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.8843617250827536
+CN1CCC(=CC1)c1ccccc1,0.2738750049596833
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.39876645783103987
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.07337286977397002
+OCc1occ(c(=O)c1)O,0.4469567924853019
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.5731963273178482
+CCCCCOC(=O)C(=C)C,0.2248410855586556
+OC(CN=N#N)CN=N#N,0.9449365546773946
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.21263549163728496
+Fc1ccc2c(c1)sc(n2)O,0.31080278977754183
+Cc1ccco1,0.30320050977167917
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.8518735817175783
+C[C@H](CCl)O,0.5626993481898557
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.039029704412846644
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8068072340565773
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.16076150325009164
+CCC=O,0.356867979623303
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.26126315092101215
+CC(OC(=O)C)C,0.1332845933904627
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.766774655014499
+Cc1ccnc2c1cccc2,0.4244827820618121
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.5497433411727348
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.29492979015683785
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.5712181158058728
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.2250763189834961
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.32519721241852234
+Oc1nncc2c1cccc2,0.3733082396701919
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.34939238229464836
+C=CCCC1CO1,0.8896196601605322
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3648735842597579
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.19191347372849774
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.8741093065396955
+O=C1COC(=C1O)C,0.41142466577158854
+NC(=N)N,0.41384230717211923
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8125348410868325
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.16020997266875134
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9743853663762858
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.7675260335654046
+CCCCOO,0.43275668096403186
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.857016636873178
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.704831537895316
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.35920005849737247
+COc1cccc2c1nc(s2)N,0.726668474148037
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9564647374148673
+CCCCCCCCCCCC(=O)O,0.0355539092383144
+CC1=CC2CCCCC2c2c1cccc2,0.6070440331752953
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.6049706719287703
+Oc1ncc(cc1N)c1ccncc1,0.6116165793967809
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.8641942341364466
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.6855239136050637
+CCCCC(CCCC)(CCC)S,0.02833944397963405
+CN(c1ccccc1)C,0.5919132690474298
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.2524824367897209
+Nc1ncnc2c1ncn2Cc1ccccc1,0.5930259626881857
+NC(=O)c1cccnc1,0.21653923997751215
+N#Cc1ccc2c(c1)nc(n2C)N,0.692808333451414
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.02566970640993766
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.7613396232690711
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.8888039595350636
+CCOc1ccc(cc1N)NC(=O)C,0.48951349936309024
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.6728383905969997
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.5178930713407848
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.8207833858732256
+Clc1ccc(c(c1)Cl)O,0.21660816894781212
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.3903971095548572
+C/C=C\C=C,0.27276032929903704
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.07933986205937209
+CCN(c1ccccc1)Cc1ccccc1,0.5987398133751911
+Nc1ccc(cc1)N.Cl.Cl,0.4858501155041101
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9145321656106058
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.9574932361270687
+OC(CO)CN=N#N,0.9661402130292314
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.6716198899429353
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.5422670332210439
+CCOc1ccccc1[N+](=O)[O-],0.694805768020364
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.25247638826486957
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.11827626885971339
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.05151701251072974
+BrC[C@H]1CO1,0.9811501865574007
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.6553530533617419
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.47106379783723135
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.8532226590172045
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.015594437458321852
+Clc1cccc2c1cc1ccccc1c2,0.8777271948930325
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.7093601910872696
+CN1CCN=N1,0.8570857621956781
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.10848785903128941
+O=NN(C(=O)N)CCCC(=O)O,0.7123302743288967
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7687331621800324
+CCOS(=O)(=O)c1ccc(cc1)C,0.22527756584854416
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.05086497079998439
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5128032404742684
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8753219176200666
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7446375150976307
+CCCC(=O)OCCC(C)C,0.16379501828465562
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.5767803919246834
+c1ccc(cc1)Cn1cncc1,0.5111534829853216
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.20740635248102426
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.4871217865845651
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8800280264181236
+Nc1ccccn1,0.35053842285944514
+OCCc1ccc(cc1)N(C)C,0.1362340312558347
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9839230349907327
+CCCCCCC1OC1,0.5683047706258085
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2801924779925871
+c1ccc(cc1)[Se][Se]c1ccccc1,0.08613122505916977
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.7758437281175677
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.2826099085543931
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.05818422470337354
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.3814535902546571
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.16085612443146965
+CCCCC,0.05613527227554332
+CCSCSP(=S)(OCC)OCC,0.44167671091740407
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.05232274406670147
+Oc1cccc2c1OC(C2O)(C)C,0.2956960590178924
+Cc1ccc2c(c1)cccc2,0.5221823888738325
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.14525818591440048
+O=NN1CCC[C@@H]1c1cccnc1,0.304695715267542
+CCCCCN(CCCC)N=O,0.8010619221984485
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.696098372539431
+CC/N=[N+](/CC)\[O-],0.562073103252313
+CCCCN(CCC(=O)O)N=O,0.5784321265663469
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.978451083864855
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8068072340565773
+Cc1cscc1,0.23596933772681594
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.7296619019636532
+Clc1cnc2c(c1C)cccc2,0.5994596143937886
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.90217854427008
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.1914621938198063
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.3670417351854996
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.07037467478487903
+O=Cc1ccc(o1)[N+](=O)[O-],0.9301161726377433
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.7954427723915399
+O=C1NC(=O)C(=C1Cl)Cl,0.6493661220574923
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.8215048865009399
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.8895574413222884
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8472520732277296
+OCCN(N=O)CC,0.8516512391872292
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.8929479274473067
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9332423740692548
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.39365052587460647
+C/C(=N/O)/CC,0.3126704600629197
+ClCC[N+](CCCl)(C)[O-],0.32897886396015386
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.10000859376408204
+OC(=O)CCCc1c[nH]c2c1cccc2,0.08057417108088927
+C/C=C/c1ccc(c(c1)OC)O,0.4362511668490096
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9667809405555564
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9609229624968956
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4087700294908625
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.6581801803894942
+COc1nsc2c1cccc2OCC1CO1,0.9206583301130494
+CCOC(=O)C(Br)C,0.5501329428427666
+[O-][n+]1ncc2c(c1)ccnc2,0.508830058566679
+CC(=C)C(=O)OCC(C)(C)C,0.13878651475827752
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.08909995245327748
+CCCCC1CO1,0.6919703427731083
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.26784572952430824
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7346192525456774
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6142546084156557
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.3545147786003744
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.2249680348778429
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.36683049214166763
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.12651422008609675
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.19045483258483106
+Nc1ccc2c(c1)nc(c(n2)C)C,0.6693779942078534
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8387587654248037
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.07822689240672168
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9852498175423331
+CCCSP(=O)(SCCC)OCC,0.22065729554932328
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.23986851060422557
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.8966319430215708
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.48668313350891484
+CCCCCN(CCCCO)N=O,0.8036108503359614
+O=NN(CCN(C)C)C,0.8688053935096849
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.688302859267579
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9379393934425686
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.17114966041782645
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.2024912612009289
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.24502995847526102
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6803783974243036
+COP(=O)(N1CCOCC1)OC,0.42792219385467783
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.7747106102872542
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.385326675507583
+SC[C@@H](C(=O)O)NC(=O)C,0.22634683216324372
+Nc1ccc(c(c1)Cl)Cl,0.7069362227181604
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.29661788980342524
+CCCCCCc1ccc(cc1O)O,0.06565031344143642
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.08348645534655295
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.3940215331441409
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.11835682988391828
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8313406145179788
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.844656642486626
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9512586553493655
+O=CC(=O)c1ccccc1,0.378595814632163
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.928897274356907
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.9339210697812573
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7842380737861402
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8482932188356375
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8790853265419948
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.2008611458587804
+ClC(=O)CCc1ccccc1,0.2493299253841203
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.21449573812461029
+Cc1c(N)c(C)c(c(c1C)N)C,0.3492439105910043
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8236614000681214
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9748518803775578
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.7174420185222856
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.9068845041106788
+c1ccc(cc1)/C=C/c1ccccc1,0.27477818500135703
+CCC(C)C,0.07157819616685263
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.02798353889753551
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9869464240596529
+S=C=Nc1cccc2c1cccc2,0.517675696785404
+CCOC(=O)C(=C)C,0.2939005967528254
+O=CC(C)C,0.4487118426772702
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9310413587954518
+ClC(c1ccccc1)(Cl)Cl,0.38866740419728074
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.872480009850915
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.7862837301826111
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.036643747747895514
+CCN(c1ccccc1)CC,0.29931363670614275
+O/N=C(/c1ccccc1)\N,0.5185693427722956
+Nc1cccc2c1cccn2,0.6060070131900985
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9819124767507189
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.829528933157646
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9883428458786603
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.34977566222121037
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.32581269173318456
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.8737694113712011
+NC(=O)c1c(Cl)cccc1Cl,0.2787942193479046
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.16636164026148786
+COc1ccccc1[N+](=O)[O-],0.6824199321034309
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.8531375234650223
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.25747076525841994
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.8429816363784562
+CC(=C)C(=O)O,0.07715872442819383
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.8448118568720854
+CC(Cl)Cl,0.40445324045468894
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9714090072305432
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9763248769681814
+COP(=O)(O)O,0.09599217767321733
+NC(=O)NO,0.7150364197839122
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9610481393697019
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.7474878080346239
+C=CCc1cc(OC)c2c(c1)OCO2,0.3352796242953386
+C/C=C/C=C/C=O,0.6389513885382554
+O=C=Nc1cccc2c1cccc2N=C=O,0.7295144957587092
+O=C1C=CC(=O)O1,0.3364698537368755
+O=NN(CC(=O)C)COC(=O)C,0.8687905123285714
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9751071240531283
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.46285536538600325
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.8925784339048158
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.6560521419452402
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.920370502970232
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9481289874808697
+C=CC=O,0.5676747000253761
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.10084198787323342
+Clc1cc(Cl)c2c(c1O)nccc2,0.5393395790539576
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.7798543421791211
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.008080336411429969
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.5162894049497483
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.0530407244168816
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.10334490305598977
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5490333403244211
+O=C(Cc1ccccc1)OCc1ccccc1,0.1517767152927071
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.07936597123024662
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.8113043375393978
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.026635701216564923
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.19964636583017134
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5324651560850999
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.255792227848791
+ClC[C@H](O[C@@H](CCl)C)C,0.3521199992279833
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9762159725096615
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.06395001671194134
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.17142675263456666
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.3968071960058515
+OCC(C1OC(=O)C(=C1O)O)O,0.32737173838203243
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.08748465338644491
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.954756718079226
+CCCCN(C[C@@H](CCO)O)N=O,0.5518230579056873
+O=N#Cc1cc(C)cc(c1)C#N=O,0.20271216516068744
+CCN(c1ccccc1)N,0.7104085460134928
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6630469701743702
+[O-][N+](=O)c1cccc2c1snc2Cl,0.9266127643257305
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.35517919898994793
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.3113781665685851
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.6737114176980192
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.12443470456083351
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.6595405916411189
+ClC(C(Cl)Cl)Cl,0.5850159221667239
+Cc1cccc(c1N)C,0.5988400951624183
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9692812860516675
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.24693388777739553
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.6725649123199566
+Cc1ncc(nc1)C,0.04584752536621864
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.07653410847390843
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8412740786128431
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06320759201112017
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5362113311036716
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.8329746865912282
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.8424779913519949
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.007746311336087894
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.10837965212799529
+Cc1cccc(c1N)C,0.5988400951624183
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9403842393237992
+CCOO,0.467919953353384
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9326931517132757
+CCOC(=O)c1ccccc1N,0.33816238152522704
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9860830401905697
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9773713855657834
+O=Cc1ccccc1O,0.19598864355327222
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.080011131423751
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.6735282833738876
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9664068751686923
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8330124047614617
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.046255851705544936
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.10306622034271248
+CN(C(=O)OCC)N=O,0.9608613213251898
+OC(=O)[C@@H](CCl)Cl,0.6719670881532896
+C=COc1ccc(cc1)[N+](=O)[O-],0.7396340944437816
+CNC(=O)O/N=C/C(SC)(C)C,0.41270706984619987
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.08616389917754896
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.5427232071349348
+CC(COS(=O)(=O)C)C,0.3587807987493133
+C[C@@]1(CO1)C=C,0.757126007049454
+Nc1cc2ccccc2cc1N,0.854981192910302
+Brc1cccc(c1)c1ccccc1,0.27810754763374584
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.1853374999584281
+OC(=O)CC(C(=O)O)N,0.12524085910195606
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.6386097907553149
+CC(COC(=O)C=C)O,0.2586756200878493
+O=C1c2ccccc2Cc2c1cccc2,0.5565203993772333
+O1CCOCCOCCOCCOCCOCCOCC1,0.208390003877545
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.01483593180410759
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.2625190601917742
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.3067829007296818
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.005990956424256514
+NCC(C)C,0.12097230041283255
+CCCCCCCCCCCCc1ccccc1,0.046321488739582944
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.35497039955212506
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.3184027945934382
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8760522525009429
+NN(C(=O)C)C(=O)C,0.4932421827662431
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8412740786128431
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7503141307859511
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.3870220205951769
+CC(=C)c1ccccc1,0.15631444902484445
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.1333524968718007
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.7807138023343339
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9692652555515675
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.7300535250785521
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9152345996333635
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.37937870976583926
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8171708591995964
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.6030941558099974
+ClCC=CCCl,0.867499623487701
+Nc1c(C)cccc1N,0.8081328618289073
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.16024949477023892
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3118883010395025
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7982440251172135
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6092698571374265
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.3854604812150158
+Nc1[nH]cc2-c(n1)ncn2,0.4527328318876653
+C=C[Si](Cl)(Cl)C,0.11678346508727398
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.1067898265170027
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6836390927119236
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.02989202232178239
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.9603164859436595
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.7476399818763232
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.8188709078632861
+NC(=O)C=C,0.3055454773528219
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.6969954632919063
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.7792932433240934
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.23214961714486826
+[O-][N+](=O)/C=C/c1ccco1,0.5858191316347618
+ClCC(=O)c1ccc(cc1Cl)Cl,0.4949718913055105
+O=NN(CC(=O)COC(=O)C)C,0.8781488293780346
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.7539615299085336
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.666699999714262
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.3519351208955793
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.27722224607471174
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8610133919915123
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9324565877437836
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.970475042483412
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.6976274475298777
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.5681284223995937
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.6708370112880108
+Clc1ccc2c(c1)c(N)sn2,0.7274275234200299
+N#N=Nc1nc2c(n1C)cccc2,0.9558451336179739
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.38981151177501716
+C=CS(=O)(=O)C,0.11470069503422176
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.1844025097414377
+CCO[Si](OCC)(OCC)C,0.03340149746682347
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9870285962671869
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.23078050023243527
+OCc1c(CO)cnc(c1O)C.Cl,0.11028997575275379
+CC(C(=O)O)Cl,0.3898122074508606
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.15556422750222393
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.9212044672174103
+Cc1nccc2c1[nH]c1c2cccc1,0.6205095028079572
+O=C1CCc2c(O1)cccc2,0.17124819287199136
+BrCC(=O)N(Cc1ccccc1)C,0.7910880870589714
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.3012089483859553
+Nn1nnc2-c(c1O)nc1c2cccc1,0.8659313122878194
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.5128222865287272
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.01767195386008014
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3309140922276029
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.6786126676434927
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8416838096246069
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.7463591252440454
+CCCN(CCC)CCC,0.12548849067147536
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9546520882101384
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7342853822929536
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9117846880174781
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.6280214423720801
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.7010665313280523
+OC(=O)[C@H](O)C,0.12688440762458128
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.2755248680948992
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.14672122331276433
+ClC(=O)c1ccccc1F,0.12746649886226263
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8572863285953406
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.18579588415365014
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.8053754235219298
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.6362627656681293
+CNC=O,0.6279725993769529
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.38952466139523845
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9352730761053069
+ClCC(C(Br)(C)C)Br,0.2981273375655793
+COC(=O)c1ccc(cc1)C=O,0.17392276300966664
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.7143970105128954
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.6888381375648044
+ClNc1nc(NCl)nc(n1)NCl,0.22291539880928699
+CN(c1[nH]cnc2-c1ncn2)C,0.3926724381156364
+C[C@H]([C@@H](CBr)Br)Cl,0.8336414423800503
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.8448507472084404
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9899750661058067
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3790660628586174
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.939900776086928
+O=c1cn[nH]c(=O)[nH]1,0.18771143560806625
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.01916862511250368
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.2765984586418251
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.11803162496605882
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.24558541312054002
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.7034779420276948
+OC(=O)CCl,0.540746949465032
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.13175230012334938
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.1195041934860063
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.3102032996530863
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8957444054723239
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.012539428761518
+C[C@H](C=O)CC,0.25424323701646884
+ICCc1ccccc1,0.426343364334055
+Cc1c(NC)ccc2c1nccn2,0.6651621193320766
+NC1CCCCC1,0.08093802776458758
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9413320580061528
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.757905819721273
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.03018111323884779
+ClC(C[C@@H]1OC1)(Cl)Cl,0.8420074572306392
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9428720603874531
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.8050928687249211
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.8476607738723647
+Nc1cc(Cl)cc(c1)Cl,0.40189975720370813
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.7482487893928303
+COC(=O)c1sccc1S(=O)(=O)N,0.20396323511573075
+ONc1ccc(cc1)[N+](=O)[O-],0.7823733172004629
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.41902231967859116
+NC(=O)Nc1ccc(cc1)C,0.5576762455948435
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.6109090405102527
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.17831955300800226
+BrCC(=O)c1ccc(cc1)Br,0.3245166734574438
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9020551350054534
+CCN=NO,0.8169622712245109
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.7961824047347249
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.48382227987967436
+c1ccc2c(c1)ccc1c2nccc1,0.84371244818749
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.0423257154745705
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.16377236932190162
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.2046218899597539
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.4775431609705807
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.5455113848439896
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.2555032108010708
+CCCCOP(=O)(OCCCC)OCCCC,0.25342127007029014
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.9331061104102537
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.6688837313211331
+COc1nsc2c1cccc2OC[C@H]1CO1,0.9206583301130494
+c1ccc2c(c1)nc1c(c2)cccc1,0.7654891141646254
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.7863985449561778
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.31067519958094925
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.11945109717271885
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.858192973916616
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.831661739861286
+O=C1NCNC(=O)N1,0.0530441932417783
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9424933251453811
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.23702654279303942
+OCCOCCOCC,0.21024383474956948
+O=C/C=C/c1ccc(cc1)N(C)C,0.6164717810255264
+Oc1ccc(cc1)C(=O)O,0.06810568893801093
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.13752673709845192
+C/C(=N\O)/CC,0.3126704600629197
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9714251690721469
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.1951001154846099
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9596051138913901
+CCC(=O)C(=O)CC,0.0991161121245226
+C1CCCC1,0.049557762074249515
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.5939789418510095
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.3699478062426758
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.1477424603251358
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.15598163482232147
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8395365287852554
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.1944028928061747
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.020572965961181616
+Cl[C@@H](C(F)(F)F)Br,0.21406834477270734
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.5225950173918097
+CCCCCCCCCCCCCC(=O)O,0.0264608052514988
+c1ccc2c(c1)Oc1c(O2)cccc1,0.4931170547055637
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.10547043293927116
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8694115942242592
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.2899883972256559
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.9148616179721668
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9592866335565399
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.38321251396886474
+NNc1nncc2c1nccc2,0.8581264259853689
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.6208523222359177
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.3085239806531785
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.9236548677652645
+O=C1C=CC(=O)C(=C1)Cl,0.6402341479087477
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.4728510536149537
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.07510165293935268
+N#CCC[C@](C#N)(CBr)Br,0.6368012971381829
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.5043585182038973
+C=CCOC[C@H]1CO1,0.9372340332989295
+O=c1nc[nH]c2c1cccc2,0.23979683786679623
+COC(=O)CCC(=O)OC,0.29035832514987137
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.015366745719910596
+NC(=O)NCC(=O)O,0.612164888805702
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7429525457591313
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.7883235721047127
+CC1=NNC(=O)N(C1)N,0.7276390911672358
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.891394040316028
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9494586765992155
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.1462126529155804
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9053313727109068
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.711068189549712
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.1421073219187024
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.06031935593192515
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8610925256785534
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.11853374850695625
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.7330720484473368
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.920370502970232
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.30336617630682294
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.7587576003384442
+CNC(=O)Oc1ccccc1OC(C)C,0.27602081872569845
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.03272991410483834
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.7827743967964277
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.19506752498507884
+O=C1CC=C(O1)C,0.14832872200388497
+CCCCC=C,0.05762646484647692
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.22740771965033454
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.019326346558934674
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8498072541829789
+Clc1ccc2c(c1)cccc2,0.6044060576504914
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.5434791773822188
+COc1ccc(cc1)N,0.4295991257760985
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.44194987768249006
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9184409711951622
+[O-][N+](=O)c1ccc(c(c1)N)O,0.8403724279810115
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2972293500483534
+CCCCN(CCCC)CCCC,0.11614292288849389
+ClCc1ccc(cc1)Br,0.5525049535203366
+CN(N=O)C[C@H](O)C,0.9326118899689375
+COP(=S)(SCC(=O)N(C=O)C)OC,0.668996658676699
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.0988531077373079
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.11086674542669034
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.7761865839704081
+CCCCCCC(=O)OCC,0.13074192238556004
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.2649564066393785
+NC(C(=O)O)CS/C=C/Cl,0.7486319129830571
+ClCN1C(=O)c2c(C1=O)cccc2,0.6528479560536793
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.815581092402828
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.5261780899292285
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.6609518964783132
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.3568932222238558
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.823543019350301
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9545476984391443
+CCCCN(CC[C@H](O)C)N=O,0.7777378452547973
+ONC(=O)c1ccccc1,0.3118346036521795
+OC(=O)c1cc(O)c2c(n1)cccc2,0.38104776090507086
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8558570807272217
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.8914465761112907
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.7025842591914048
+CCN1CCN=N1,0.9445866435120431
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.8871354900546364
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7284594756745636
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7766652038845804
+BrC(C=O)CBr,0.9727906544279148
+Nc1nc(O)c2c(n1)nn[nH]2,0.32056296838101006
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.17292065303143206
+C[N+](Cc1ccccc1)(C)C,0.025916911721226468
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.12176068160830082
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.5028958847661034
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9407333663582977
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.4844414965815872
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8558225882273736
+C/C=C\c1cc(OC)c(cc1OC)OC,0.42500323066430623
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9480192817800718
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8551137645003918
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.8188905298147781
+CCC(OC)(C)C,0.06657906626042497
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9315785151344265
+CCSC(=O)Cl,0.44418772742968715
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.6343304678214576
+Clc1ccc(c(c1)N)O,0.5890912870149425
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.9224407727993912
+Nc1nc2c(s1)cccc2,0.6695979366995337
+O=NN1CC(=O)NC1=O,0.7563474158515363
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.6036117593841761
+CCCN(C(=O)N)N=O,0.8901425562390517
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.010659192009640812
+CC(=S)N,0.6196734863648343
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.016496605487054353
+OCCCN(N=O)CC,0.8495761182204572
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.927130711622403
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.5757585062649019
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.5282294375902941
+Clc1ccccc1C(F)(F)F,0.16572386841271097
+COCCOCCOCCOC,0.3283077064959045
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9469068990828582
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9828597035803749
+BrCCC(CCBr)(CO)CO,0.8412638425978509
+CC(Nc1nc(N)nc(n1)Cl)C,0.23242098109787163
+Nc1cccc(c1)c1ccccc1,0.586044448671913
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5361892241028197
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.6155712642478214
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.9235305012361026
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.818707644666054
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.15045614894606008
+NC(=O)c1ccccc1C(=O)N,0.3358059449430436
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.600178775943106
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.20251734543876687
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.37320415980932353
+C=Cc1cccnc1,0.22767247820222644
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6846356591044318
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9838750349728005
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.2331991575586475
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.7345002688444786
+CCCCc1cc(C)cc(c1O)CCCC,0.04401541866319395
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.1970165400816329
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.025144076600759912
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.15455337043453082
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8729437884825202
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.12990464692315742
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.5645803797624946
+O=C1CCC(N1C)c1cccnc1,0.1156863999110619
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8885997622495078
+CC(=O)Nc1ccc(cc1)O,0.34206982860452445
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.8489664299312372
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.8913174936777581
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.4367457869687395
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.29542182386936844
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9484291078155297
+O=c1[nH][nH]c2c1cccc2,0.2211976461335126
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.025263662266773703
+C[Si](O)(C)C,0.03442874758362632
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.2864957422910345
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.959350520885477
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.865447472501133
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.8986711130172675
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.735630169101703
+COc1ccc(cc1)CCC1OC1,0.8481916109692186
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.4819703160343702
+OCC(Cc1ccccc1)CN=N#N,0.9106675095205229
+CCOc1ccc(cc1)[N+](=O)[O-],0.7038588468168734
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.959024219955246
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.014321987748206456
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.6434414723045926
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.07242337161627772
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.8205605633487819
+CCCCNCC,0.08821908402736053
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.8581616764050842
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.9942132392115393
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.9095474480944058
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.1142323374452083
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.9354534259580893
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.02969950071834484
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6799246372467046
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.03015220572013157
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.8149854613712118
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.904522414776314
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.08203771234827482
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9645816234615665
+N1CCNCC1,0.09902260041400977
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.006149894937072047
+COc1cccc2c1C1(C)OOC1(O2)C,0.2998360180375758
+CC1(CO1)C(=O)N,0.7908385539211207
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.6322664469306332
+CSc1cc(SC)c(c(c1N)C)N,0.2049723631939078
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.34056931383375144
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.009690503372059367
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8915543660750371
+ClCC(Cl)(Cl)Cl,0.34284552560337406
+O=C1NS(=O)(=O)Cc2c1cccc2,0.1458901100324138
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9763262705245129
+CC(=O)CCl,0.856194076636037
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.06706869105240405
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.12330103117550319
+c1ccc2c(c1)cnnc2,0.5374959682371522
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.49322644821752487
+CCN(N=O)C=O,0.9212713536253009
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.055103268993248467
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.5309757399788351
+O=C([C@@H]1OC1)Nc1ccccc1,0.8332283450839375
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.961846071278093
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.1321490238083067
+COc1ccc(cc1)C[C@@H]1OC1,0.7391567524329866
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8200549810627478
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.6892194743467436
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8048497280950153
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8520380525376683
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9136221815540462
+Oc1cc(O)c2c(n1)cccc2,0.362099940645471
+OCNC(=O)NCO,0.10017372838394109
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8098715927851791
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.2403799838576917
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.41356625260948693
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.21723631566359156
+C[C@@]1(CO1)[C@H]1CO1,0.8439120789822727
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.7693281536330657
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.37978202019527296
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7830025572148069
+O=NN(CC(=O)C)C[C@H](O)C,0.8060063256791375
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.7850521369226173
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9867027517742801
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.05784964201706913
+Oc1cccc(c1)Nc1ccccc1,0.2692031885285031
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.047701187974419634
+NCC(=O)O.Cl,0.10224462511719157
+COc1c2oc(=O)ccc2cc2c1occ2,0.653942960247679
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.8948959473870711
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.972394718881581
+[O-][N+](=O)C(C(O)C)C,0.7128017535673341
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.3380988107348017
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.9381028651831668
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.16827413339543537
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.8210042346643426
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8126461564260297
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.42526790954290344
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.35354141260434596
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8353829562739135
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8440966698905468
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.8038907047808108
+C/C=C\C=C/C(=O)O,0.2865437672636616
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.12511628075782355
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.5215608223120861
+c1ccc2c(c1)scn2,0.47563045468963966
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.8250899148267291
+C([C@@H]1OC1)C[C@@H]1OC1,0.7669017760357064
+CCCC=O,0.21057501918915858
+OC1CC(C)(C)N(C(C1)(C)C)O,0.2545972054943149
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.010358108085935543
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.07868789169850221
+OC(=O)COc1ccc2c(c1)cccc2,0.17135902199612482
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8190021260973258
+Nc1ccccc1Cl,0.5387873790070327
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.0064468036203904735
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.14326899774084498
+CNC(=O)N(C(=O)C)O,0.46842868918825104
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7451672037650244
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7503047352141885
+OCNC(=O)c1ccc(cc1)Cl,0.11675948863316006
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5188608582383315
+NCCc1c[nH]c2c1cc(O)cc2,0.5900084559273667
+c1ccc(cc1)Nc1ccccc1,0.5800648010248917
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7031136516816695
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.4799936687850651
+COc1ccccc1C[C@H]1CO1,0.7351663524100326
+Nc1ccnc2c1cccc2,0.656852281838621
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.7263148567044916
+COc1cc(N)c(cc1N)OC,0.4956083251241178
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.3470618165177777
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.07495360996684507
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.7014439483523521
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.4824244262327771
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.10060773924484162
+NCCc1c[nH]c2c1cccc2.Cl,0.7670477985009454
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.47933094632301476
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.6033021635171053
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.904419213714278
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.8475145264174929
+C[C@H]1CO1,0.509309908607852
+Cl/C=C/CSCC(C(=O)O)N,0.8030532274559532
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9182271754888167
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8031968441757499
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.4128547835017846
+N#CCc1cn(c2c1cccc2)N=O,0.8787402013053206
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9544669154829357
+CN(c1nc(C)c(c(n1)O)C)C,0.03549124020468503
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.7409490761792047
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9907081621098267
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.9051153028293052
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.15317651659431683
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.05706385920400178
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8990175168738876
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.7347050273896384
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.15990299735104013
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.9124972877843531
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.1550159894202982
+CCCCCCCCCC=C,0.06685453389682432
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7656658421338777
+CCOC(=O)CC(=O)CCl,0.6804216242114881
+C=Cc1ccc(cc1)N,0.4199828148534752
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.8224163987424027
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.42554413018718895
+Nc1ccccc1SCSc1ccccc1N,0.5940993774422286
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.051250387599272744
+CCC/C=C(\C=O)/CC,0.269584943098505
+Oc1cccc(c1)Cl,0.15970311480611463
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.907963913103903
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.557883946700379
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.3907339329656205
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.8272753118984465
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.8268455478777118
+N#N=NCC(C(C(C(CO)O)O)O)O,0.922658787624683
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.010783320286402364
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.6991660774713931
+Cc1cc(C)c(c(c1N)C)N,0.6263254366729928
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.17357201628948737
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.12209812231611686
+OC(=O)c1cccc(c1)C(=O)O,0.11712662026698333
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.24068193696576734
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.13295860175755828
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.14284953562630862
+OCCCCCCCCCCCCCCCCCC(=O)O,0.03161707421346111
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4913448573646536
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9382180945264017
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.6966218051822993
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8907980263589981
+COc1nncc2c1cccc2,0.3079345822899823
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.04681332636003071
+OC(=O)CC[C@@H](C(=O)O)N,0.14395017965984552
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.21046519103484182
+CN1CCN(CC1)C,0.027708989723005548
+NNc1nncc2c1cccc2,0.8675883645305009
+OC(=O)c1cccc(c1Cl)Cl,0.12764556693953327
+ClCC(=C)Br,0.6592368394177873
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.42580820934660335
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6432997331058972
+CCOc1ccccc1N,0.5727995164207001
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.5977647294991509
+OC(=O)Cc1c[nH]c2c1cccc2,0.14804241457449804
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.16324257385332497
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.09798418082062423
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.8827261129701773
+Clc1nncc2c1cccn2,0.6470860211322788
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.5918051509142827
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.021485191773767256
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9172971497926036
+O=C([C@@H]1OC1)NCc1ccccc1,0.7606126847426595
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.33213618705307296
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8090724131740638
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.04832258485567471
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.13604710396365438
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.5538116976322425
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.013573678589773016
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.11784593208489148
+O(Cc1cccc2c1cccc2)CC1CO1,0.9596833020410747
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.30913703195647185
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.7136965632809081
+O=CCC(C)C,0.14301311604632855
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.7734344989079822
+OC1C=CC=CC1O,0.2383256370433471
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.14735075293117045
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.13535601406223638
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8222810770201802
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.0274856884737936
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7223372827184327
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.11735016283715831
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.045337442869643974
+NCCCN(CC)CC,0.14051132485566006
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.13423260636510104
+Nc1nnc(s1)S,0.7201988810676093
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9093891214542443
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08705761405609211
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.19006980185633338
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8425894740168102
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8380575198632304
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.7702645880798122
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7531975367246702
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8631979249455612
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.8796504000101691
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.2074474690348682
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.5638147051568134
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.8360325239531395
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9845352530955224
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9555944054837127
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9500493155634335
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.10290835408826862
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.052845181126507976
+Cc1cc(N)c(cc1N)C,0.5974807133755393
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.6307618393119868
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.7008885179540936
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.5710533358314205
+CCc1cc(cc(c1N)CC)c1ccccc1,0.5070111253612974
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.8805853476557922
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8702031980064261
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.1384889337487488
+OC(=O)/C=C/C=C/C(=O)O,0.30364408246023344
+OCc1cccc(c1)Oc1ccccc1,0.37626666675572545
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3389637184223028
+C1CC2=CC3C(C=C(C1)O2)O3,0.42182111839065356
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9323327900778455
+CCN(c1ccc(cc1)N)CC,0.7850941011861008
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.358313495044599
+O1C[C@@H]1Cc1ccccc1,0.5904650407835854
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6393649543622106
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8845122701242415
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.6706867057993551
+Fc1c(N)cc(c(c1Cl)F)Cl,0.548471170801293
+O=C1C=C(O)c2c(C1=O)cccc2,0.5770707047362632
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.9304880094771949
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.043602280663915916
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9021315813635215
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8473715360944384
+C=Cc1ccccn1,0.19432223760134432
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.6919166642037319
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.5890654972252028
+Clc1cnc2c(c1)cccc2,0.5750872794991688
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.5617662132014976
+[O-][N+](=O)c1c(N)cccc1O,0.6815735496214829
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9608986817858013
+OC(=O)/C=C/C(=O)O,0.09743941356821018
+[O-][N+](=O)c1ccc(c(c1)C)C,0.49588924526119266
+ClC1=C(Cl)C(=O)OC1,0.8217826903549186
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.06004928979290636
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.13297806704588305
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.14839728368113586
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.7568994836137097
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.09656545371598464
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8248683479429649
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.5218066758941668
+CC[C@H](N)C,0.11626786278923922
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.8213849102281336
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.5957427978283363
+COc1ccc(cc1)N.Cl,0.4295991257760985
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.9286822643427194
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2653870244610682
+Clc1ccc2c(c1)nc([nH]2)C,0.4353459833992444
+OC1C(O)C=Cc2c1cccn2,0.22952660995973823
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.7927725583549039
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.015831285220406745
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.13881991532099328
+CC(CC(O)C)C,0.043775946993705746
+OCCn1c(CO)ncc1[N+](=O)[O-],0.5954379772936031
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.01952702960417686
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.08527652225219019
+O=C1C=CC(=[N+]=[N-])C=C1,0.7770273937773664
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.855780545523275
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.06129176398745267
+c1ccc2c(c1)Sc1c(N2)cccc1,0.8506864733228587
+Cc1cccc(c1O)C,0.17258975681343394
+C=CCOC(=O)c1ccccc1N,0.3279705112447647
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.7808798983993585
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.6696312514519741
+O=Nc1ccc(cc1)C(=O)C,0.8138946381085508
+CN(CC(=O)O)C.Cl,0.04966530397190256
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6570938738895199
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.3070025362137871
+CCOC(=O)C[n+]1csc2c1cccc2,0.34423550634771766
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.19711582276718195
+O=C/C=C/c1ccco1,0.4760959022921619
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.07565753324125457
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.0675772945349105
+Fc1ccc2c(c1)c1ncccc1cc2,0.8343690279629085
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9752039164928061
+O=C1C(=O)c2c3c1cccc3ccc2,0.5094218569499113
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.966587588062379
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.32240633668150825
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.1507866663110616
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9753646724297855
+CN(/C=N/c1ccc(cc1C)Cl)C,0.6816316644885976
+O=C/C=C\c1ccccc1OC,0.4705133101214794
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.7860878633309597
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.25055880665121305
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.3919752647085053
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.09824759607400743
+CCCCCCCCCCCCCCCCCC(=O)N,0.05621600765762382
+OC(=O)c1cc2ccccc2cc1O,0.3801563867354433
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.7540048477772912
+ClCC(CCl)(CCl)CCl,0.31003380393159335
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.041453693817688306
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.14602304429345006
+O=C/C=C/c1ccccc1Cl,0.7264517134363297
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.27874191195505543
+Cc1ccccc1N,0.5267416602018643
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.010654062945449431
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.06652489340937551
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6588197459927613
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.979735406724539
+O=NN(Cc1ccc(cc1)Cl)C,0.9020376929909444
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.17484032949525657
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.2880857834702629
+CCN=[N+](C)[O-],0.5979935364425247
+CCOS(=O)(=O)C,0.6187897378960127
+NCCC(N)C,0.22496780627772844
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.06653221178940824
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5106331160779618
+C=CC(=O)OCCCCCCOC(=O)C=C,0.25737815212889664
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.4089523777675155
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7199579198042422
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.9320267675137464
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.7673221940965834
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.4010401877150666
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6568765555402466
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.1283858777549744
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9599782383183092
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.0911587111743092
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.3127537998263278
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.863471695287514
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5188608582383315
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.33166118836446523
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9077512447657611
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.25105262417028834
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9522858481887637
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5829711118313026
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8657876777416798
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.00992992015841981
+CN1CCNCC1,0.07436751352576626
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.18611060603015314
+C1CCC2C(C1)c1ccccc1CC2,0.3037826959555212
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.0860931344607032
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9592739980989338
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.7986192407808921
+O=S1(=O)OCCCO1,0.6772432681885794
+NC(=O)CN1C[C@@H](CC1=O)O,0.4760926265145599
+COC(=O)Nc1nc2c([nH]1)cccc2,0.1170689369979634
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8415447629477253
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.10877817713174891
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8107374935002122
+CC(CN(CC(C)C)N)C,0.5280034597142222
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9490012141994184
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.705395448557776
+Clc1ccc(cn1)Cl,0.10282608774309852
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9168315693003037
+Fc1cccnc1,0.12206210089357511
+COc1cc(N)ccc1NC(=O)C,0.6192199343176247
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.10476112545780751
+OC(=O)CBr,0.6786555400811546
+O=S1(=O)CC=CC1,0.5795677379340821
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8473263931222517
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.7093522695972995
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.14955943811666766
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.21702434763820122
+NC(C(=O)OC(C)(C)C)CN=N#N,0.8076523243151585
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.15455337043453082
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.3400497526311557
+CC(C(CCl)Br)Br,0.706660583582617
+CCCC(=C)C=O,0.2078260101223302
+O=Nc1ccccc1C,0.7894026674398963
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.371028930853817
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.35213036832062033
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.11680646883833497
+Oc1cc(Cl)cc(c1)Cl,0.03829040028301485
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.1380006483444514
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.13012963070795044
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.6041049987851523
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.17398907873460892
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.8966047717296105
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.4571205329921927
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.15115766046344833
+C/C=C/C1OC(=O)C=CC1O,0.21021845104653852
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.804560948070032
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.2249830357123122
+O=c1oc2c([nH]1)cccc2,0.19934083719221746
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.5980502142554427
+Oc1ccccc1c1ccccc1O,0.24109556148235672
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.1385799507193085
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.04862975719015654
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.6715402142645289
+OCCOC(=O)C=C,0.5386825546828431
+OCCCc1ccccc1,0.2601674703229485
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.23871093977351532
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.04056484960301282
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.32329094812920656
+CC(=O)[C@H](O)C,0.3663970224430908
+NNc1ccc(cc1)C(=O)O,0.5271411266036755
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7519921518292623
+CC(=O)NO,0.3459497217614507
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.8933468792488926
+OCC1CCCO1,0.23817529462700945
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.06068661499205309
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9247418740128915
+O=C1C=C(N)c2c(C1=O)cccc2,0.8569645254354481
+CC(=N)S,0.5262020886256593
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.03568461295958281
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.6132555726668085
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.13089575451360266
+COC(=O)C1=C(CC)C(OC1=O)C,0.12406402782841325
+ClCC1=C(Br)C(=O)OC1,0.8381052644902285
+NNc1nncc2c1ccnc2,0.9503508438651573
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9103280279204027
+O=C1OCC1(C)C,0.4373123559875173
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.8445975541702905
+Nc1ccc(c(c1Cl)Cl)Cl,0.6382807152712304
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.15132898752867222
+CC1CCCO1,0.10632617118378597
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.03449080877997846
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.2958034584216745
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.019814963114475125
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.12748194622385642
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.3523139869173374
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9784689205738387
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.48790754597436825
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.05449339356476836
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.8383109235661479
+[O-][N+](=O)c1ccc(c(c1)C)N,0.8719742050775204
+C/C=C\c1ccc(c(c1)OC)O,0.4151836205816209
+Clc1ccccc1,0.11452692010058317
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.5283678542699778
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.35649898389221135
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.49148098981147065
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.36185372536010896
+CC(=O)O,0.1336229469495595
+Cc1ccc(c(c1)O)C,0.12267772572743393
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9203744161242022
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.8786435268220036
+CCOc1nc(ns1)C(=O)O,0.36927191736203085
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.0855027639153899
+CC(=O)Nc1cccc(c1)C,0.14664727411255937
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.5446590537408553
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.1148145085667428
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9705314536496921
+BrCC(=O)NCc1ccccc1,0.7102754292816396
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.9167340865835212
+O=C(OC(C)(C)C)CN=N#N,0.898956366101488
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.762196840900267
+BrCCCCCCCC(=O)O,0.28561646051324086
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.1624224415735238
+N#CCc1ccc(cc1)Cl,0.2047334579792709
+CCN(N=O)CC,0.8095436225739046
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9049030959127272
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.1113135984515575
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7174370776226203
+O=S1CCOC(=C1C(=O)N)C,0.37000898430199153
+[O-]P(=O)(OC)O,0.20850042348075445
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9114383156649988
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8626622474162
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.09451790541610064
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.3251579457889798
+NC(C(=O)NCC(=O)O)CS,0.5831934331170043
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.41356625260948693
+Clc1ccc(cc1)Br,0.06002345259467221
+CCN(c1ccccc1)N=O,0.8522168349829778
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.959639734615421
+O=C(c1ccccc1N)OCCc1ccccc1,0.19816805433468046
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.2823846166121619
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.795738072697717
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8927194048272629
+OC1C=CC2C(C1O)O2,0.7650923007668793
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.6263441605002944
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5001918128182677
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.86923127709068
+C=CCN(CC=C)N=O,0.5189088109051695
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.8771992011366914
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.2243310346964192
+Oc1c(O)cccc1O,0.258958673253251
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.49346739627655845
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.020486605219480317
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.41188320370694415
+N[C@@H]1CCC[C@H](C1)N,0.19828779317684747
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.2677832403816877
+Nc1cccc2c1cc1ccccc1c2,0.9502712435962875
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.14328328746192498
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.37311304335818474
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.09699420725735342
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5882431196741251
+[O-][N+](=O)c1ccccc1C,0.6336422015120893
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.18001455816275705
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.40823724417380197
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.07140275013496891
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.970895284411602
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.1566303635687533
+Cn1nc(c(c1)C(=O)O)C(F)F,0.2505333152932911
+ClCc1cccnc1,0.7474384820789176
+O=c1nc[nH]c(=O)[nH]1,0.0781618281423555
+OC(=O)C(F)(F)F,0.2583109750229198
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8272094784880459
+COc1c2cc3OCOc3cc2nc2c1cco2,0.8201173128832383
+Nc1ccc2c(c1)cccc2,0.7900371229283742
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7141327491204146
+CNC(=O)ONC(=O)NC,0.3520370739241037
+c1ccc2c(c1)nccn2,0.560783828003179
+[O-][N+](=O)c1cccc(c1O)N,0.8386358819256589
+CC(=O)N(c1ccccc1C)O,0.4647317519680621
+O=C(Nc1ccccc1)CC(=O)C,0.11793872314729942
+ClC(=O)c1ccccc1Cl,0.25784491205163085
+Nc1ccccc1S,0.6455853858140889
+N#CCCC#N,0.1970628134315295
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.127695025889173
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.891395860943516
+Nc1c2ccccc2nc2c1cccc2,0.8526773702520356
+[S-]C(=S)NC.[Na+],0.7017086541397581
+C1CCO1,0.21159106523868285
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.537265852073767
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.25501582251720023
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.22190010105424357
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.5451518751813658
+Oc1nsc2c1cccc2,0.4945466725949075
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9328206673927278
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.563805582122262
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.3472517258141043
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.03253802553624393
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9541020057253763
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.016317023721502573
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8815391180110358
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8554692260095643
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.08683168977249675
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.3388259013433519
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.28986207427289573
+COP(=S)(OC)OC,0.3037518099949447
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.0479761753780649
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.0063144587273284095
+CC(=O)NNc1ccccc1,0.25080607393334575
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.06934898837554176
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6558410965374433
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.24745867054163195
+c1cccs1,0.10881637811199048
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.8549923768581122
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.923573862453437
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.7402951609537202
+CCCON=O,0.8349387763917889
+Cc1ccc2c(c1C)cccc2,0.5053681217350373
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.7024762125024167
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.6502101931439084
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.9226273245918021
+ONc1ccc(c(c1)Cl)Cl,0.48055884320550396
+C1CCCCNC1,0.07663491959822559
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.926014157515483
+Fc1ccccc1,0.10515845470280372
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.06666444564141769
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.018013345804038683
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.08935735752616825
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0633287658239907
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.06283381950423708
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.7803873042578668
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.17184623685825454
+Nc1cccc2c1nc1CCCCc1c2,0.7527078730816547
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8938256091916079
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9816493871659658
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.3873645268530778
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.5127117164983094
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.886611225378669
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8872284072605664
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6484123047161915
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.6847836574957131
+[O-][N+](=O)c1ccccc1C(=O)N,0.8316335023206521
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.3442727454317448
+ClCC=C,0.7662143997975316
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.959421342328856
+CN(CC[C@@H](N(C)C)C)C,0.3231016729234558
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.6261860789131262
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9785359174882822
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.11371298994940833
+Cc1ccccn1,0.12332649741920917
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.45392885100353386
+Clc1ccc(c(c1)Cl)Cl,0.08187687545029852
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.43870907411053095
+Cc1c(N)ccc(c1C)N,0.581086621746992
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.6743363554999237
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8759839504438459
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.8198506197128016
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9475671876352882
+CCCCCC(=O)OCC,0.1353236082544376
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.027997390098036524
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9505929818610777
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7161383106483977
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.038013002872169105
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.026328215425062224
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.3327639635755157
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8418634354701978
+CCOC(=O)C(CS)N,0.3819341858370798
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.9091604720231578
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.8501389612625986
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.6119118885729076
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5091947024075654
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6244527805073543
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.5942952088879571
+ClC(=O)c1ccccc1,0.3424111437463721
+CCCC[C@H](COCCC#N)CC,0.07347726759401027
+Oc1ccc(cc1)Cc1ccccc1O,0.13712109946425807
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8422268092337772
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.010500554735526257
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.9563308707511335
+Clc1cccc(c1)[N+](=O)[O-],0.6918105202167941
+CCCCCc1cc(O)cc(c1)O,0.08897352540152918
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.2622005525649926
+Cc1c(C)ccc(c1C)C,0.03903534317952664
+[O-][N+](=O)[C@@H](CC)Cl,0.9323421987124371
+NNc1ccc(cc1)[N+](=O)[O-],0.9262185996369019
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.33104189335570133
+OC[C@@H]1SCCN1N=O,0.9872248471173803
+CC1(OC1)c1ccccc1,0.5494350465291522
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.4077871773546187
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.04010253409882742
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8102346681247007
+CC(C(=O)N)Br,0.7987332112750574
+O=Nc1n(C)cnc1c1ccccc1,0.7734923444375106
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.401926603781153
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.27944714170588913
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.05618500555160487
+OCC(C(C(C(C(=O)O)O)O)O)O,0.1122855069214145
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9617010255992353
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8160712449719346
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.8452422435746364
+Cl[C@@H](C=C)CCl,0.7909711872249134
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.10322687435707603
+CCCCCCCC[C@H]1CO1,0.5440255146328273
+Sc1nc2c(s1)cccc2,0.3905012173320876
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.3116461689741883
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.3589248359875834
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.30028498515381513
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8673951942674876
+BrCCOC(=O)C(=O)OCCBr,0.7977894489678817
+Clc1ccccc1Cl,0.14974183784600997
+Nc1cccc2c1c(O)nnc2O,0.622105928277068
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.8978479265192886
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.7021788298924445
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9589750208208929
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.41671348208155407
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8361142909251006
+O=C1CCCCCCCCCCCCCCO1,0.0941488138004162
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9406502432409405
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9479712070910298
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.04957800129100184
+C/C=C/CC#N,0.1654848300606817
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.3001196685797444
+Cc1nc2c(s1)cccc2,0.456185723291237
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9563229621760174
+BrCC(c1ccccc1)Br,0.6084700971518193
+C=Cc1ccccc1Cl,0.18307645172619127
+Cc1cncc(n1)C,0.17272950372820453
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.20992383111722718
+CCOc1ccc(cc1)NC(=O)N,0.6156155693899606
+ClC(=C)C=O,0.717829114257822
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.07092906520874034
+CCCC[N+](=O)[O-],0.30278903065176216
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.5461889333992198
+Nc1ccc(cc1)N,0.5322257006020075
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.034971426380663063
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.17238692280973728
+ClCCSCc1ccccc1,0.6943536464536466
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9239589187758276
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9227343234338935
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.019084171611642685
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.5407852134390354
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.8453428941315849
+NC(=S)NNC(=S)N,0.8103700777961775
+OC(=O)Cc1cccc2c1cccc2,0.1371472905469804
+CC(COC(=O)C(=C)C#N)C,0.06770011300164946
+CC([N+](=O)[O-])(Cl)C,0.6619223056452335
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.6475276946625264
+OCCN(C(=O)OCC)N=O,0.827109547311199
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8089772680843175
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.8420115351918498
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8898651825978215
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9679754970037237
+CCC(=O)Nc1snc2c1cc(C)cc2,0.2863135999538751
+CCCCCCCCn1sccc1=O,0.4573122813275892
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.8649302139909035
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.6780038671630201
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7340971530768234
+COC(=O)COc1ccc(cc1Cl)Cl,0.21175896762705188
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.13969225636285218
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8999607460129228
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.38889889820401985
+CC(Nc1snc2c1cccc2)C,0.6231180238140526
+ONc1nc(N)nc2c1[nH]cn2,0.6353691375413436
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.898380158250111
+C1CCC2(CO1)CO2,0.33277873950622106
+O=C1c2ccccc2-c2c1cccc2,0.4330732855869039
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.07455925939306285
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.11907269761611379
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.10742921255789223
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.3112762597670601
+CCCCOC(=O)c1ccc(cc1)O,0.10130796452454205
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.42486532663314264
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.9360108461399118
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.022083799248723345
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.28794210525934416
+ClC[C@@H](CBr)Cl,0.8442448199873073
+Clc1c(Cl)cccc1Cl,0.12652805335375394
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7614481850940616
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.08679045796879693
+FC(OC(C(Cl)F)(F)F)F,0.497099804103656
+OC(=O)c1c(Cl)cccc1Cl,0.08438050460442534
+C/C=C/c1cc(OC)c(cc1OC)OC,0.4413420245843419
+Oc1ccc(cc1N)S(=O)(=O)C,0.37278821140410867
+CCC(CC(CC(Cl)C)Cl)Cl,0.35727887748941595
+O/N=C/C(=O)Nc1ccccc1,0.44786518942955267
+O=S1(=O)CCCO1,0.440819437159401
+O=C1NCC(=O)N1,0.3825103783158335
+CCCC(=O)C,0.12730789103678963
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.3033900984548052
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8520013466048663
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9718419936811513
+CCOS(=O)(=O)OCC,0.35884345185885685
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6187178559910693
+N[C@@H]1CC[C@H](CC1)N,0.21835924145587182
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.45779443904606715
+Oc1cc2ccccc2c(c1)O,0.3588909348477023
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.5020232795584414
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.28842248471498494
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.3646266630577056
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.2029263398987217
+O1C(C1c1ccccc1)c1ccccc1,0.43199449903502335
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.8992663619217159
+O=C(C(Br)(C)C)Nc1ccccc1,0.19516874765697462
+COC(=O)C(=C)C,0.30167735589389455
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.6206506830623957
+COc1ccc2c(c1)sc(n2)N,0.8633572519400589
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9208267032415093
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.98705807502895
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.934734118470986
+CN(N)C,0.2811375326727823
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.760248847286167
+CC(O)(C)C,0.030956184127928124
+BrCc1ccccc1[N+](=O)[O-],0.9016225650910269
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.3391312840561405
+BrC/C=C\CBr,0.9101560560028632
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.7530636348251372
+[O-][N+](=O)c1ccccc1O,0.5913269919880073
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9097268708026305
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.90810103308872
+[O-][n+]1c2ccccc2nc2c1cccc2,0.7109190355677437
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09125124831542675
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.5378913640667493
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5296331890121887
+CCc1cnccn1,0.15225513307072688
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.5989922283672544
+OCC=O,0.8367587656899973
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.40843680979046054
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.3919628380120387
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9765708152523027
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.7963073177751275
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.5960418313121025
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.8338528708724899
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.6604469498081811
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9093304285011398
+Nc1cnc2c(c1)nc1n2cccc1,0.7740842827268738
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.1865413370361581
+CC(=O)OCc1ccco1,0.10378482164892985
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.5002669484352654
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9292352519265987
+CN=NO,0.7422202272903154
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.07451048380257201
+c1ccc(cc1)c1ccccc1,0.5366632983206321
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8342830881995088
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8452686526339647
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.7820924351548972
+CC(CN(CC(C)C)CC(C)C)C,0.09524546669039896
+CCCC[C@H](COCCCN)CC,0.07950244127530111
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.09379866281555138
+C=COC(=O)C=C,0.3627924179600427
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7545922198693353
+O=NN(C)C,0.9316276785816756
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.3253779107643006
+CC(=O)C(Cl)(Cl)Cl,0.45851167956974453
+Cc1cc(ccc1N)c1ccccc1C,0.7643649188965345
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.529785959161849
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.5541080366382054
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.12113260460132788
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.5953676422951161
+CC(c1ccccc1)CN=N#N,0.9148382218887284
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.9354217123202779
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.12445498731503378
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.4215805566014639
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.8575153835117448
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.12866801776487488
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.18929508804123288
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1607054168928153
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.6522725833256018
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.8223761104542104
+CCCCCCCCOC(=O)C(=C)C,0.09471890420948538
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9782480347838377
+CCCCCO,0.04426410775781769
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.7303487037944147
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.01853656276501459
+N#N=Nc1nc2c([nH]1)cccc2,0.963667163571889
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.03525518264680266
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.5246159201216943
+OC(=O)CN(CC(=O)O)CC(=O)O,0.12135620775524986
+O=NN1CCC=CC1,0.8208990494113165
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.775818551067959
+Cc1cccc(c1)[N+](=O)[O-],0.7605468200510651
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.852506360997136
+ONc1ccc(cc1)/N=N/c1ccccc1,0.8365098028274439
+NC(=O)/N=N/C(=O)N,0.7650838812551324
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.7328034064963138
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.7074564305843841
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.23841501104258067
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.947363438595681
+Nc1ccc(cc1C)S(=O)(=O)O,0.19592600500701868
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.47665738489140785
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.8159018818693825
+CN[C@@H]([C@H](c1ccccc1)O)C,0.13808011797846637
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.38812237995958276
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.5415719292403213
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9507627244215957
+OC[C@H]([C@H](CO)O)O,0.11655642319846576
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.5083989597747197
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.8246116330320679
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.954550665105833
+Cc1nsc(c1)N,0.4443242905408976
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5720465473654687
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.7481518332133792
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.14994749080597622
+ONc1cc[n+](c2c1cccc2)[O-],0.7970289428948518
+CCOc1cccc2c1nccc2,0.44794067182666997
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.0041332213994150725
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8209195454388787
+FC(C(F)(F)F)(Cl)F,0.006508427501477715
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.148528946404768
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9833823696923385
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.033467968659650536
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8430742873462894
+ONc1ccccc1c1ccccc1,0.6540250331482818
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9362779243369073
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.11328762629907067
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.08264854707690457
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.4532717669640852
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5884056580352786
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.39063555665773075
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.13428976388955716
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.138244693561586
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.026393557075456757
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.4561474306119968
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.8714162205832464
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.8161933998450016
+O=C1NS(=O)(=O)c2c1scc2,0.10213910145487831
+Cc1ccc2c(c1)cccn2,0.3265076440529328
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.8312783968418164
+Oc1ccccc1c1ccccc1,0.22579660112455857
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.2663616651815545
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.6076219290270569
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.1170247817812958
+CCCCC=O,0.19066396546458916
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.948035482144277
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7980137798571756
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.970045436408635
+Nc1ccc2c(n1)no[n+]2[O-],0.8002497782477604
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.08701901109977322
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.11206167653727293
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.09972560817428633
+OCC(C)C,0.06416064571667562
+CC(C(=O)Nc1ccccc1)Br,0.7335542440548892
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.8361889905305698
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.7141430761251654
+[O-][N+](=O)c1ccc2c(c1)csn2,0.8997322581001815
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.01024123375800908
+COc1ccc(c(c1)OC)N.Cl,0.4196005765764123
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.4350260393536688
+Nc1ncnc2c1nc[nH]2,0.509501368994647
+OC(=O)c1ccccc1C(=O)O,0.13012301038782403
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8110970526783049
+CCCCOc1ccc(cc1)CC(=O)NO,0.3491665533954266
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.9226075846018644
+COc1ccc(cc1N)[N+](=O)[O-],0.9540650882140326
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.8008952446766976
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.7601039274732059
+c1ccc2-c3ncsc3CCc2n1,0.6611290103776525
+O=CNc1ccccc1,0.4301463343153113
+OCCN(CCO)CCO,0.23288225393486525
+CC(C(=O)Nc1ccccc1)C,0.2777486073158045
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.30525889515164106
+CC1CCCC1,0.0437016087898066
+C[C@H](CBr)O,0.8348467838401452
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.16151649775570565
+OCCN(c1ccc2c(c1)cccc2)CCO,0.7127742729563716
+CC(OOC(C)(C)C)(C)C,0.21864675114299112
+C1CCCC2C(CC1)O2,0.25282495068472916
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.41834792139404126
+N#Cc1ccccc1[N+](=O)[O-],0.7192114887739026
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.8249283249101694
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.6315596946706624
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.6633630388231349
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.8940691347430271
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.943801334710152
+CC[C@H](OS(=O)(=O)C)C,0.3331952351286578
+CCCCCCOC(=O)C=C,0.12273446814065693
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.4481285547756062
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.0965042052143262
+CCOC(=O)[C@@H](O)C,0.2557915762276643
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.9261091836341179
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.9752976111756753
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.5525179407257808
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.07109523595672183
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.03375463874140042
+NCCCl,0.9305103214975315
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.8173734000066306
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5564967706600601
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.17435423337621672
+OC(=O)C(Oc1cccc2c1cccc2)C,0.3148325649847386
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.08193572206474904
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.15967763487408454
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.668097128509665
+OC(=O)C(CCS(=O)(=N)C)N,0.06333142952584286
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.3970326053175255
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.12098028838252094
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.08911084828760091
+CCC([N+](=O)[O-])CC,0.36971624939421405
+CCN(/C(=N/O)/C=O)N=O,0.8588852602323053
+CN(N=Nc1ccccc1)C,0.7265110559388545
+NC(=N)NC#N,0.5374048360664453
+OCc1c(CO)cnc(c1O)C,0.07852917413848666
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8949663136205279
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.598954232033347
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.6053826884192258
+COC(=O)C(Cl)Cl,0.8966792971568678
+CC(Br)(C)C,0.012450489297337709
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.9651635273769138
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.1840946215402008
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.8030768187795136
+CCCCCC/C=C\CCCCCCOC(=O)C,0.12320395586004294
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.13783028666282598
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9173241892254262
+CC(=O)Nc1snc2c1cccc2,0.4373904252447941
+Cc1ccccc1,0.16369762654349343
+CC(COC(=O)Cc1ccccc1)C,0.06027638589012926
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.6430732478347897
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.34160529748413654
+Fc1ccccc1c1ccccc1,0.23171340096613866
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.43898256906174654
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.8526966912526998
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.4458804582023113
+Clc1ccc(c(c1Cl)O)Cl,0.07291926056887645
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.913517530132174
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.956810227655133
+CCCC[C@H](COC[C@H]1CO1)CC,0.7021243605185319
+Cc1ccc2c(n1)cccc2,0.2916422043729755
+Nc1nc2c(n1C)ccc1c2nccc1,0.9249982899828809
+CCCCOCC=O,0.4245679855988909
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.05380335860445282
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.56924827311701
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.04455221574513895
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5292380510113719
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.5675061800405884
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.938157116186932
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8775082697911956
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.36507715325599155
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.13075532868677878
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.0717311799648832
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.9906967125968261
+Clc1cccc(c1)C(F)(F)F,0.11439270513217788
+CCOC(=O)c1cccc2c1nccc2,0.4358884201136351
+O=C/C(=C\c1ccccc1)/C,0.5143559503842595
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.926842170396676
+ClCCOC(=O)C=C,0.8286286219935918
+OCCN(C)C,0.04056518783131902
+N/N=c/1\sc2c(n1C)cccc2,0.7042004410888822
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6338411000909364
+NCC1(C)CC(N)CC(C1)(C)C,0.11693275381235102
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7776166872490659
+O=Cc1ccccc1,0.338265990540435
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.20849243525694447
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5225465146583853
+BrCC(CBr)Br,0.6133299416142323
+Fc1cccc2c1cccn2,0.3751526106935941
+CCCCCCCCCCCCN(N=O)C,0.6541235033921813
+O1CCN(CC1)SSN1CCOCC1,0.5289055430644738
+O=NN(C(C(=O)C)OC(=O)C)C,0.9370754751783853
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.8444449812311395
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.09581668718037231
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.3628104918170583
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9566276821103499
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.02697133366241798
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.8410769459593145
+C/C=N/N(C=O)C,0.8452898869049165
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.40038323380335855
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9145417347603597
+OC(=O)CN=N#N,0.8354344711458309
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7786706896145981
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.05994582058057729
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9437282225557907
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9381471418780613
+OC(=O)c1ccc(c(c1)N)C,0.2469485544463525
+CCOc1ccc(cc1)N(C(=O)C)O,0.7031984309270726
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.8275501225572852
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.759505862981468
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6027168959521346
+c1ccc(cc1)CN1CCN=N1,0.6920835572606544
+CCCCN,0.05358116559354499
+CCN(C(=N)N[N+](=O)[O-])N=O,0.8779540260842882
+Cc1c(C)cccc1O,0.15240291698191008
+OC(=O)c1ccccc1O,0.06452279075858999
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.023670517282939053
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.3867274944113886
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.03744290371240115
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.5028673309873973
+Nc1ccc2c(c1)c1ccccc1cc2,0.950647092230411
+n1ccc(cc1)c1ccccn1,0.5317423298521169
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.1215166936240904
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.6645441748761464
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3164591664599892
+CC(CCCCCCCOC(=O)C(=C)C)C,0.06667919540558485
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.2796157186427842
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.3294858988380218
+NCCS,0.5641187601583557
+C[C@@H](c1ccccc1)Br,0.3934946286453282
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.34767203490342685
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9543960518261648
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.9200945432303556
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.9016741587717427
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5725701340600788
+O=NN(C(=O)O/N=C(\SC)/C)C,0.9235375087195283
+CC(=O)Nc1ccc(c(c1)N)C,0.6042483012555864
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.509037197689165
+OC(=O)CCCC(=O)O,0.11461961655632345
+O=c1[nH]cnc2c1cccc2,0.18753941512740607
+N#Cc1ccccc1C#N,0.19569050186006465
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.22333516995827024
+Cc1ccc(cc1)C,0.07475749956772107
+CCSCC[C@@H](C(=O)O)N,0.3941443615969394
+Cc1ccc2c(c1C)c1ccccc1cc2,0.8328751249907848
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.0838970315113357
+C/C=C/c1ccc2c(c1)OCO2,0.6032207416701144
+OC(c1ccccc1)CN=N#N,0.9070745609811381
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9589116465039617
+CC(CNCC(C)C)C,0.16898055056930242
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9718815093078724
+Brc1cccc(c1)[N+](=O)[O-],0.5288342913900468
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.06903728451947003
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9030512878332986
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.06471316152148204
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9563839612917797
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6314003238760046
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.11693744852251745
+c1cc(OCC2CO2)c2c(c1)cns2,0.9249291143780657
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.2121828748804155
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9106033036598141
+CC(=O)c1ccco1,0.33982380069742657
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3129907837999308
+OC(=S)c1ccccc1,0.2585023357128343
+C[C@H]([C@@H](CCl)Br)Br,0.7804588926959392
+Clc1ccc(cc1)CC[C@@H]1OC1,0.8611450174937852
+Clc1cccc(c1)NC(=O)N(C)C,0.28794232467898456
+O=NN(Cc1ccc(cc1)F)C,0.8813534113806296
+BrCC(=O)c1ccccc1,0.6661654144158535
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.7730495489777272
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9808588087255437
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.4775496296539978
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.8373466702687079
+NC(=O)NNC(=O)N,0.6633835115010676
+OCc1nc(N)nc(c1)C1CC1,0.4896620949132348
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9331169738727162
+O=NN1C[C@H](C)C(=O)NC1=O,0.6657201493762543
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.09614434144599585
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.8627188981846778
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.7720252491447767
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.8693693904466812
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9290190470427103
+CC(Br)C,0.13332148125894952
+CCOP(=O)(OCC)OCC,0.10191602408762666
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6718105220613881
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.7497843467924103
+O[C@@H]1COC(=C(C1=O)O)C,0.09762146324301764
+Nc1ccccc1O,0.29186801998656775
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.04001260664702877
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7355506857070043
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9265569128084317
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9911517466997223
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.44810127865828514
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.08669262472772013
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.7642680312506914
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.8307622212430816
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.6920330355326308
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9218837304443789
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.8812322083817761
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8830927201096364
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.023263595810334787
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.6734390610117852
+O=Cc1cccc(c1)Cl,0.4784359972665567
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.206323053584221
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.5564376234087439
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.5518748686152606
+N#Cc1c(Cl)cccc1Cl,0.22524888826262032
+OC(=O)C[N+](C)(C)C,0.021170126828360936
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.56924827311701
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.15909891362711234
+Cc1ccncc1,0.17652347571507077
+COP(=O)(NC(=O)C)SC,0.6442726619941173
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.5426903280762201
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9784280405441306
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.722583260548588
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.815842274139993
+OCCN(N=O)CCO,0.8464479740632028
+CCCN=NC(OO)(C)C,0.7736291384560864
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.18036967237311907
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09641428909007622
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.7635631967525974
+Cc1ccccc1OC[C@H]1CO1,0.888759091684291
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6993759655858207
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.06297864077846194
+OCC(C(CO)O)O,0.11655642319846576
+BrCCCBr,0.5815455560704764
+C1OC(=O)C=C1,0.4240009232060162
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.16340193044634913
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.27977989587211205
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.5426278062089513
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.6650827504128037
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.17837418219041046
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.153308601793249
+NNc1scc(n1)c1ccc(cc1)N,0.9553776181659508
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9414684723138873
+COc1cccc2c1nc1occc1c2OC,0.5301982325203259
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.1581711560587589
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8831632829360123
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.31010987782295296
+C=CC=C,0.2216703751733798
+OC(=O)Cc1ccc(cc1)Cl,0.07594475687283035
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9783174410751596
+Clc1cccc2c1oc1c2cccc1,0.5152094203413009
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.10460673286888539
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9625800761356527
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.40026043541806366
+O=C/C(=C/c1ccccc1)/Br,0.5529602231710476
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.020970083099303125
+COC(=O)N,0.4288007286313586
+OC/C=C(/CCC=C(C)C)\C,0.13936608403210834
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.0798650663904928
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.10126746830799867
+Fc1cc2cccnc2c2c1nccc2,0.6415942643643833
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5309417409885432
+OC/C=C/c1ccccc1,0.5626857130600018
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.05306245264460696
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7955032040491377
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.7074680183394536
+O=Cc1ccc(cc1Cl)Cl,0.3755825362569331
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.5888494729427781
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9533198620969162
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1525731210733574
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.975736593077926
+CCOc1ccc2c(c1)sc(n2)N,0.8280980401957706
+C1CCNC(=O)N1N=O,0.848149181918197
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.03819079201321645
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.6179748261382738
+OCc1c2ccccc2c(c2c1cccc2)C,0.8204229936247174
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.1431234286511101
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.7706857022462628
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.2692483659002856
+O=Cc1ccc(cc1)O,0.3404473239936208
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.09135807927675847
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.7734667327685015
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.10246456282315064
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.9157639397036892
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.5512379825962217
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.041223344531880424
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.17199801713109725
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.011941382637502997
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.09584199953122709
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8207406499438658
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.16129885486583315
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8371521337723422
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.5773661339566469
+BrCC1=C(Cl)C(=O)OC1,0.9014829919223548
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.4972792894182106
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.7592725762609147
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.08030908294359988
+O=CN(C(=O)N(C)C)C,0.7042387843823587
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9597754858425113
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.4192901246946413
+OC(=O)[C@H](Br)Cl,0.8877196694466808
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9058770125851769
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.4588364367733665
+C=Cc1ccc(cc1)[N+](=O)[O-],0.619851365191213
+CCCC(=O)OCC,0.1661497654571702
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9773478303812232
+ON(c1ccc(cc1)Cl)C(=O)C,0.4562122719229936
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9749556419457285
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.6017351026676618
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.24432719311536266
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9231378354614755
+Clc1cc(Cl)nc(n1)N,0.3783233842132574
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.8785321726485075
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6386620754922976
+O=C1C=CC(=O)c2c1cccc2,0.3247385615244277
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6845511346547898
+CCC(C(=O)NC(=O)N)(CC)Br,0.47330856623791423
+[O-][N+](=O)CCC,0.5111768135965238
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9177773891309413
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.3223033735813536
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.6845817037057604
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.981739951293671
+ClC(=O)OCc1ccccc1,0.29818421165720643
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9305956062060163
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6813927165378145
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.08807096484845969
+OC(=O)c1ccccc1Cl,0.06794181830950777
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.28149386933015036
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.48733168977557156
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.6537317910579015
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.878598336726987
+ClCc1ccc(cc1)C,0.48648059828377005
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.1867912700493798
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8430742873462894
+O=NN(CCCC(=O)c1cccnc1)C,0.5445649023450774
+OC(=O)c1ccccc1O.[Na+],0.06452279075858999
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8008459041804127
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.7413318045051704
+Nc1ccc(c(c1)C(=O)O)O,0.252648723340139
+c1ccc2c(c1)nccc2,0.5540019256113106
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.6783251651111066
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.5130600760040979
+CCCCCC(=O)N,0.17962657958000308
+Cc1cccc(c1)O,0.15080626700320712
+COc1nncc2c1cccn2,0.5337641335281331
+C/C=C/c1cccc(c1OC)OC,0.5389307987842741
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.4637573085683977
+OCCCCCl,0.5871917208119058
+NCCNCC,0.4662794624603924
+CCc1nccc(c1)C(=S)N,0.3639324677983599
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.27547482460864386
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.8964170368263854
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.46648344355489185
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.7840743334891479
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.7199904641192799
+O=Nc1ccc(cc1)Oc1ccccc1,0.7611744069080552
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.1786417716162416
+C1COC1=O,0.3782786119607191
+CCC(C)(C)C,0.018670145008829072
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.039753129841720816
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9261384880882249
+CC1=CC(O)C2CC1C2(C)C,0.024450460108928148
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7768987939367342
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.14681704770666706
+NC(=O)Nc1nc2c([nH]1)cccc2,0.5220174283025906
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.12581083795694847
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9682538492594431
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.5405442342252806
+CC1=CC(=O)c2c(C1=O)cccc2O,0.5607217387833752
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9608059973705556
+COC1=CC(=O)C=CC1=O,0.4124844665433348
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.7381700919662678
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.019943084357641423
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.7180145047006057
+COCCCN,0.13602311756296193
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.873452513876887
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.04549618916820805
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.6832805468477566
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.07156120189108538
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.456495470794829
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.6901915722785443
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.0557612570603352
+OC(=O)C(Cn1cncc1)N,0.10639613380543
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6069882419725805
+Clc1ccc(c(c1)N)N,0.8410758649298734
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.4791828562903445
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.382282418080749
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9394178873331932
+Clc1ccc(c(c1)N)C,0.7339737858660014
+Nc1cccc2-c3c(Cc12)cccc3,0.7861077757751429
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.2498743325888418
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.020997229675825728
+O=C1CCCN1C,0.5941015830725659
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.027841777557533223
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.7618761323165201
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9137457029489396
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.4779419989188252
+Oc1cccc(c1)O,0.10846344283970248
+CSSC,0.35158516093965464
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9482798419029774
+CCc1nn(c(c1Cl)C(=O)N)C,0.039894676701595966
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.20019072929492984
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.7356009656706028
+ClCc1cnc(nc1Cl)Cl,0.5210199798977613
+O=C/C=C/C(O)C,0.55893956011661
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9444236061148013
+O=C1NC(=O)c2c1cccc2,0.10753314794104758
+C/C=C\C=O,0.5179883948484203
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.1692336256667295
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8939095844039441
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.8822174806940652
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8207354878140676
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.2658886994772567
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.832451997353266
+Cc1ccc(c(c1)N)N,0.7647173376988363
+CCN(C(=O)c1cccc(c1)C)CC,0.521788943263359
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.11282847027670098
+C[C@@H]1O[C@H]1c1ccccc1,0.5981915369379461
+O=Nc1ccc(cc1)c1ccccc1,0.7906323519098282
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.41644256816744085
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.33553868450879865
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.21402968076350198
+CC(Cc1nccs1)C,0.045966525784076895
+O=CC1=CC[C@H](CC1)C(=C)C,0.19240189689320417
+OC(=O)CS.[Na+],0.2540529567802332
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.1604655742563798
+OC(=O)C1CC1,0.16651692025980808
+CC(C(=O)OC)CN=N#N,0.9599618993308163
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8297038314394154
+CNc1ccc(cc1)O,0.39220614031752293
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.14097277928668417
+OCCCCN(N=O)CC,0.9298706485030959
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.7168668095725222
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9782855402501406
+NCCCN1CCN(CC1)CCCN,0.22404908221254444
+CCN(N(N=O)O)CC,0.957714216004137
+c1ccc2c(c1)Sc1c(O2)cccc1,0.5050021574905716
+OCCN(C(=O)Nc1ccccc1)C,0.3322985906198368
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.6919326985452702
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8145668764591236
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.6845762653823155
+Nc1nc(N)c2c(n1)nc[nH]2,0.61378349628526
+c1ccc[nH]1,0.19757498897669734
+CC(=O)OCc1ccc2c(c1)OCO2,0.4340543511664907
+c1ccc2c(c1)[nH]c1c2ccnc1,0.5976238866928615
+O=c1cc(n(n1c1ccccc1)C)C,0.5032805346121033
+Clc1ncccc1Cl,0.2209702455906829
+Cc1cc(N)cc(c1)N,0.6329489125621061
+Cl/C=C(\SCc1ccccc1)/Cl,0.6312711657192617
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.7344265116238596
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9903078011891002
+OC(=O)[C@@H]1CSCN1,0.1249204441016342
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6850860503904466
+CCBr,0.13553939803827944
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.791660769233382
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.6723827181230468
+CCC1(C)CO1,0.49957572519164317
+CC1=CC1,0.5204390496488303
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8232103044333487
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8254229684055036
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.6442461437137907
+Nc1ccc(cc1)C(=O)N,0.3532118171398321
+O=NN1CCCCCCCCCCCC1,0.8324560679856603
+CNC(=O)C1=NN=C([CH]1)Br,0.6200616082784356
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9887969837937703
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9503814086739232
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.039294927558458606
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.2677366799610271
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.8796384831834918
+CCN(CC)N,0.6628905892953462
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.18987545270812994
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.0869493493782102
+Cc1cc(C)cc(c1)O,0.06690389266043698
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.8054032908908132
+OCCc1ccc(cc1)[N+](=O)[O-],0.7282937935955215
+O=C1CC(=NN1c1ccccc1)C,0.347914035252653
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.643360913358712
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9039480480825085
+Clc1cc(Cl)c(cc1Cl)Cl,0.02713264065324061
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9421543369736025
+C1CCC=CC1,0.09315496795346175
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9702908001054538
+CCCCCl,0.37862046664148724
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.6797414197318706
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7928747910058093
+COP(=S)(OC)Cl,0.4859388741945915
+Clc1ccc2c(c1)cccn2,0.5674645977518328
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.5400768203275366
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.21470676566852198
+ClC=C(C)C,0.6281820669677044
+COc1ccc(cc1N)C,0.38051544337385274
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.5546186623818254
+c1ccc(cc1)NN=Nc1ccccc1,0.799419780069906
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.29459710486866175
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.14411082868724792
+C=CC(=O)OCCCCOC(=O)C=C,0.4142346713831218
+ClCCCCN(COC(=O)C)N=O,0.9889941220867396
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9342662842376792
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9735554098785849
+CCc1ccccc1[N+](=O)[O-],0.7091445739433283
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.15884473498232765
+CCCCCCCCCC[C@@H]1OC1,0.5926429699420281
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.7966240154712362
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.20849243525694447
+C/C=N\O,0.31821373219927473
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.3916076201452016
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.27842552968044115
+CNC,0.058626629942470074
+CN1CCC=C2C1CCc1c2nc(s1)N,0.6303191683840168
+OCC=C,0.19136810356349254
+C1CCC2C(C1)c1ccccc1C=C2,0.41901517383486836
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9336198385859851
+[O-][N+](=O)c1ccnc2c1cccc2,0.8624042033585294
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.6980939695836941
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.06024032720971267
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.19705112979878897
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.19557949162915897
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.12729950873171084
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.007830174343261324
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.8787316944059362
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.827903971046681
+O=NN(Cc1cccc(c1)C)C,0.8562731596285946
+ONc1ccc(cc1C)C,0.5172023678843796
+ClCCOP(=O)(OCCCl)OCCCl,0.7318353113514229
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.5753015413954311
+Clc1cccc2c1cccn2,0.48526197281667843
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.6716711714597606
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.7899271087329849
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9441742396902427
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.01515920400611602
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9218343820491076
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.15180512819214145
+BrCC(=C)Br,0.7835047837782774
+CC(=C)C(=O)OC[C@H]1CO1,0.6384437234471454
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.08090721935324409
+C=CCc1ccccc1OCC(CNC(C)C)O,0.12881449810969114
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.4445447471776113
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9237366507221472
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.2036085851627879
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.02286360929880079
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.0940973461337892
+CNC(=O)c1cccnc1S(=O)(=O)N,0.2037037011430965
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.0360116049626875
+CC(=O)c1ccccc1,0.2707352707979202
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.233294534371706
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.8981514437213604
+Cc1ccc2c(c1)ccc(=O)o2,0.43466244883623106
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.39784154724999804
+NNc1nnc(c2c1cccc2)NN,0.9177773891309413
+CC(CC1NC(=O)CNC1=O)C,0.0954545085072412
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.1787031208305752
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.8570891860445069
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7144792000283086
+OC(=O)c1c(N)cccc1N,0.248282140816237
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.94973504684289
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.3710035823432048
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4116835175888737
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.5334966958521123
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.03536519326172791
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.2954888818985073
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3727727839086749
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.07835647723150409
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8602601008907311
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.5156623680737978
+Nc1sc2c(n1)c(Cl)ccc2,0.7870676352026909
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5028673309873973
+CC[S@@](=O)CCSP(=O)(OC)OC,0.6816332009957465
+CCOC(=O)CBr,0.7983173694446442
+Fc1ccc2c(c1)cccn2,0.46015684333585366
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.7758999169122244
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.15290044693233698
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.1721396406835093
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.5815206117997221
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.9835977818796728
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.762488827750715
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.04024047787738313
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.20032341451596142
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9094527034654507
+O=C(Nc1ccccc1C)CC(=O)C,0.22732328666248822
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.781224334051401
+Fc1cc2ccccc2c2c1cccn2,0.6502597963172688
+CCCCCCCCCCCCCO,0.08219315551420112
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.3532676340649478
+CCCCCC(/C=C/C=O)O,0.4888096460965667
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.8640644932794268
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.3024383002204939
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7602027086867962
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.012629016566341612
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9190119256218362
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.9245244411096012
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9772636994115645
+N#CC(N=NC(C#N)(C)C)(C)C,0.39026198105406174
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7134357515984836
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5765481863524023
+OC(=O)CCCCCCCCC(=O)O,0.03023695653360512
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9651962568322774
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.34300020127000186
+[O-][n+]1cccc2c1cccc2,0.46512016283490365
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.024633341662879994
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.38406176102072803
+COC(=O)c1oc(c(c1Cl)Cl)N,0.21970812824313599
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.2956873298336162
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.15593817492311543
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.68022218352894
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.01441241520945023
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.741196774968976
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.03866131286008113
+Nc1nc(NC2CC2)nc(n1)N,0.732922436932452
+NC(=S)N,0.4453137357025275
+ClCC(CCl)O,0.59927526633788
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.36378823984269704
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.17394766944289092
+CCOc1ccc(cc1N)N,0.7847057274462197
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.4112849416578086
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.12186015148995696
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.3337095353913606
+OCc1ccc(cc1)OC(=O)C,0.23169925320532123
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.16055738112211196
+O=NN(Cc1cccc(c1)OC)C,0.9095248214639179
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.6354638987529502
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.771214384548229
+ONc1cc(C)ccc1C,0.5242484147913399
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.7890711268911592
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7159335123908995
+CN(C=O)N,0.8738514675642115
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.14662104158713607
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.5177296956570713
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.1393791765035392
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9161500830169025
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.4028561995273583
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.28679150497507044
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9294004387510225
+O=Cc1ccccc1Cl,0.38798893607119905
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8004581065891454
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.18662642968621743
+OCCCCCCC/C=C/C=C/C,0.333295803005649
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.5470445372052918
+CCCCCCCCC,0.05042029383444384
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9265684188772936
+CN(NC(=O)CCC(=O)O)C,0.3333920301504964
+O1C[C@@H]1COc1ccccc1,0.8513980874915846
+CC(c1ccccc1)Br,0.3934946286453282
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.05038664090973288
+COc1nsc2c1cccc2[N+](=O)[O-],0.8262329358175534
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.20573822801621441
+O=c1ccc2c(o1)cccc2,0.2609907827081085
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9302516885661507
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.32780567607451744
+CCOc1ccccc1OCC1CNCCO1,0.21562233041274828
+OCCN(c1ccc(cc1)C)CCO,0.33161846483830915
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.8487798839332892
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8703281358169628
+OC[C@@H](CCl)O,0.7843492290074074
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8587085334578358
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9154172048904913
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.11611351045000448
+N#Cc1cc(Br)c(c(c1)Br)O,0.16082431971436373
+Cc1ncc2c(n1)CCC2,0.11140082386288416
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.39588204061465926
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.884281117556528
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.12383232195758809
+Nc1nc(N)c2c(n1)[nH]cn2,0.5558675130277336
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.15114778518762426
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.1019677619816418
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9737301911703473
+CCCCCOC(=O)C=C,0.10824749642371431
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.29423230357919095
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.8835732715729308
+O=CC1C=COC=C1,0.42922575177709316
+CCCCN(CCC(=O)OC)N=O,0.8417176453107111
+C1CC[C@@]2(CO1)CO2,0.35501907614158434
+CC(=O)Nc1ccc2c(c1)cccn2,0.4791200917893991
+Nc1cccc2c1snc2,0.7986520412467574
+C[C@H](C(=O)N)Br,0.8003063060061907
+[O-][n+]1ncc2c(c1)nccc2,0.45958939584404584
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.44613371541741936
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.3977910501152191
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.28159337857963157
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.9538879458824571
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.19660933757462615
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.07840765173266077
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.7363993014759203
+S=C(Nc1ccccc1)Nc1ccccc1,0.24628723444445771
+O=NN(C(=O)N)CC(=O)O,0.6507349118121618
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.6674825098922497
+ClCc1ccc(cc1)F,0.4545735555649372
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9640212527354428
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.7832241275035932
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.8808461801937577
+c1ccc(nc1)c1cccnc1,0.46191014754623394
+Cc1ncc[nH]1,0.12280342164270684
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.13025487729403354
+CNC(=O)Nc1ccc(cc1)C(C)C,0.22429723232708743
+Cc1ccc2c(c1)ccc1c2cccc1,0.8574690216317569
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.5984344731113979
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.04816826547182972
+CCOC(=O)CNC(=O)CBr,0.8258431805587892
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.4574908967662948
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.8320140164496725
+CC(=O)CCOOCCC(=O)C,0.6597183393961598
+Nc1ccc(cc1)/C=C/c1ccccc1,0.7801232684310481
+O=NN(c1ccncc1)C,0.7159311347887829
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9797865759872836
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.07750069949450283
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9360619902472059
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7693166445121364
+CON(C(=O)Nc1ccc(cc1)Br)C,0.33881518038915975
+Nc1ccc2c(c1)nccc2,0.7213132229961384
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.3536036434717985
+O=c1oc2cccc3c2c2c1cccc2cc3,0.604349480898085
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.7447350650008828
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.05846134101665951
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.7509730331074588
+Nc1ccc(cc1)S(=O)(=O)N,0.3996880494109624
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4342089139318992
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.2444026650163792
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.1254869545739485
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6605175281700318
+Cc1cccc(c1)C,0.19598925469920417
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.2623235337444999
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.5419937778955962
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.6750825882752329
+N#CCc1ccccc1[N+](=O)[O-],0.6071695580532874
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9610034512272845
+n1ccc2c(c1)cnnc2,0.4689572577879071
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.29456002403871684
+CCc1cccc(c1N)C,0.4790888653199999
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9120236389022417
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.8919184370043437
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5803185615207442
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.7000901514585465
+CCCCCCCCCCCC=C,0.08364811214399599
+Cc1ccc(cc1)Cc1ccccc1,0.11222380142036102
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7053162505250498
+OC(=O)C1(N)CCCC1,0.08534900653815662
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.12333315325959801
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.698997239614417
+OC(=O)c1cccc2c1OC(O2)(F)F,0.17304257377907556
+[O-][N+](=O)c1ccccc1c1ccccc1,0.8254716524226328
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.7721353660783737
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.2563994641964133
+BrC(=C)C=O,0.5267521427877417
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.15210046045933534
+ON=C1CCCCC1,0.35820868301857084
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8796486854649697
+CCCCN(CCO)N=O,0.8990939539362333
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.4790184467698525
+CCc1cccc(c1N)CC,0.20458795770113827
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.1797182052686239
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.6151750858794227
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9767052551983156
+CC(CC(=O)Nc1snc2c1cccc2)C,0.10894211779996926
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.06452107965167311
+C[Si](O[Si](C)(C)C)(C)C,0.06326894392527962
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.660791141520893
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.46726238633914113
+CCc1ccccc1N,0.49906205456630964
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.6803036714285405
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.46394510746668566
+C[C@@H](c1ccccc1)N(C)C,0.2936033445971963
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.6998574024656701
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.967213282687056
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.6408538923700623
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.3903199717859177
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.2651590505888319
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9511270311583424
+C=CC(=O)NC(CC(=O)C)(C)C,0.14794253647061908
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.8353693579012869
+NCCc1c[nH]cn1,0.2589407497085435
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.21086160801615172
+C1CCOCO1,0.04805081235861034
+NNc1ccccc1[N+](=O)[O-],0.9348066485322242
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.1132792704767731
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.08115290844374913
+Cc1cc2ccccc2c(c1)C,0.4484182658634956
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.14722006961070613
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.5328369966821995
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.34260739975505333
+Cc1n[nH]c(=O)[nH]c1=O,0.26768006182535026
+CCCCOC(=O)C,0.14509978283899444
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3535043431963121
+CC[P@](=S)(Sc1ccccc1)OCC,0.03512348473734189
+Cc1cc(O)nc(n1)S,0.08282085071807933
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8655446579982898
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.654504045053883
+Cc1ccccc1S(=O)(=O)N,0.2568962621977798
+C/C(=C\C=O)/Cl,0.5256291725031061
+CCCCCC[C@@H]1OC1,0.5715656624810516
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.963542024851819
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.19064156682619968
+CCCCSCCC(C(=O)O)N,0.19365704772969128
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9761695239943574
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.2542509025235124
+ClCc1ccccc1CCl,0.5158111560319684
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.07821365648550206
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7359809663376292
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.25679875189467105
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.7999310478233908
+Oc1ccc2c(c1N)cccc2,0.7886278471077927
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.4558931201508155
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8605130629201359
+COc1ccc(cc1)CC1OC1,0.7966508234179513
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.491236114490403
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.6299792134106571
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.5803708545364568
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8225618536094209
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.22798093612957163
+CCCCC/C=C\C=C/C=O,0.5954309482166722
+CCN([N+](=NO)[O-])CC,0.9646121981735853
+Fc1cccc(n1)F,0.1365977996439474
+Clc1ccc(cc1)C[C@@H]1OC1,0.7782330514282535
+O=S1(=O)CCCCO1,0.30033121559026826
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.16098970306300464
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.950195491029559
+O/N=C/C=N/O,0.6617056916607648
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8173586170111692
+CC(C(C)(C)C)OP(=O)(Cl)C,0.245518402152994
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.3752835946112009
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.49503731844093735
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.4877814644523314
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.5687714363758276
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.48679266991906167
+Clc1ccc(c(n1)C(=O)O)Cl,0.04629476178007976
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.1730591118090215
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.6420514651607683
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.5517427657108697
+OCNC(=O)CCl,0.8655815176174614
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.4729025571673681
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.04632526293388584
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7440764575050255
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9782608972626409
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.17166172894023868
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.9141956231165315
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9726874072542291
+ONC(=O)c1ccc(c(c1)O)O,0.628866538005326
+NC(=O)c1ccccc1C(F)(F)F,0.2109847139955557
+Cc1ccc(c2c1cccc2)C,0.6231539333089134
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.2627347684777314
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.19156581766802439
+N#CCCNCCC#N,0.6721783180508033
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.21992787772249978
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8484486204533762
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.03509940068357389
+Clc1ccc2c(c1)c1ccccc1o2,0.6629889480654882
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.8374179548687714
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.28211499905361664
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9169740307962091
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.5203269918697588
+c1ccco1,0.20476138954236486
+C=CC(=O)OCC(C)(C)C,0.10224937117581326
+COCC(=O)O,0.11480893335427297
+CCCCOc1ccc(cc1)N=O,0.641934146712843
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.07477796004227508
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.19320562974431915
+NNC(=O)CNc1ccc2c(c1)cccc2,0.8562784737321718
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.2469777858898716
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.13451197691231725
+COC(=O)c1ccc(cc1)CN(N=O)C,0.8548718667150403
+Nc1cccc(n1)N,0.4305037722836692
+O=C=Nc1ccc(cc1)N=C=O,0.5443187706037198
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.933676814307446
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8451480972961946
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9452557454663844
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.5325496139066732
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7574232038447315
+NCCN1CCNCC1,0.38861796606407956
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.7691306763801068
+O=NN1CCN(CC1)C,0.6440731462408439
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9512266893724908
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.735987717041581
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.10352147408166608
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9698668734444913
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9589811015808953
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.26143656838353896
+c1cnc2c(c1)ccc1c2cccn1,0.8370700915041905
+BrCCC(Br)Br,0.6558711320147544
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.6282565625367137
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8656017086012588
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8326681646277283
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.5275906552020366
+CC([N+](=O)[O-])C,0.8185332020804291
+NCCCNCCCCN(N(N=O)O)CCCN,0.9489102157973781
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.21328174745323555
+O=C1C=CC(=O)C1(Cl)Cl,0.7455519473610445
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.33715356792295453
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.10744966365561716
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.42117600053051313
+c1ccc2c(c1)c(OCC1CO1)ns2,0.8925678576623086
+O=C(C1OC1)NCc1ccccc1,0.8074790846252198
+c1ccc2c(c1)occ2,0.37934452931090323
+CNC(=O)ON(C(=O)NC)C(=O)C,0.51971499188159
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8815685365403626
+Cc1ccc(cc1)Br,0.1071152676136671
+Nc1[nH]nc(n1)N,0.31457405901502894
+O=C/C(=C/c1ccccc1)/C,0.505362304914559
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.35426389354571186
+CN[C@H](Cc1ccccc1)C,0.1381264368100508
+Cc1c[nH]cn1,0.31631143854716853
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.613782078581953
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9104373152146242
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9150191666542478
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.3105564515352766
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.47976306987521333
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.8513616875505148
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.7913117689737162
+O=NN1CCCCC1,0.7099663843549481
+Oc1cc(=O)[nH]c(n1)N,0.30321554124182865
+CCCCOC[C@H]1CO1,0.6260139975470473
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.1803924011416309
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7818543050473525
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.11623763896345239
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.22580422352577262
+Nc1ccccc1S(=O)(=O)O,0.09766734859203213
+C=CCOC(=O)CC(C)C,0.06214004270982315
+Nc1nc(N)nc(n1)N,0.34915579683594294
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.18457520495739393
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.5941137287090341
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.0857468390586695
+Cc1ccc(cc1)C(C)(C)C,0.04315133084178825
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9104373152146242
+CC(=C)C1CO1,0.797343257571231
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5397319383725775
+[O-][N+](=O)c1ccccc1C(=O)O,0.5630761637745565
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.02417865585243427
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9296376032738677
+BrCC1=C(Br)C(=O)OC1,0.9204359178190717
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9873627909747694
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.5512155639825186
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.1140473214916777
+COc1ccccc1c1ccccc1,0.309362783217514
+CC1=CC[C@@H](CC1)C(=C)C,0.021189863229831952
+ClC(C(=O)O)Cl,0.658062302967085
+O=Nc1cccc(c1)c1ccccc1,0.8447598333355953
+Cc1cc2cccnc2c(c1)C(=O)O,0.1615423481853591
+COc1ccc(cc1)CC[C@@H]1OC1,0.8427645885932941
+OC(=O)CCc1c[nH]c2c1cccc2,0.08767414726735864
+O=NN1CN2CN(C1)CN(C2)N=O,0.8348447765531692
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.40057237273504387
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.09633346528077176
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.8058173818721917
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.66897173302123
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.40075158511786096
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.10017174399934775
+[N-]=[N+]=NCc1ccccc1,0.8733855970536227
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9761518053292905
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.7826820933031458
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.2439621078886399
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.2805434087849845
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.836207910571457
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.7077706130058309
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.12328866391652148
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.9353773925709346
+Nc1ccc(cc1)[N+](=O)[O-],0.783274443591599
+CNc1ccc2c(c1N)cccn2,0.772085165312188
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.3461500441649258
+NCCC#N,0.316515109603286
+COc1ccc(cc1)N=O,0.7891653981373747
+Cc1ccc(cc1)C[C@@H]1OC1,0.6448166942091244
+OC(=O)CCC(=O)O,0.03332196560199571
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.7531274369555886
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6590163296831243
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7109793627390928
+O=NN1CC[C@H](C1)O,0.9147928871278287
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.6327330968924196
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.7189401096570647
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.017123199027170844
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.049142598324170596
+O=C(C(Br)(C)C)NCc1ccccc1,0.16364986688252658
+CC1=CC(C)(C)Nc2c1cccc2,0.37943904006735707
+O=C(C(C)C)Nc1snc2c1cccc2,0.2939130521915458
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9449927928214932
+O=C1C=C(C)C(=O)C(=C1)C,0.5536316915871785
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9673106553082131
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.8552912976483827
+CC(=O)c1ccc2c(c1)cccc2,0.7589633975322323
+CCCCOC(=O)C(=C)C,0.20277131065700957
+CC/C=C/1\OC(=O)c2c1cccc2,0.19911001592016775
+Clc1ccc(c(c1)C)N,0.8164365820315466
+Oc1ccc2c(c1)nc([nH]2)N,0.3035659326105532
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.860112220199634
+NC(=O)C1CO1,0.843520113969705
+ClCC(=O)c1ccccc1,0.7020824219948452
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.07128878427899864
+O=CC(=C(Cl)Cl)Cl,0.6429885483374085
+CC(COC(=O)C(=C)C)O,0.2612528965151656
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.010071524856383702
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.6346968911874423
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.9024254246808169
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.5210238719506828
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.35540467782931207
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7824969254290831
+CNC(=O)CSP(=O)(OC)OC,0.6514944530582544
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.6612495483189267
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.8461606995160418
+COc1cc(Cl)c(cc1Cl)OC,0.14633305573500582
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.11160111958733962
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.5999748321582271
+N#Cc1ccccc1C,0.2555332987786891
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.7055323123356214
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.22645399856935422
+Oc1cccc2c1OC(C2)(C)C,0.07847777366258513
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.8784621280210052
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.8904218441460198
+CC(=O)Nc1ccccc1C,0.32364052956157047
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.04560491647451138
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.08025507371039177
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8729353790901371
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.49227937109278314
+CC(c1cc(ccc1N)c1ccccc1)C,0.6157016265285227
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.15900854123114805
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.12815545059967623
+O=C1c2ccccc2C(=O)c2c1cccc2,0.6091034320459539
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.4592206878716802
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.6261492639306973
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.39350382800030925
+CCn1c(N)nc2c1ccc1c2cccn1,0.9260239852323443
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.10370314721442951
+O=CCC=O,0.37941374845140297
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.9591868487029356
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.01996104980216344
+Oc1cccc(c1)[N+](=O)[O-],0.6072698849010331
+C=CCNCC=C,0.3185343908995754
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.009604493172521728
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7469074324705435
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.3296399760483814
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.1306118114071587
+ClCCOC/C(=C\Cl)/Cl,0.9293129848205874
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.09182196573754846
+Oc1c2ccccc2nc2c1cccc2,0.4330411222697565
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.07592350546783087
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8546639342588604
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.3338990127114696
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.04738351841866866
+N1C(=O)C(=N#N)C=NC1=O,0.7500544977007947
+Clc1nncc2c1ccnc2,0.4466138906680392
+COc1nsc2c1ccc(c2)N,0.9284128730512898
+O=C1CCCC=C1,0.13844051036906893
+COc1nsc2c1cc(N)cc2,0.5813384578681873
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.6533075428285017
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9727349204450634
+Clc1nncc2c1cncc2,0.41399766814337624
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4148425127060036
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.8797684528621913
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.8899611550819911
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9456113932191512
+NS(=O)(=O)c1cccc2c1nccc2,0.3395298650178644
+OCc1ccc(cc1)C,0.19264462285118278
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.37660427998955226
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.1631623001901331
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.044335502845976656
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.5803708545364568
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7608625575584794
+N#CC1(O)CCCCC1,0.014268772719061878
+Oc1ccccc1,0.07912544344350368
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6239569286119278
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.85383278996375
+COc1ccc(c(c1)OC)N,0.4815205278178776
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.8752116221776928
+OC(=O)c1ccccc1.[Na+],0.07049771906221901
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.8137230184132109
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7968267619020066
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8238051282546612
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.3364535689868451
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.8196168540908004
+Cc1ccc(cc1)N(C(=O)C)O,0.6092147922185581
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9279380627705928
+CCC#N,0.10870875084387628
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7019038024474091
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.950733187053639
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.20969311599523124
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8880271702341194
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.10313114522136407
+CCOc1nc(NC)nc(n1)N,0.23171877918486922
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.08825929842259912
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.11835909359251752
+NC(=S(=O)=O)N,0.8120754355422731
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.2504635465953312
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.4067799426475471
+Ic1cc2cccnc2c(c1)C(=O)O,0.12786650297239682
+C=Cc1ccccc1C=C,0.14076021886820195
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.1655738721195365
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7493804458541262
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.0109368846440658
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.2787240379809966
+ClCC(C(=C)Cl)Cl,0.7083729338978192
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.7743816743655603
+On1nnc2c1cccc2.O,0.44195016986083235
+NC(=O)CNC(=O)C=N#N,0.9732852487032516
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.008896665964723757
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.6921917450391504
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.9238624642966161
+CCOC(=O)C,0.3404169282078882
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7830320508731246
+Clc1ccc(c(c1)C(=O)O)O,0.16185303096918835
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8780582237474147
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.12721895885426554
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9488812550109219
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9620576565392148
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.800457219337009
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9259592033440562
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7275060082056447
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7239623793017392
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.7781364357739695
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.843024433191633
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.2715786874255043
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.10741507318434716
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8741817177296558
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.5912589508442824
+CCCCCCC[C@@H]1CCC(=O)O1,0.11029529448652207
+CCNC(=S)NCC,0.12149503979169937
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.45726078012107174
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.15642361251190168
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.48737291618031925
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.3768266015980157
+COc1cc(C=C)ccc1O,0.14487436234524081
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.11626712506814191
+Brc1ccccc1c1ccccc1,0.23311451440604908
+O=CCC(CCC=C(C)C)C,0.17244583277511852
+CCCCCCCCC=C,0.054986158020655936
+Clc1cccc(c1)Br,0.13859321537040598
+Cc1ccc(c(c1)O)O,0.3003890474789717
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.2804573528188799
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.8031479771409167
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.6439283017999118
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.08112508236329592
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.01126243400709606
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.3337016930780431
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.28200715517550984
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.13650969478987068
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.45065003885705535
+O=NN1CCNC1=O,0.9396947984747304
+Oc1nc2c(C)cccc2nc1O,0.4064454403314056
+O=NC([N+](=O)[O-])(C)C,0.9160595795237523
+Cc1cc(C)cc(c1)C,0.10389974439415639
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.05936662337334176
+OCCOCC,0.21273553331333783
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8246510254338818
+N1CC1,0.31242052423698863
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8480064292312823
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.6761735515057837
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.498518127800441
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9767052551983156
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.7441569437497376
+OS(=O)(=O)ONNCCc1ccccc1,0.23532299229525122
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.1646004066083997
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.7754806681931389
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.6461689045668989
+OCCc1c[nH]c2c1cccc2CC,0.28109679575030966
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9305430980738203
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.5039744390604254
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7219001904587018
+CCOCCOCC,0.09688133318793403
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.03747226161644099
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.6382319330669107
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6270834453607891
+O=C/C=C\c1ccco1,0.5062553985812882
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.6739695759246223
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.01995864320567743
+Oc1ccnc2c1cccc2,0.23355306424558384
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.06873804460606213
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.8054374504238498
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.27807612131069875
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3265295712085502
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.4823770757900484
+CNc1snc2c1cccc2,0.5921500546079348
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9680726565616474
+CC(c1ccc(cc1)NC(=O)N)C,0.29279436412078186
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.6724437235664928
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.06284604640703917
+CC(=C)C=O,0.46592292252617545
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.06500062668656283
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.8789797636018826
+CC(CCOC(=O)C)C,0.18094885685017223
+CCCCN(CCCC(=O)O)N=O,0.6250546006245359
+c1ncc[nH]1,0.2739614945083862
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8338661761374856
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.034614228376186364
+CC(=CC1C(C1(C)C)C(=O)O)C,0.08205178514661257
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.16415403409162987
+CCN1CCNC(=O)C1=O,0.4388932915601919
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.7469188407271347
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.3925614972369847
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.9667347725727999
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9490959460262326
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4343612679003924
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.17141202010569503
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.47080934462475066
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7730196301139908
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.18754837394130588
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9713257199641763
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9649705506408862
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.8102741300502667
+Oc1ncnc(n1)O,0.0921695005914833
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.013132125928720175
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.5325496139066732
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.3278305073251683
+BrC(C(=O)O)Br,0.6269981883734403
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.19679209072670137
+C1CC[C@H]2[C@@H](C1)O2,0.15456849960218835
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8822153619951356
+CC(Cl)(Cl)C,0.033278239155225334
+Nc1cccc2c1nc1cccc(c1n2)N,0.9271873535315281
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.22199260508766258
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.09476472068852708
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.912699183929088
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.3877875476646018
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9424575219854501
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.962460289477371
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.2741407114500506
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7633800515935802
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9398809248921207
+N#C/C=C/C#N,0.6052379899905787
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7304888680773637
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.936602031009422
+OC1COC(=C(C1=O)O)C,0.164784985975146
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6287519096099832
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.5056751505258537
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.8688591341161352
+O=CC(=O)C,0.6808744223682378
+Oc1cnnc(n1)O,0.08982294571377171
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.050914894474607376
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8923458337971834
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.9467161054356684
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9159646475114078
+CCCC(=O)c1cc(O)c(cc1O)O,0.24748604636530036
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.03498559755395335
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7281985281755129
+OC(=O)c1cccnc1,0.06232073902790897
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.7473347614966268
+ON1C(=O)CCC1=O,0.22134748042084962
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.08389300741786865
+CC1CCN(CC1)N=O,0.7292481613859029
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.08510384232671796
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.03389211941317703
+CCCCCCCC1CCC(=O)O1,0.11029529448652207
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8649762857801068
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.10773072995931528
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.658092538094339
+N#C/C(=C\c1ccco1)/C(=O)OC,0.2246869612656216
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8960499415669353
+CCCCOC(=O)c1ccccc1N,0.13959069036103544
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.8940463667912529
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.05214457109567057
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.08598873871967781
+COCCOC,0.16693881400113406
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9054800484683163
+Clc1ccc(cc1)Cl,0.07867841779268213
+Cc1c[nH]c(=S)[nH]c1=O,0.33359509073145643
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.045771753094335246
+CCOC(=O)CCl,0.8071270064679428
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.4872042712281825
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.20568835363751645
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.03311840405939951
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.313974217780555
+Clc1ccc(c(c1)C)O,0.42326887859462564
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.0791769964977866
+N#N=NCCC(C(=O)O)N,0.9478738965812993
+NCCN,0.6883343690479424
+C[C@H]([C@H](O)C)O,0.11901765070444015
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.8276231506159659
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.10303109630159694
+O=C(C(Br)C)NC(C)(C)C,0.7000479193571112
+NCCNCCN,0.7645000158373584
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.7152672370766864
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8944471317869488
+COCC(=O)Nc1c(C)cccc1C,0.3487193022557955
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6694414259759437
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.12333315325959801
+CC(=O)Nc1ccccc1,0.1558621868194804
+Clc1ccc2c(c1)nc(n2C)N,0.720144347743794
+COS(=O)(=O)C(F)(F)F,0.45684482236962365
+CC(=O)OCN=[N+](C)[O-],0.6938596083155467
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.36784676573660463
+Oc1ccc(cc1)O,0.10584216042078495
+O=c1[nH][nH]c(=O)c2c1cccc2,0.2145219737461705
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7371967643911113
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.5465154278095169
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8766367390244637
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5952654493703053
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.15572412650297446
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.18484760452849044
+Nc1cn[nH]c(=O)c1Cl,0.6716495372730884
+CC(F)(F)F,0.018644540593952746
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.6542628479687714
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.898414840031477
+Oc1cccc(c1C)O,0.22495589523258394
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6560725724244263
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.06162138534530852
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9826776135955527
+C([C@@H]1OC1)Cc1ccccc1,0.8780677006323196
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.4496667317501596
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.22585527215691464
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.13022666766722507
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.36764017184049264
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.8452493783307454
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.2058579067137841
+[O-][N+](=O)c1cnc(s1)N,0.9055015355751526
+[O-][N+](=O)c1ccc(o1)CNCCO,0.8153491888842536
+CCCOC(=O)C(=C)C,0.2432824616961021
+BrCc1ccccc1CBr,0.538559448344606
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9539808079822439
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7525685114630349
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.18916709604655363
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9664420391200002
+C=CC(=O)OCCOC(=O)C=C,0.45470312910537675
+Clc1ccc(cc1)C(=O)Cl,0.2257099308539018
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.014582446961043286
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.8989990255228242
+O=Cc1cccnc1,0.2104645352723576
+CNc1nc2c(n1C)ccc1c2cccn1,0.8403896236137248
+COC(=O)c1ccc(cc1)C,0.20737161277181418
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.02207615589353583
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.2493165663361448
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8314217659026175
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.058773527136442745
+c1ccc2c(c1)[nH]cn2,0.4412164200186434
+Oc1cccc(c1)N(C)C,0.2603906985034195
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.936931856012542
+CCCCCCCCCCCCCCCCCCO,0.05057070442071779
+OCCN(C(C)(C)C)CCO,0.08644225767346314
+O=NN(c1ncn(c1C(=O)NC)C)C,0.8385102084544505
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4371704080848962
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.96743901794604
+C[Si](N[Si](C)(C)C)(C)C,0.08788529860907303
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.010481889301143401
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.026196057635725613
+Fc1cccc2c1c1cccnc1cc2,0.7403070906020414
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.006213432126088256
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.8688876413164447
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.12632439112126295
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5876292782250975
+O1CCOCCOCCOCCOCC1,0.2419820298619635
+CCCCCCCCCCCCCl,0.23570404926994865
+OC1C2OC2c2c(C1O)cccn2,0.3407923904854591
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.8846678474680275
+Oc1cc(O)cc(c1)O,0.1494353601396046
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.5886156787557784
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.35923560781309793
+S(Cc1ccccc1)Cc1ccccc1,0.24062685679821047
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.1483394685642203
+c1ccc(cc1)N/N=N/c1ccccc1,0.781173585732025
+O=C/C=C/C=O,0.613945099646195
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.04118951739462061
+COc1cc(CCC(=O)C)ccc1O,0.2767562262887246
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8747083694741059
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.03902350922539917
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.3522316800166373
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.06674429784574697
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.6961602237870764
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.504985631632023
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7963174272869145
+Clc1ccc(cc1)S(=O)(=O)C,0.15465813838348688
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.020194180954076744
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.3064990181986799
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.13055507778783157
+COCC12OOC2(C)c2c(O1)cccc2,0.42524097665852456
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7576585491120589
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.8291235710537084
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.945929944223559
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.6551719024222119
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9580735523369239
+CN(CCN(C)C)C,0.07936306888663167
+O=Cc1c(Cl)cccc1Cl,0.2699858470847831
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.6745123657080476
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.07875704574873704
+ClC(C(=O)C(Cl)Cl)Cl,0.7679396102673965
+O=CCCCC=O,0.5682716733888042
+CSC(=O)c1cccc2c1snn2,0.5171537313501866
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.27464630517001104
+COc1nc(NC(=O)N)nc(c1)OC,0.24016151732613034
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.40586968456083966
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9882703103812663
+Cn1cnc2c1ccc1c2cccn1,0.9175127754667953
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.05583994323202746
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.1132660275599339
+OCCN(C(=O)N)N=O,0.7807502410510178
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.0900200442969598
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9857146570971199
+BrCC(=O)c1cccc(c1)OC,0.5807719743091256
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.21243014004973587
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.7415032674148488
+CC(CCNc1snc2c1cccc2)C,0.4004921306147054
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.7595451106787376
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.0656708458712484
+Nc1ccc2c(c1)cns2,0.6700735235884935
+BrCc1cccc(c1)CBr,0.6339467393783202
+CN1CN(C)CSC1=S,0.20083212145369822
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.17141202010569503
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.7459915971675893
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.4769367326583923
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9147581473540065
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.08418160040675916
+COCCO,0.09194895673028253
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.18194488299895417
+Cc1ccc(cc1C)S(=O)(=O)O,0.10782541159160276
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.13787542910721565
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.11541424961435616
+CC(C1=CC(=O)C(=CC1=O)C)C,0.3133884389538729
+CC(S)C,0.40184022399617725
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.3213701279137957
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.945451142380325
+COC(=O)C1=CCCN(C1)N=O,0.8058503440080113
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9761021718505541
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.12670760149036914
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9097871418629464
+Nc1ccccc1,0.3266638464102827
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.510035368312458
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.30586671469931737
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.10216794130820873
+C[C@@H](c1ccccc1)CCc1ccccc1,0.13075029996093387
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.24866181045209582
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.2597478994766082
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.8907012573405171
+CC(=O)OCN([N+](=O)[O-])C,0.8984285921259781
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.10735581375105847
+C=C[C@@](CCC=C(C)C)(O)C,0.08817631164810759
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.1720541911824474
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.15847429469403804
+O[C@@H]([C@H]1CO1)CO,0.8379107787434651
+COc1cc(C=O)c(cc1OC)OC,0.2650330822434858
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.804866413041197
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.8228849572089235
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0925727280412408
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5297409253198342
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8371215300808568
+CCCC(C(=O)O)CCC,0.014481223049264318
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9357453161883037
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.8893189820852004
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.6398682409815284
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.7497531330505319
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.9033011510446322
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.5053707114366679
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.4258122657114337
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.2979518947302481
+OCCc1ccccc1,0.1566149676422794
+COc1c2cccc(c2nc2c1cco2)O,0.6731232969918506
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.5611815620992873
+CC([N+](=O)[O-])(C)C,0.5544303068547024
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.7456845162836299
+c1ccc(cc1)NNc1ccccc1,0.42462446647324575
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8719471213944813
+ClCCN(CCCl)C,0.5674195649584124
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.12104227237360975
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.37082486982609614
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.2932135790728464
+C=Cc1ccc(cc1)C,0.11123956383052762
+NC[C@H](N)C,0.5065989718765919
+Cc1ccc(cc1)[N+](=O)[O-],0.6447664755741029
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.5398654492978332
+C[C@H](CO)Cl,0.44163724971615653
+BrCCBr,0.7015970156870621
+CON,0.5735481345269465
+O=c1n(CC2CO2)sc2c1cccc2,0.8489390455847761
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.11657971730275092
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.05639119842799169
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.13281496003648743
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9494847091074566
+COP(=O)(SC)SC,0.3573652749607824
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.7520780504235126
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.7416762679247269
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.29636261385597495
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9623706591801642
+ONc1cccc(c1)C,0.5241217057272599
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.17932436678514507
+CC(=O)OCC=C,0.15307349301237613
+NC(=S)c1c(Cl)cccc1Cl,0.17800752656522692
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.4380393773809122
+ClCC1=C(Cl)C(=O)OC1O,0.7986733408704078
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9645750027026438
+CC(C(=O)N(Cc1ccccc1)C)Br,0.5837426410816847
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.016793791185462887
+Oc1ncnc2c1cccc2,0.26875405300791333
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.2296537377814615
+O(Cc1ccccc1)CC1OC1,0.8350885284386618
+Cn1c2ccccc2c2c1cccc2,0.9479237196189388
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9632630610827652
+COC(=O)C=C,0.17515473515964025
+Oc1ccc(cc1)c1ccc(cc1C)N,0.64465746513254
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.07839866364227938
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.5943259056600144
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.9218810529646105
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9607523715243212
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.23989522413093858
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.5724735033107371
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.897364397999724
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8109199479225468
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.21872683731163184
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8904455624396181
+Oc1ccc2c(c1N)cccc2.Cl,0.7951752281039353
+Fc1cnc2c(c1)c(F)ccc2,0.39751981530483893
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6940166946313417
+O=C(Nc1ccccc1)Nc1ccccc1,0.11953156201390977
+CN(C(=S)N(C)C)C,0.4835956678914574
+CCCCCOc1ccc(cc1)N=O,0.6002546533620285
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.8644154817225489
+Clc1c(Cl)ccc(c1Cl)Cl,0.15927700041537554
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9383411474256181
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.8443422989373477
+Brc1ccc(cc1)[N+](=O)[O-],0.4347888191007169
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.10679932545563495
+O1OC2c3c(C1c1c2cccc1)cccc3,0.8333155262861077
+CC1=CC(=O)C(=CC1=O)C,0.3567789479405336
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.05263343335952434
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8964244682133328
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.5460232099117979
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6648743408793985
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.8087072223417773
+COc1cc(ccc1OC)CC1CO1,0.7064343467620658
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.4223433980816868
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7371699089304374
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.33599148260881845
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.037539882367950424
+COc1ccc(cc1)[N+](=O)[O-],0.7561849573574024
+C=CN=Nc1ccccc1,0.3948330787591307
+N#Cc1ccc(cc1)C,0.2145069170065228
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.2050318032979754
+Nc1cccc2c1c(N)ccc2,0.8590531970816593
+O=C1CCCO1,0.2921851148396492
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.12022357770646777
+OCCCN=N,0.7031524502784212
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.4984956445220047
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8908159662058914
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.15407366774663012
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.7099052609220816
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9049353872766415
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.042479113843431573
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.6429350554145244
+Clc1cc(Cl)c(c(c1)Cl)N,0.6285511227997925
+Oc1[nH]cnc2-c1cnn2,0.0954546695514261
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.10176960350592443
+O=C([C@]1(C)OC1)Nc1ccccc1,0.8272526075442382
+c1ccc(cc1)/N=N/c1ccccc1,0.5751402848387829
+CNNC,0.5756418349046449
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.19063655914752958
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.6980080500126286
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.09991851549792122
+O=CC(=C(C)C)Cl,0.3892794841896142
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.47420496728074535
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.10774475844188416
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.7347582736117158
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.3093266983460971
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4578572682708202
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.8463331772445498
+ONc1ccc(cc1)C,0.5736872691017832
+[O-][N+](=O)c1cccc2c1nccc2,0.8528228319517954
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.7341708024393032
+O=C(C(=O)O)C(=O)O,0.10526511311145158
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.12365992096213638
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.8207576641216773
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6421588560888317
+O=C1CCCCCO1,0.03667656779004592
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.08740418412023432
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.4884342650696788
+CC(=O)Oc1ccccc1C(=O)O,0.2191105689541171
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.3638072477248468
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.23330417225066488
+C(Sc1ccccc1)CSc1ccccc1,0.1215088350539344
+ClCCSCCCl,0.9388616147387392
+Clc1cc(Cl)cc(c1)Cl,0.06254531932577709
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.25101362331452265
+COc1cccc2c1OC1(C2(C)OO1)C,0.4178744607076987
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9730400553137103
+ONC(=O)Cc1cn(cn1)N=O,0.5966173668459422
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.23613014560146778
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.5913885398370311
+Nc1cc2ccccc2c2c1cccc2,0.9440744881323053
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.23879184072712012
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.19102862207181043
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.10609548684880202
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8703773310103076
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.013977177291007357
+CN(c1ccc(cc1)N)C,0.6389150885791011
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.541591243543717
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.5288395965900126
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.8402675807368442
+CCCCN(CC(=O)CC)N=O,0.7949992221153693
+CCN(c1ccc(cc1)N=O)CC,0.7974819048781187
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.528078603127144
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8554209591750757
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9677794565029909
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8720672689247331
+CCCCN(CCCCO)N=O,0.8184172833089194
+OC(=O)c1ccccc1C(F)(F)F,0.0558934272110687
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.871367458737312
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.46060303981033246
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.039841156688089095
+OC(=O)COc1ccccc1,0.07791202304288712
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9280170832909289
+NCCc1ccc(c(c1)O)O,0.43064043503364907
+Fc1cnc2c(c1)c(N)ccc2,0.6794403974700539
+Nc1n[nH]cn1,0.453562296184843
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.051415634896339546
+CCCCCCCCCCCCCC[C@@H]1OC1,0.3926940597116906
+COc1nncc2c1cncc2,0.5308808611385212
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9891179170529072
+CC(C#N)O,0.2087588432795207
+CCCCCCC(=O)O,0.06287121215879762
+ONC(=O)CNC(=O)c1ccccc1,0.32617842571356936
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6542932971816163
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.24279176161917285
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.19406390049913483
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8563660257362492
+ClCCN(C)C,0.3824401606509166
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.05127140481636089
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8930706542728999
+CNCC(c1ccc(c(c1)O)O)O,0.3667820382093555
+C[C@H]1CN1,0.6410854113945784
+BrC[C@H](c1ccccc1)Br,0.5485005132687119
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.19397998384598492
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.4099703873315064
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.3828558100316889
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.7963467528447465
+CCOP(=S)(SCCl)OCC,0.6638034526676054
+CCOS(=O)(=O)c1ccccc1,0.3094989189399156
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.13861328533571082
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.858024574298018
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.806207029156322
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8174483244654697
+CCOC(=O)CNC(=O)[C@H](Br)C,0.7682569820722012
+CC(Cl)C,0.18082761161426744
+OOC1(C)c2ccccc2-c2c1cccc2,0.9154277707540105
+O=NN1CCC(=O)CC1,0.6612096394209208
+Cc1c(N)cccc1Cl,0.769144913806957
+Oc1cccc2c1cccn2,0.2771264733531164
+CCC(CO)(CO)CO,0.034453618749535876
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.8943460871418697
+NC(=O)c1cnccc1C(F)(F)F,0.1885091143009232
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.05473614462800727
+COS(=O)(=O)F,0.6729146495369712
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.37401220892383236
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7718297942478184
+Fc1ccc(c(c1)F)N,0.517084753831729
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.09037692946423513
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.6988095719563265
+CN(C[C@@H](Cl)C)C,0.5554753333262142
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2320800767975866
+COc1cc(ccc1O)CC1CO1,0.7912661454107897
+OC(=O)C[C@@H](C(=O)O)Cl,0.35444471366034636
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.569488301048542
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.12934805084511294
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.024496667695115534
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.7687185998090973
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.27946208826295627
+BrCCSCC(C(=O)OC)NC(=O)C,0.7431068857219655
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.8245496718870868
+COP(=O)(OC=C(Cl)Cl)OC,0.4683810809701668
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.050969360467531276
+CCCCN(C(=O)N)N=O,0.8857504692683745
+COc1ccc(cc1)CC=C,0.14625097186373567
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.0060953317410171685
+Cn1c(N)nc2c1cc1ncccc1n2,0.909884202328591
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9726893571087756
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6142436931226759
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.20118124713002744
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.39648898117106973
+N#N=NCC1OC(O)C(C(C1O)O)O,0.9352057606227042
+OCCOCCOCCO,0.38295412712271754
+CC(c1ccc(cc1)C(C)(C)C)O,0.06471480743243985
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9740532058332756
+COc1ccccc1N.Cl,0.4730109873548858
+Clc1cccc2c1c1ccccc1o2,0.5986465781819647
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.19607562647013402
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.10033008721472567
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.20235111239487413
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.17994680296330845
+[O-][N+](=O)c1cnc(n1C)C,0.6727643811754324
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.7639138599684638
+Cc1cc(=O)[nH]o1,0.48307153746366355
+ClC(=O)Cc1ccccc1,0.17429550373724328
+OC(=O)CC(C(=O)O)O,0.06762638073354207
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.8833890031079411
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.2840382129953436
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8329036992734108
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.6922177338493514
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.41851653160281854
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.595945870371936
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.1665365896804529
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8988806377704728
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.8700899892755392
+C1CC23C(C1)(O3)C=CC=C2,0.5282403955400132
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.46535817086426273
+CC1=CC[C@H](CC1)C(O)(C)C,0.04058176150132581
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.24289771428654086
+CC(OC)CCO,0.0975348904784932
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.7743686036576423
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.77777216970378
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.6830106577640701
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.708328358886151
+CCOCC=O,0.3832392456117251
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.738199664370933
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.49751740054970794
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.4364247785786718
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.12058225401555112
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.03720947477387147
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9831934805558914
+c1ccc2c(c1)cncc2,0.6300026368814451
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.011243339409527302
+[O-][N+](=O)[CH-]C,0.7052760159747764
+ClCCN(c1cnc(nc1O)O)CCCl,0.629793090615512
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.1004187115516596
+BrC(C1=C(Cl)C(=O)OC1)Br,0.9560861536930334
+Oc1ccc2c(c1)nc(n2C)N,0.6708360369905995
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.14626766711663325
+OC(=O)C(CC(=O)c1ccccc1N)N,0.22383878352577316
+CCCC[C@H](CN)CC,0.06826251894936469
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.5618765289329631
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.916723180665359
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.39061728050355843
+CC(=O)OC[C@@H](CO)O,0.2567670301335667
+ClC/C=C\Cl,0.9135063207339683
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.599189668802783
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.7201988166556476
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8698468210430931
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.03822249484608786
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.15929352880507372
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.1116027163467127
+c1scc(n1)c1nc2c([nH]1)cccc2,0.7576845482878041
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.518546545698855
+OCc1ccc(cc1)C(F)(F)F,0.1795521994315419
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.38990669567802955
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.08690300814219253
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9891727707506154
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.806008403579742
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.14359903001233937
+NC1c2ccccc2-c2c1cccc2,0.6958501890995945
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.13292130815874378
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.18078127615804057
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.4571773586446721
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.41653991387638817
+CN(c1ccc(cc1)N(C)C)C,0.39667130864752226
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.22588098088975458
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8807018045894498
+O=NN(C(=N)N[N+](=O)[O-])C,0.8215492534441574
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.8973343071453527
+Clc1cccc(n1)Cl,0.22746447651429086
+CC(O)C,0.049908558016120326
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.44427881972673505
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.15347874205014606
+Nc1cccc(c1)[N+](=O)[O-],0.7262277183239484
+Fc1cccc2c1ccc1c2cccn1,0.7991703019471841
+CC(OC(=O)C(=C)C)C,0.22482771131794366
+N1CCN(CC1)c1ccccc1,0.611917176492218
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.011868477955186505
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6719530434399561
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9396403383811939
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.2141417282249569
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.33195351124477784
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.1516321408713172
+OCC(C(C(C1SCCN1N=O)O)O)O,0.5617634780816834
+CNc1ccc2c(c1C)ncc(n2)C,0.6554617895968031
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.6055289737510284
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7344458623785751
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5649366538881893
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.22070746863529292
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7052045575791691
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.6081561709922618
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.712739197604364
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.7449944898593054
+COC(=O)C,0.2307668123377659
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9254049040969426
+ON1CN(Cl)CN(C1)Cl,0.4636027791777614
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9438877004924817
+OC(=O)/C=C/c1ccc(cc1)N,0.21671722403594493
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.38199924509642785
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.2787036760461764
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.09800536334473389
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.7814922533478426
+OCC(CO)(CO)CO,0.04092163485134864
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.8763101182737618
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9538484909398638
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.3262103523216337
+O=NN(COC(=O)C)C,0.8926014338341406
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9121838071806285
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9456507640907379
+O=NN1CCN(CC1)N=O,0.9255386840615506
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.03200895098707023
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.43669554290532114
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.9391280449076845
+NCC(=O)O,0.12754846131650519
+Nc1ccc(cc1)O,0.3240190768575369
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.37057610577797667
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8820322120426751
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.8234744972116986
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9374281335903765
+CC(=O)Nc1cccc(c1C(=O)O)N,0.5360744175668914
+OCCC(C)C,0.0204744933194139
+c1ccc(cc1)N=Nc1ccccc1,0.5751402848387829
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.43556998898043003
+CC(=O)Nc1cccc(c1)N,0.46740600551990696
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.06616742357916851
+CCCN(CCCC(=O)O)N=O,0.627782114397247
+CC(c1ccc(nc1)C(F)(F)F)O,0.0753900274724581
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.07848741008377731
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.4926692233173329
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7708756301194079
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.7132459448632208
+COc1nc2c(CBr)cccc2nc1OC,0.45394157316978584
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.5595531092786099
+ClCC1=CC(=O)OC1,0.8514982808385193
+CC(O[P@@](=O)(F)C)C,0.09813243566592361
+C=CC(=O)OC[C@H]1CO1,0.8521022191677389
+CCCCCCCCCCCCOC[C@@H]1OC1,0.6998784027534684
+BrN1C(=O)CCC1=O,0.8944130869209485
+OCCCCO,0.07818078029907899
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.7243591367302735
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.08903562464206917
+O=C1c2ccccc2CCc2c1cccc2,0.1213446718322361
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.2696160407773744
+O=NN1CCC[C@@H](C1)O,0.8347161263157777
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.178736231268024
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.6849668649620967
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6325883423222053
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.054960841945342856
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9712885292146753
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.8352604673156456
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.43616454495303647
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.07211393822131767
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.22562707395990278
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9301043259546122
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.23425373417939255
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.09360087177624968
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9316877669072955
+OCC(Cl)Cl,0.8406666270505329
+NC(=O)O[C@H]1CO1,0.9178314129664528
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.25027597433181087
+NC(=N)c1ccccc1,0.2687746969337658
+Sc1[nH]cnc2-c1ncn2,0.25084930865072924
+Cc1ccc(cc1)N(C)C,0.5341094930803298
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.8469176449289109
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.8932167205684179
+Nc1ncnc2c1ncn2C,0.7923635706958586
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.01132199302527953
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7372417886026725
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.7854465045172544
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.733964001359333
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.9394383123774283
+C(C1OC1)Cc1ccccc1,0.8798834920127843
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.535034306813625
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.0796420136375871
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9244553478157838
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.8875768722343106
+CCCN(N=O)CCC,0.7177227739154163
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8641526733613071
+COc1c(N)cc(c(c1C)N)C,0.6333182582268363
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.037642766805387515
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9242746055971229
+COc1cc(ccc1OC)C[C@H]1CO1,0.7064343467620658
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.11386637128434736
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.8646022062228658
+OC(=O)CCCOc1ccc(cc1C)Cl,0.06736416711708533
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9435035065149686
+C=CC1CC2CC1C=C2,0.05402245136217848
+[O-][N+](=O)[C@@H](CO)C,0.647333624345249
+CSCNc1ccccc1C(=O)C,0.4618190594549915
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.7482003074157725
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.03720947477387147
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.3846353808135245
+Clc1ccc2c(c1)oc1c2cccc1,0.6079924582151143
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8940542084324141
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.6156800270631075
+CN(C(=O)NC)N=O,0.868250496824843
+Cc1ccccc1c1ccccc1,0.43275852099104806
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.2364038834500876
+COC=C,0.12613218084875677
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.7370520060542273
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8458351655230387
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9373174226532407
+CC(C(C)C)C,0.10174824593727484
+Cc1ccc(cc1)CC[C@@H]1OC1,0.7907775909909704
+Nc1ccc(cc1)c1ccccc1,0.7139482840834421
+C[n+]1cccc(c1)C(=O)O,0.052006563573930256
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7881288620964955
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9329966099148792
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.3221907707451012
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.911237164835664
+BrC(C1=C(Br)C(=O)OC1)Br,0.9752354856706617
+c1scc(n1)c1nc2c([nH]1)cccc2,0.7576845482878041
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.7970400582255912
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.757501813878802
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.20181179564767188
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.09463251032503069
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.7752163805998623
+Nc1ccc(c(c1)C)C,0.44409246297852634
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.13397708155538413
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.4972066539398335
+ClCCP(=O)(O)O,0.6910454217804628
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.06838682921777707
+CCN(c1ccc(c(c1)O)N=O)CC,0.8054794837963312
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.04698613574426929
+ClCCC(CBr)Br,0.866107395735224
+CN([N+](=O)[O-])C,0.7909936932972619
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.5016391455542075
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.4868680470372622
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.5507378017403789
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.799659332798057
+C=CCN=C=S,0.44763845535226593
+Fc1ccc(c2c1ccc1c2nccc1)F,0.6738093314130694
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.8551861294590125
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.16202802647132702
+OCCc1cn(c2c1cccc2)N=O,0.9252700191703204
+CCOCOCC,0.15476633760781264
+CC(C[C@H](N)C)C,0.08031517053490006
+CC(=O)N(C)C,0.5941804893880088
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.18649949691024195
+COc1ccc(cc1)CN(N=O)C,0.8752847294804456
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.7333367146600879
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.11319157096824212
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.74501557211177
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.8016650738979558
+ClC/C=C/CCl,0.8418981741831782
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.14846479509232702
+ClCc1ccncc1,0.7176109518763529
+CNC(=O)c1ccccc1,0.17564175210102287
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.8123554524670806
+CCCCCCCCCCCl,0.13837304539747117
+Cn1sc(cc1=O)Cl,0.7662901313524229
+BrC1=C(Br)C(=O)OC1,0.7879812078811211
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5049450462019314
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.2640333648611611
+CCOC(=O)N(N=O)CC,0.8674177830494268
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.17289583684390578
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.4524401871334968
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.15190505897241569
+COC(=O)c1ccccc1N,0.322348146765761
+ClC[C@](CBr)(Br)C,0.6187607506435846
+COc1ccccc1CC1CO1,0.759438399786964
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.5920510474523936
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.07810956620049082
+CN1CCC[C@@H]1c1cccnc1,0.06761706580634358
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.22251917307238525
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.6357387964972112
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.7625949463246766
+ClC[C@H](Cl)C,0.548951554043497
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.5139266694689089
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.9114745502549833
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.8377826458623645
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.6745544636872067
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.6569273877152025
+Oc1ccc2c(c1)cc[nH]2,0.27109514097297316
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9756293535959303
+CNC(=O)N(C(=O)NC)O,0.20667803371045046
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.887542257396781
+OCc1ccc(cc1[N+](=O)[O-])N,0.7566313066369945
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.550924217346671
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.16356363099401292
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7992965158737513
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.3620049028814991
+CCCc1ccc2c(c1)OCO2,0.4387217942325214
+Nc1cccc(c1)C(F)(F)F,0.47686080085941424
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.17724706240342938
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.6178206130101114
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.7587940586486869
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7254787387215
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.07929427490608602
+BrC(C1=C(Br)C(=O)OC1O)Br,0.919361913521976
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.1162256889689414
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7738404834304402
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.20513497496838184
+NCCCNCCCN,0.6562737972063766
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.7466018461414405
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6589651805979657
+CCOC(=O)CNC(=O)C(Br)C,0.7682569820722012
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.9482181804881952
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.1782389192983272
+OC(=O)c1cccc2c1snn2,0.5715450720018642
+ONc1ccc2c(c1)cccc2,0.9073584918015211
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.685283242825487
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5993839308281985
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9778230295001296
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.06261380810568533
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.6381662504830973
+COc1nsc2c1cc(OCC1CO1)cc2,0.9468138810060692
+Cc1ccccc1c1nc2c(o1)cccc2,0.3596488902118053
+Oc1ncc(c(n1)O)F,0.0919144826950664
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.07231043617171753
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.2637205770630946
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.7274672436118561
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.013870814256694291
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6427261376394897
+C1CCC2C(C1)CC1(CC2)CO1,0.4119454801064889
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.156120780476179
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.7219859197600264
+C[n+]1ccc(cc1)c1ccccc1,0.1338258649736809
+NC(=O)Nc1cccc2c1nccc2,0.4354229176482407
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.47663442219060276
+CCC1OC1c1ccccc1,0.6618299764321072
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.8899124908544755
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.6753415900137434
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.4829885815489299
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4015930159739883
+Sc1ncnc2c1[nH]cn2,0.33244137658279105
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.6912048755154996
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.7681209534144487
+O=CN(c1ccc2c(c1)cccc2)O,0.9331265530880741
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7564313992483889
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.7930808118764
+C1CCCO1,0.09402434461446169
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.29014484661253714
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.41936921206838407
+FC(C(C(Cl)(F)F)(F)F)Cl,0.3358020125529259
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.6264678581937204
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8191259653431099
+CCCCCN(CCCCC)CCCCC,0.056855915351490746
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9313178007209422
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.023340419957248004
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08182852909497265
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.5931573288569041
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9413076914323186
+OCc1ccc(cc1)[N+](=O)[O-],0.8356682316640717
+COCCOCCO,0.276628607189166
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.15253347879231774
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8908779500970918
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.91502664053836
+CN1CN(C)CSC1=S,0.21490976345087082
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.02034214293684871
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.563838926512954
+CCP(=O)(OCC)OCC,0.3227573117381662
+OC/C=C/Cl,0.9317604885599926
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.13194052476682244
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.44611599601787466
+O=NN(C(=O)C)C,0.9077401654001028
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.10233647365047939
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.7424993046261572
+N#C/C=C\C#N,0.6384425443266721
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.738318652366616
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.3081251798597902
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.3279649707261374
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.7094532665413807
+C/C=C/C=O,0.4684992624946007
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.056838044910612034
+CCCSSCC=C,0.18442152885031135
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.08050531294552646
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.07224210052072305
+Brc1ccc(cc1)c1ccccc1,0.12053487385240182
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7408389476069936
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.6055444276552732
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.5808157220448914
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9474425109211244
+S=C1NCCN1,0.19691694060298431
+CCC(=O)O,0.060982995115834084
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8035700347859651
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9535029558141315
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.19921963969582968
+Nc1ccc2c(c1)c1ccccc1n2C,0.9681758773952731
+OC(=O)CCC(=O)CC(=O)C,0.22534994050776602
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.6588442417385768
+O=C(c1ccccc1N)OC1CCCCC1,0.07372490814563236
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.2747700553048473
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9485271831248795
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5857062561134435
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.1050203194930788
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.44865490748334386
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.10329292302046243
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.39257782055483165
+CCc1ccco1,0.3578636626142826
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.14780207983230903
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.35274878703660406
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.6183052180513778
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.01995750180626411
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8911994907439523
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.7056007895081731
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.2112135618510118
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.364943693389521
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.25707698249420236
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.6966780799895834
+NCCNCCNCCN,0.7231255003275923
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9795119832115419
+NCP(=O)(O)O,0.11454035572031207
+COC(=O)CC(=O)OC,0.11004167079550979
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.032398968247700353
+Nc1ccc(cc1)Nc1ccccc1,0.7695473350323364
+C/C=C\C=C/C=O,0.6474729155062476
+OC(=O)c1cccc(c1)C(F)(F)F,0.04640511636765626
+CC(C[C@H](O)C)C,0.026634710637748738
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.564277383490792
+COc1ccccc1N,0.4730109873548858
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9564277597432822
+OC(=O)CCN=N#N,0.8199258689021075
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8006304073989652
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.8543650175651604
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.6409686818849607
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.29860123784705267
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.34546129933197184
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.2007329791246022
+FC(n1c(C)n[nH]c1=O)F,0.6197767361413863
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.34297965205972136
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.8104555826516638
+O=C=NC1CCCCC1,0.3160035291139535
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.945681917311631
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.899044302568722
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.8583442503113445
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.22846970808185296
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9393413449326021
+C[C@@H](ON=O)CC,0.8258257323788663
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.603935792420302
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9644863237607396
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.9603376561836292
+CC(CC(=O)C)C,0.055232004131415886
+CCCCCCCC(=O)O,0.03164818960947233
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9561644281088908
+COc1cc(ccc1N)[N+](=O)[O-],0.8642247605972111
+OCCN1CN(CCO)CN(C1)CCO,0.14955828058497872
+OC(=O)c1ccc(cc1)N,0.21951312742003662
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.3248278384035924
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.21446554767682435
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8660213196077562
+OC(=O)c1ccc(cc1)C,0.09968694899234197
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.07995534626663361
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8062099859578175
+ON(c1ccccc1)C(=O)C,0.45135110483315105
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8568558501525494
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.9185203782932434
+OCCCl,0.8354928635304122
+CNC(=O)CSP(=S)(OC)OC,0.42090573246082996
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.14356739600426444
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4430445837152996
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9745014857767614
+OCc1c2ccccc2cc2c1cccc2,0.8203624410036366
+[O-][n+]1cccc2c1C=CC1C2O1,0.7842985477457475
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.1937602838545208
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9004278937619083
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.08035883707788073
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.8188333107901606
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.44772698936918526
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.8831505925838449
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.18124668978974673
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.09671020146875133
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.198269713407529
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.4203229247696244
+CCCCCCCCCCCCCCCCCCN,0.11295253623202184
+Cc1ccccc1Br,0.06511707504988881
+COC=O,0.6632723386570043
+OCCCCN(CCO)N=O,0.9322575016437142
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.30191652840225985
+CC(=C)C#N,0.16012825938485675
+BrCC(=O)Nc1ccc(cc1)C,0.7962535919424952
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9455404922234125
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.0728739429212509
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.9164132553872094
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.12680497051120912
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.12958033779264536
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.1344621301458822
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8641526733613071
+CCCCON=O,0.8745639791561761
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9198495534126363
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8609750178019018
+CC1CCC2CC1C2(C)C,0.06546036152907761
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.7444191694429528
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.15369736347874688
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.29024166176120586
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.4304661989310885
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7989711150803603
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.23858834023916178
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.26156518135220186
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.6720329267289422
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.5068394925704613
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.8867113717909623
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.7000613888083054
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.049000767500421816
+CCC(c1ccc(cc1)O)(C)C,0.052743427328457125
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.49988809033324116
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.8757828680667014
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9247838929927216
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0330725330320839
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5946522370042852
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.07069387062707681
+ClCCCBr,0.9037555761658859
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.44197104878560406
+ONc1nc(N)nc2c1nc[nH]2,0.49086043214502934
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.09739536144362557
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.4337996891137936
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.344648553795208
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3390809415333305
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.021818466646803616
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9816706222517408
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.8254596684577602
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.6810121307385815
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.5519781053984455
+OC(=O)c1ccccc1S(=O)(=O)N,0.07552011299426348
+Cc1c(C)cccc1N,0.5951335928729872
+CCOC(=O)CC(=O)C,0.2571436170758206
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.967599372529488
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.16508251289025752
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.7185696589151387
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9314540593138068
+Clc1ccc2c(c1)nsc2N,0.7404025998377333
+CCCCB(CCCC)CCCC,0.006130821610023511
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.2556741053101273
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8685033214036408
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.0541271579102516
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8398501097485457
+COC(=O)C(CSCCCl)N,0.826513779587621
+CNCC(=O)O,0.07024155603962953
+Sc1ccccc1,0.11110308220154262
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.013499820667948458
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8081334066576883
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9632630610827652
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.8637249531815443
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.6187048915969265
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7324627222545772
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.5045896697817113
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.9128692110123683
+COCCl,0.8284261311438839
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.16838946530256485
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.03936879721443988
+COc1cc(/N=N/c2ccccc2)ccc1N,0.920794286536305
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7514544887983924
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5025409754424653
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.6645381526300257
+O1C2C1c1cscc1-c1c2csc1,0.9632969329455789
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.0023086063686436667
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8962758128463854
+SCCc1cnccn1,0.21212854945505838
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.19260179147945705
+C=COCC(F)(F)F,0.08275288473413507
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8811160757077316
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.16376969002843791
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9778528197157496
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9595367599672324
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6320467510492792
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9097376355973097
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.008007297426332473
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.7851717240212437
+OC(=O)CCC(=O)O.[Na+].[Na+],0.033328069263459235
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.8869444657525637
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.08602655501618015
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.32261103527170326
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.831524435522984
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.7140430341772783
+OCCNc1ccc(c(c1)O)C,0.5969593987859292
+C[C@H]1CS1,0.9044306773429936
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.6346639979065394
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7208013686180705
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.01889037761337442
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9463132734392086
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.239542203481135
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.12273597282552622
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.18226646557019457
+CNCCCC(=O)O,0.12312917473792917
+CCSCCOP(=S)(OC)OC,0.32616023764174185
+Cc1ccc(cc1)NN=NCc1ccccc1,0.7916243581358382
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.35105418411984823
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9286150743048726
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.1327113859967939
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.97209262881511
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9929851988932935
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.12959436394227103
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.7420717656083431
+O=C(c1ccccc1O)Oc1ccccc1,0.1453512129115205
+Nc1ccc2c(c1)s[nH]c2=O,0.5931071929966614
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.6674398088807701
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.9323510161379226
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.26404065914534836
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.5796231448013845
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.13269469302438217
+O=NN1CCSCC1,0.9129234946400617
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.07893085319889216
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.016793791185462887
+Cc1cccc(c1)N,0.4735800450392012
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7761153495265383
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.18352942759999116
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.5306467011376156
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.8843311167247173
+OC(=O)Cc1ccc(cc1)N,0.1188374164721721
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8756856236432826
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.6525720675603607
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.8912269262566237
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.019846643850625827
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7603125961420751
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.7696153320783796
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.4077541142204083
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.1484871475498094
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.13700276983246992
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.33990397342782536
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.6006326963785573
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.9007839516466937
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.8951159285219381
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.7494789272496368
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.714446481929381
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.10208519202762582
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.015238940399047468
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.5561551036456951
+c1ccc2c(c1)snc2,0.5159145385777255
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.332609113077696
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.9253960065295419
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.1696349008585797
+CN(c1ccncc1)C,0.34318962259394215
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.7397147991449936
+O=C1CSC(=S)N1,0.10840784370773678
+CCOC(=O)C(=O)C,0.4701662900826519
+OCc1ccc(cc1)Cl,0.30108688775427195
+Cc1cccc2-c3c(C(c12)C)cccc3,0.4129527062715818
+Sc1ncc(c(n1)O)C,0.14222809349110813
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.4315508517690376
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.552011474875602
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7567894910300889
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.6895706420077182
+Nc1scc(n1)c1cccnc1,0.7795262393142668
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.03251775605544979
+Cc1nsc(c1)N.Cl,0.5076586658130596
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.12134875812540948
+OC(=O)CCCCC(=O)O,0.07109428540634234
+C[N+](Cc1ccccc1)(C)C.Cl,0.05070422283870645
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.7276991933125061
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.00702538466051645
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.04553527658456592
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.6879903346633229
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.04358846252790186
+CC=C,0.03670498382427755
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8873949059053295
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6713348234494189
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.15476055061375227
+C[C@H](C(=O)NCc1ccccc1)Br,0.6651501978566838
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.018607561555588133
+NC(=O)CCCCC(=O)N,0.5527790830078902
+C[C@H](CN)O,0.05363891252636272
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.8648542349845991
+O[C@@H](c1ccccc1)C#N,0.10316277064826719
+O=C1CCCCC1=O,0.14717873057692513
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7419022824868869
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.04663728228112291
+CCc1ccc(nc1)C(F)(F)F,0.04866785191601259
+CC(OS(=O)(=O)C)C,0.5083875495567494
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9225349393245305
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2540467176817573
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8270909951851231
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.4241036406692967
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.26881357693463953
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.6177336290592131
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.8972371910055496
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.937391949245558
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.3877539931918664
+C=Cc1ccncc1,0.13916058941985043
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.14747406973377974
+OCC([N+](=O)[O-])(CO)Br,0.845713532427958
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.5308704618218362
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1512488674942472
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8999972033322534
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.31895971360465564
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9789311501245341
+Cc1ccc(cc1)/N=N/N(C)C,0.6411183074939989
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.8685079579339605
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.6189535205333192
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9686671202861529
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.13803359533648746
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.42630284890236686
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6950729789674807
+C[n+]1cccc(c1)OC(=O)N(C)C,0.15623648328055226
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.17062870785981432
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.8429942005448815
+CC12OOC2(C)c2c(O1)cccc2,0.45885028495712404
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6731273784674903
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.18388132757178408
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.547351467981539
+OC(=O)c1ccccc1,0.08099252338963127
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9251477901751751
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5401249654579755
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.8771091495692256
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.12250954150214971
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5265041796290576
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9574877157079246
+CNC(=O)ON,0.7471279338620834
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.7942114667124829
+FC(C1=C(C=N[N]1)C(=O)O)F,0.1915127519054097
+OC(=O)c1ccc(cc1)C(=O)O,0.0872112662411325
+Cc1c2ccccc2cc2c1cccc2,0.8104763785844601
+ONc1cccc2c1cccc2,0.8465406928460492
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7921234166428212
+C=CCc1ccc(cc1)O,0.26051699888674446
+CCOCC(=O)O,0.3586863536317454
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.12899336593454916
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.15805537623826582
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.9064022944428264
+O1CC1Cc1ccccc1,0.5976366302875731
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.07943586644021035
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.18962762850393738
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.35102349338362027
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.1841569959212885
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.07847039620600865
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.07341567284601253
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.8500615997727221
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.34362015590936484
+CCCCCCNCCCCCC,0.20820072740058806
+O=NN(Cc1ccccc1)C,0.8079330789851852
+CCNCC,0.12605149453363867
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.882208551568299
+Cc1ccc2c(c1)cccc2C,0.401769367286306
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.22618679715192158
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.2190085174308347
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.25316410131700345
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.013909110054238989
+ClC(=O)c1ccccc1C(=O)Cl,0.4574791556595373
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9178254605307476
+OCCC(CCC=C(C)C)C,0.09917818067290031
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9316683830427187
+Clc1ccc(c(c1)C(=O)O)Cl,0.09869680774704169
+N[C@H](C(=O)O)CSCc1ccccc1,0.14761515378605475
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.33264547443015263
+COCCOC(=O)C,0.28939100029965337
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.24744100744405023
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.032360250139801185
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.13604983530345865
+N#Cc1cccc(c1)[N+](=O)[O-],0.7447945389952487
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.2959967196024251
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.8372959992747728
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.12176404324007149
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9672130210249266
+CN(C(=N)N(C)C)C,0.3093991923896773
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.2594961072150338
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.28902280619390797
+NC(=NC(=N)N)NCCc1ccccc1,0.3333619734597745
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.924728098537539
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7397653857792617
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.02338723957088984
+CC(=O)NC(C(=O)O)CSCCCl,0.6894722260526666
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.5043132977601895
+COc1c2ccccc2nc2c1cco2,0.43461610303182185
+OCCCBr,0.9478798436419643
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.2973093163849215
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.1672231549041226
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.025589656284758136
+n1ccncc1,0.21169442496404026
+CC1(OC1)c1ccc(cc1)Cl,0.5245487815541681
+OC(=O)CP(=O)(O)C,0.018905272850512536
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6361127341069834
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.6999064200225847
+N#[N+]c1nc[nH]c1C(=O)N,0.8325462976294997
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.3546705494261734
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9789014353535526
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.4293973890475384
+NC(C(=O)O)COC(=O)C=N#N,0.7398733265915101
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.3591080236572356
+Clc1ccccn1,0.36811224732809533
+Nc1nc(N)nc(n1)Cl,0.5747740026754224
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.030143343870173676
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.8258118061693509
+Cc1cccc2c1-c1ccccc1C2C,0.5285070433372411
+ClCc1ccccc1,0.5115543546582975
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.7777085125595161
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.6265407172371291
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.2411853851979283
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9637123445784247
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.05909104051617384
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.6510996453263608
+O=c1ccc2c(o1)cc1c(c2)cco1,0.7005043342733236
+OC(=O)c1cccc(c1N)O,0.3458223543670079
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.2279898139764033
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9112257824795833
+CC12CCC(C2(C)C)CC1(C)O,0.008003841987545455
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.7184202125161856
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8951503630481314
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.2552891778863161
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.22091213384969297
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9657809394204523
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.48061134772850733
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8418096094036575
+Nc1cc2nc3ccccc3nc2cc1O,0.8584826499290635
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9688878848578134
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.23240634879775735
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9440607462348279
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.3699311120070153
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.07565026221887934
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.02315549473445752
+COC(=O)c1ccccc1NC,0.2511703035211829
+OC[C@H]1CCCO1,0.2612761272016324
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.10581631478728656
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.846207163626903
+CC(=O)Nc1ccc(cc1)C(=O)O,0.14900946029940762
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9257745785858483
+O=NN1CCNCC1,0.8887719731193044
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.5718032363784011
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.846456577397272
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.79232235064736
+CCOc1nc(NC(=O)N)nc(n1)NC,0.23133629051830407
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.08479894782740217
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.3058724724892566
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.10349299742052066
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.17862637925113337
+C=CCC[C@H]1CO1,0.8397679805299765
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.052171443342943234
+S=c1scc(s1)c1ccccc1,0.04952904234753604
+Brc1cc(Br)c(c(c1)Br)O,0.11996385726362714
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3018664524749904
+O=C(C(=O)c1ccccc1)c1ccccc1,0.15393546328081006
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.715674831794504
+Cc1cc(=O)[nH]c(=S)[nH]1,0.1407078709742018
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8530817372248557
+N#Cc1ccc2c(c1)nc([nH]2)N,0.624408297826981
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.3073075407562649
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.19698726444940617
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.05429122039918608
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9290914137753068
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.18120753105933834
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8784020403489913
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.4569127323327367
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.6632149296703007
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.10413204080954148
+ClCCNc1ccc(cc1)CCCC(=O)O,0.3348403168350971
+O=NN1CSCC1,0.9551329517186165
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.8432613009746501
+c1ccc2c(c1)[nH]cc2,0.543837321069894
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.03639302815061888
+C1CNCCO1,0.1335853718848701
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.25196104692260174
+O=C(c1ccccc1)/C=C/c1ccccc1,0.27644101644245694
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.7369614690932612
+N#CC1=Cc2c3c1cccc3ccc2,0.5490940812303833
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8786768499193193
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.634354020153153
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.22648532980213038
+COP(=O)(OC)O,0.18243051507769495
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7961414378990688
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.6846082041265568
+BrCCOC(=O)C=C,0.8555341750743071
+CC(COC(=O)c1ccccc1N)C,0.22741066599338136
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9523153240707726
+C#CCOCC[n+]1ccccc1/C=N/O,0.24755105453573245
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.2354935370756135
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9806629614717496
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.16528352997006698
+Oc1ccc(c(c1)C(C)(C)C)O,0.16737445787754063
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.8149118568881477
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.012695788955023862
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.857803441555521
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.12478531388123694
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.24621391380332008
+O=NN1CCCCCCC1,0.8273330392221526
+O=C1c2ccccc2C(=O)C1(O)O,0.13004099657693813
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.4863175123568904
+Fc1ccc(c2c1nccc2)F,0.2604026087982394
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.39628058244877346
+CC/N=N/O.[K+],0.8694422265124698
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9363062419552143
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.08945303883808836
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.08355834217872897
+Oc1cccc2c1cccc2,0.4443913614393678
+c1cccnc1,0.43621832933400756
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.5951003197146768
+Cc1ccc2c(c1)nc([nH]2)N,0.33419735377092474
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.4947338267789605
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6473638540354
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.27400290053738613
+OC(=O)/C=C/C(=O)CC(=O)C,0.3758059479436147
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.3722237503722515
+OC1CC=Cc2c1nccc2,0.26662985092324404
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.6017318125248338
+CN(/N=N/c1ccc(cc1)Cl)C,0.5518155224658992
+O=C1CCCCCN1,0.07504914834005949
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.18501874704406895
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9881954788962428
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.21116213825677202
+CCNC(=O)CC[C@@H](C(=O)O)N,0.17534288542459867
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.017121185404308875
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9557590742576321
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.7329360300512648
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.17196288887526232
+N#Cc1cccc2c1nccc2,0.4210818020431456
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.8495464245341776
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.7498540446459536
+C(C1OC1)CC1OC1,0.7207971105442349
+OCC(=O)CO,0.178738121785881
+N=C(NC(=N)N)NCCc1ccccc1,0.23499360450279252
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.12557407090470632
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.4641619115474291
+CNc1ccccc1,0.321635510206365
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.7380217817028427
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.2302149310984539
+NC(=S)Nc1cccc2c1cccc2,0.8923168309469685
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8410220095243239
+N#CCC[C@H](C#N)C,0.17785482278066292
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.6173799265854911
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.8068291341351811
+c1ccc(cc1)c1ccccc1c1ccccc1,0.4249313760759142
+N#Cc1ccc(cc1)C1(C)OC1,0.8424485604262971
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.6424983881093322
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.6253971187052694
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.2779434304689157
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.2847678083368441
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.827820047501312
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.6351732209137517
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.1617721903376432
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9249115044193391
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.15751071980031495
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.09665398818380196
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.23634030310911794
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4340156197017364
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6620235752697904
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.1134684724235746
+Nc1ccc2c(n1)c1ccccc1cc2,0.9378633191776546
+C/C(=C\C)/C#N,0.3209978578823764
+N#N=NCCC(c1ccccc1)c1ccccc1,0.6596472277647001
+Nc1ccc2c(n1)cccc2,0.7272885715728272
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9119078812824366
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8714698034339644
+O=C(C1OC1)Nc1ccccc1,0.8473461978279139
+O=c1ccoc(c1O)C,0.4786828966145114
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.28594167216710814
+Nc1cccc2c1cccc2N,0.8787772657643875
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.6657710795256173
+COc1cc(C=O)ccc1O,0.43063807590221076
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.24530455890888997
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9643161793055908
+ONc1cc(C)cc(c1)C,0.5841231539916393
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8844363479227673
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.7612329457409716
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.24374662501856592
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.7850916572782506
+Cc1cc(nc(n1)N)C1CC1,0.6036546217827585
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8866396980026574
+CC1CCCC2(C1(O)CCCC2)C,0.02987066188193112
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.5715067098405372
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9314954188818971
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.19683618987612747
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.297008774288054
+NC1=N[C@@H](CS1)C(=O)O,0.1671833919408559
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.7964078661719765
+O=NN1CCOCC1,0.8848300348018875
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9144852354041226
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.4126924818638274
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.37695345373877276
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.17779764980489365
+OCc1ccc(cc1)C#N,0.3665064031434245
+CSCCC(C(=O)O)N,0.21908051266912343
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8897879833798913
+CC(=O)OC=C,0.24457658357514186
+Clc1cc2ccccc2c2c1cccc2,0.7420537007171897
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.4022892993630931
+Nc1ccc2c(-c3ccccc3C2)c1,0.848642849139865
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.8337434479603675
+CCCCCCCCCCCC[C@H]1CO1,0.4674586768677461
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.9047546465173723
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8733086342975728
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9376256649017121
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.42789397660868206
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9678363404989786
+OCCNC(=O)[C@H](O)C,0.5607841768845985
+COc1cc(C=O)ccc1OC,0.48414785533955657
+C=CCN(CC=C)CC=C,0.2656848204688852
+O=NN(CCCC(c1cccnc1)O)C,0.3691855586662501
+CCCCC/C(=C/c1ccccc1)/C=O,0.281769110788639
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9011554930640233
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.1121798481498782
+NNc1nncc2c1cccn2,0.8987750874113362
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9282157030092031
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.939926162121893
+CCOC(=O)N(CCOC(=O)C)N=O,0.8944475916754132
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6589657140579326
+Cc1c(C)cccc1C,0.06509785052735848
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.5027849332076416
+CCOC(=O)CC(C)C,0.1428071214193455
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.43087725212076317
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.08084565952563941
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.21147098013550064
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.9113059008387654
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.8628805562799094
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.7964110361467749
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.13271214994558583
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.3332170398432494
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.18112781152552326
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9305898197738036
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.9687106718219334
+ClCCN(C(=O)NCC(=O)N)N=O,0.970694549413764
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9442315902184455
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.39052978047387665
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8666490997722286
+COCCOCCOC,0.25447750337355396
+Oc1ccc2c(c1)nccc2,0.25509606736803
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.10011521807737782
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.4715967931839302
+CC(OC(=O)Cc1ccccc1)C,0.07431186190022934
+Fc1cnc2c(c1)c1ccccc1cc2,0.7534243803341849
+O=CCCN(C(=O)OCC)N=O,0.899311085808472
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9907270433769099
+c1ccc2c(c1)c1ccccc1cc2,0.8893742186658762
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.03033445831344656
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.712838034111345
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6753201736574578
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.7349597484072927
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.9214668922512564
+O[C@H]1C=CC=C[C@@H]1O,0.17498244861374043
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9052526454525599
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9742456025707006
+C=CC(=C)Cl,0.17138267054619716
+N=c1nc[nH][nH]1,0.2308130718185075
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.6946397529201865
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.7595266575732736
+COc1c2cc(OC)ccc2nc2c1cco2,0.5486421289822461
+FC(OC(C(F)(F)F)Cl)F,0.36838181428962047
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.7487804911540875
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8978113379436341
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.6326944929737234
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.9053664888296364
+ONc1cc2c([nH]1)cccc2,0.7161909838860742
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.31038432754815776
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9555666827112441
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.07757841699606208
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.42563319378656284
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.9105726883124915
+CCCC,0.20200474991261133
+N#Cc1ccc(cc1)[N+](=O)[O-],0.6035909087335677
+Cc1ccc(cc1)C(N)C,0.2377169075173771
+O=CN(C)C,0.44832295887680707
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.3331999875696638
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.26681190388681747
+BrC(=C)C(=O)O,0.1489135690884999
+Clc1ccc(cc1)S(=O)C,0.14188401913370183
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.037492862411795835
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.7230607966772413
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.18477277447687465
+Cc1ccc(o1)C=O,0.41235628074833863
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.13953320095285396
+O=C/C=C/C=C/C=O,0.6329169737680471
+Oc1nnc(c(n1)O)C,0.20640937291596392
+ClCc1c2ccccc2cc2c1cccc2,0.939297028761194
+COc1cc(N)cc(c1N)OC,0.4868238731948841
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.12354755202746112
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.9468475049016261
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9636671638296935
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9643810485264716
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.4703270626539806
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.07704285009820269
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.8775379027388565
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8375541862073892
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.04183909975935989
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7953187479296353
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.21159141130660442
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.18933648561814462
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.6487925557294617
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8021582320043253
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.32257254911592814
+CCSCCSP(=O)(OC)OC,0.6975494164160352
+N#CC(=Cc1ccccc1Cl)C#N,0.6276278289409047
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5682105286086879
+O=C1OC(=O)c2c1cccc2,0.10925296605673201
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.5181942354067107
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.22658465739601735
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.05850277103495497
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.19272511864865216
+OOC(C)(C)C,0.4219929695649195
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.5611763426919435
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.07461455911167116
+O=Nc1nccn1C,0.8700770000352904
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8330383954877242
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.2509962460919841
+OS(=O)(=O)c1cccc2c1nccc2,0.17528411451282905
+OC(=O)Cc1ccccc1Cl,0.07174921313734434
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7831927315718766
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.19633275888414375
+Nc1ccc(cc1)Oc1ccccc1,0.47474470974382116
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.0905304038438067
+N#CC(C(C#N)(C)C)(C)C,0.037950317862175356
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.11754233171113686
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.11003174719239571
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.9245038510314016
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9546278125210905
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.06468947725652624
+Cn1c(N)nc2c1cc1ccncc1n2,0.885577628789501
+CCCCCN(N=O)CCCCC,0.5769707994991404
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.29721001917776513
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.024492889652206307
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.09786598357654154
+Nc1[nH]cnc2-c1ncn2,0.3866336521200486
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.07034924517224157
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7652808422801566
+OCCNCCO,0.35499404385997535
+NC(=O)c1ccccc1O,0.2857305466004047
+OCC(=O)O,0.13120111719178904
+c1ccc2c(c1)c(ccc2)CC1CO1,0.9072908790311321
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.7188078775656632
+OC1OC(=O)C(=C1C)Cl,0.43247958408429843
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9313570909274563
+CC1OC(C)CN(C1)N=O,0.9164298639580228
+COP(=O)(SC)OC,0.8238495138984648
+COc1cc(OC)c(cc1C1OC1C)OC,0.6047940311736718
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.28730500846759655
+CC(COS(=O)(=O)c1ccccc1)C,0.17697507515257294
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.12361809067442889
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9616863443731754
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.08533606054484691
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.7696333324459179
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.8763289641120414
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.1978466090718288
+CCCCC/C=C/C=C/C=O,0.5039944563912713
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.45317365639428164
+COc1cc(=O)[nH]c(=O)[nH]1,0.3136048849991084
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.45651427973971703
+OC(=O)COc1ccc(cc1C)Cl,0.15389910141592786
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9692419531108735
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.22122406065922043
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.12690882104289464
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.056560487842285644
+NCC(=O)Nc1ccccc1.Cl,0.3537259171629593
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.8906025723997214
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.4342969292902973
+CCCCCCCCCCCCOS(=O)(=O)O,0.11320669517654465
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.04725615471480124
+OOC(N=NC)(C)C,0.9270555928064537
+CCCCC/C(=C\c1ccccc1)/C=O,0.281769110788639
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.09150179039526979
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.17977647733506674
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.36622121098176424
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5735371389929907
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.20855206192690073
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.18221082469638628
+Nc1cccc2c1snc2Cl,0.88723115375264
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.6608937909686765
+Nc1ccc(cc1)Sc1ccccc1,0.41974145457353673
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.5232350598535325
+Oc1ccc(c(c1)O)C(=O)O,0.12362877477882049
+Nc1cccc2c1c1ccccc1cc2,0.9289010790064133
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.9060311489725887
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5714550801613085
+CC(CC(=O)CC(C)C)C,0.02121734562157428
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.8973933411595678
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.3232096618406613
+CO[P@](=O)(NC(=O)C)SC,0.6355006392552429
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6901744392368682
+ClCC(CCl)Br,0.8032112288898692
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.6504876582905843
+Nc1sc2c(n1)c(C)ccc2,0.8614896204725963
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.8987996081850258
+Clc1cc(O)c(c(c1)Cl)Cl,0.09041441151927304
+OC(=O)[C@H](O)C.[Na+],0.14378405580765372
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.8198023079011911
+COc1cccc(c1C(=O)N)OC,0.13977968963698098
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.11959343156441808
+FC(Oc1ccc(cc1)N)(F)F,0.3979459400069149
+C[n+]1c2ccccc2cc2c1cccc2N,0.9036291585473101
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.7651072747248138
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.13879158153871352
+OC1=C(O)C(=O)C1=O,0.4047555036774043
+ClCCOC(=O)Cl,0.9261039165233815
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.09175322816507257
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6719267825906865
+CC(=O)NNC(=O)c1ccccn1,0.23758395731989862
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.910994804421114
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.28436189436192383
+CCC(=O)O.[Na+],0.05830173847521252
+C=CCc1ccc(c(c1)OC)OC,0.3030745918275078
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.3650143689671996
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.946977201531774
+N#Cc1ccccc1,0.10833010847654262
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.03268147505311702
+BrCc1ccc(cc1)CBr,0.3441132888762041
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.07780771763612299
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.07913944808308236
+COCC=O,0.3530285870065403
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.8761638662096506
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.862822146621548
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4874489828171466
+[O-][N+](=O)c1nccn1C,0.9248118374616436
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.09756055934377669
+CC(Nc1ccccc1)C,0.19717185763099845
+[O-][N+](=O)c1cccc2c1cccc2C,0.9052708867292122
+O=C1NOCC1(C)C,0.41759548229524696
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.8213965918828141
+C=CC(=O)OC(C)(C)C,0.15075922581725693
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9585698946407692
+Fc1ccc2c(c1)sc(n2)C(O)C,0.5823118708185745
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8441079205799196
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8032130098991884
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.16376801203691588
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.16032892901641685
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.7525036773948717
+O=C1NCC[n+]2c1cccc2,0.1621238535974105
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7958165184656169
+O=NN(C(=O)N)C,0.8166838684878065
+CCN=NC(OO)(C)C,0.8973281642243883
+ONc1ncnc2c1nc[nH]2,0.31531428587654
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.32089840832385
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8559900689273281
+CNC(=O)O/N=C\C(SC)(C)C,0.2507357463990627
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.7238662885277956
+CCC(=O)Nc1snc2c1cccc2,0.21509049526923707
+COc1nncc2c1nccc2,0.396151009194259
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9600498658794859
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9585985759022517
+ClC(c1ccccc1)Cl,0.7446453941686645
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8434172942903643
+CCCC[C@H](COS(=O)(=O)O)CC,0.29895902061363683
+CC(C1CCC2(CC1)OC2)(C)C,0.170725731205528
+Nc1ccc2c(n1)n1ccccc1n2,0.8269257227190474
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.5244837915240622
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9301035181831956
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.32997722931534135
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.9466160563115831
+OC(=O)C(Cl)(Cl)Cl,0.6197343102411468
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.982181707572817
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.5010043294627522
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.8009725947008882
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8928292078390877
+[O-][N+](=O)c1cccc(c1N)O,0.8353217546565636
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.680540092354271
+ClC1OC1CBr,0.9941823720668072
+CN(C(=S)SSC(=S)N(C)C)C,0.47858968576699096
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8573731019796291
+[O-][N+](=O)c1cccc2c1csn2,0.7675188995161527
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.9485575562914498
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.7874128375251466
+NCC[C@H](N)C,0.2092701684477579
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9778247114709326
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8811064167592976
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.25290975826570733
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.5321434286885968
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.7423280162123824
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.6683271507214036
+CSCNc1ccccc1,0.2861570186016049
+Fc1ccnc2c1cccc2,0.35510312662516536
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.1667934749394954
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.1897351485355688
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.23985164685079205
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.12403055676179374
+COc1nc(C)nc(n1)N,0.17638334888028512
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.2578886102118442
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.8329303707563182
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.8846634086115226
+Fc1cccc2c1ccc1c2nccc1,0.7145440672698404
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.8064463412293886
+CCCCCN,0.1120713009068453
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2271929195740726
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9329334566061275
+CC(CC(=O)Nc1ccc(cc1)O)O,0.21390573876143956
+NCC=C,0.4484042775849582
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.05421802177442127
+Oc1cc2nnsc2c(c1)C(=O)O,0.44246659640102215
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9011554930640233
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.8338752015110485
+O=C/C(=C(/C(=O)O)\Br)/Br,0.4144326105971691
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6724903963548616
+CCCN(CCCCO)N=O,0.8186285509395725
+N#CCc1ccccc1,0.0768533002839841
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.20390270226314702
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.1315306860655768
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9559257195065461
+On1nnc2c1cccc2,0.44887887597016285
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8947953622607517
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.33930728493481943
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.32702736115759257
+C/N=N/O,0.834266717254265
+C/C=C/C=C/C(=O)O.[K+],0.3098758296785194
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.15780932585763058
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.11203610633416208
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9164298639580228
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.8591587725857828
+O/N=C/1\C=C/C(=N/O)/C=C1,0.8439560442271664
+OS(=O)(=O)c1ccccc1,0.08717932478356566
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.3272921970688144
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.55831532997719
+COC12OOC2(C)Oc2c1cccc2,0.5499998757243995
+Cc1ccc(cc1)[N+]#N,0.9047546465173723
+Oc1ccc(c2c1cccc2)O,0.5381798016136389
+OC(=O)c1ccccc1C,0.11637633912485215
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.12239547082117559
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.09794425031483181
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.3752352946941277
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.14113327084451183
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9696946632653943
+c1cnc2c(c1)C1OC1C=C2,0.6445227254916884
+C[C@@H]1CNC[C@H](O1)C,0.23252832197926693
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9382652176395744
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7866501101765336
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.3729162343408878
+C1CCCCCC2C(CCCC1)O2,0.3721224788744852
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.20259750712606997
+CC(CON=O)C,0.9123091116947842
+CNc1ccc(cc1)[N+](=O)[O-],0.8406931678277787
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8204632749155151
+ClCCCl,0.3235836505244175
+NC(=O)c1ccccc1,0.19831670502094698
+CC[n+]1c2ccccc2nc2c1cccc2,0.6664627710859186
+N1C2C1c1cscc1-c1c2csc1,0.9804734183388554
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7143486529934344
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.8275474290137373
+OCc1ccnc2c1cccc2,0.37900949167781267
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.7592844765991124
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.7284912916734171
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.06418432886406249
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.036853980784349864
+Nc1c2CCCCc2nc2c1cccc2,0.6274026326461528
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.9448020634771759
+Nc1ccc(cc1)Cl,0.5944055696301233
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9430201315714656
+c1ccc2c(n1)C1OC1C1C2O1,0.3935866071849026
+NCCNC(=O)c1ccc(cn1)Cl,0.3231225113119622
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.12795966188432897
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.26178934562127754
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.40117949371739536
+C[N+]1(C)CCOCC1,0.11463029743096047
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.5373958018649273
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.2412920035988979
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.2550093504242308
+Nc1ccc2c(c1)oc(=O)cc2C,0.5562983605943301
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.21364168857311416
+Nc1nc2c(n1C)ccc1c2cncc1,0.8973356415269133
+O=C1CC[C@H](N1C)c1cccnc1,0.12761285566562977
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.4375618587480379
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.44688466925212494
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.6135272972633268
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.23905162365086285
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8641437572857711
+COc1ccc(cc1)CNC(=O)C(Br)C,0.6842746063948736
+Clc1nnc(c2c1cccc2)Cl,0.5593027109494292
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.1658431383886002
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.9345310080601744
+c1ccc2c(c1)cnc1c2cccc1,0.8654143061457965
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.03356915107115982
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.052582337981213007
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.0224042312946851
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.3704240932315555
+[O-][N+](=O)[CH-]CCC,0.5638923169548116
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.04027320276884688
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.14625381266157708
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8930366685516802
+[O-][N+](=O)c1cncn1C,0.910098502827804
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9133007814615969
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.6753044725554581
+O1CCOCCOCCOCCOCCOCC1,0.2188386356558211
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.6761325631687722
+ClCc1ccccc1[N+](=O)[O-],0.8380450513578356
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6308376335017091
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.91705885964936
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.20781548687258974
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.34493774722984283
+CCOC(=O)CC(O)C,0.15779127557903183
+CC[C@H]1CO1,0.7322153922183611
+Nc1ncn[nH]1,0.20532913512672973
+CC(=O)Nc1ccc2c(c1)nccc2,0.4134988573788802
+OC/C(=C(/CO)\Br)/Br,0.35344848638458265
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.13141360810903588
+C[C@@H]1O[C@@H]1C,0.2751671480705168
+c1ccc(cc1)Nc1cccc2c1cccc2,0.6542046436065774
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.27823780199056486
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.39784497461511326
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.04356437675335498
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.4381429101230293
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.3699718301141935
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.19575222082573543
+NC(=O)c1cnccn1,0.2757104820136428
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.7684558074842867
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.04298493111996192
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.22708232005592704
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9660744160986494
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.07273895688422673
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.129492806398963
+CC12OOC1Oc1c2cccc1,0.7292354377253037
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.8814986380491192
+CCN=C=S,0.41636608673474895
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.20047249493580047
+ClCC(=O)OC(C)C,0.4311539425824964
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5407806316835475
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9770775999283231
+CCOP(=O)(SC(CC)C)SC(CC)C,0.242075146799339
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.1278230133004718
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8021582320043253
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.4771361500376707
+CN(N=Nc1ccc(cc1)Br)C,0.5241079157616958
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.01581449325885095
+COc1ccc(cc1)OC,0.15056757446572103
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.2659817318306035
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.06044282102979245
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.029126994323533852
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.611178270242236
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9015437379497852
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.47410568088192623
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7878183304808357
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.04861969722070135
+OCNC(=O)C=C,0.24259079868281963
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.7140991605955799
+[O-][N+](=O)c1cccc(c1C)N,0.8974428173929153
diff --git a/crossvalidations/cdk/tensorflow/pred.nn.v4.csv b/crossvalidations/cdk/tensorflow/pred.nn.v4.csv
new file mode 100644
index 0000000..68cd326
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/pred.nn.v4.csv
@@ -0,0 +1,8084 @@
+name,pred
+C1CC=C2C(C1)CCc1c2cccc1,0.5205028653144836
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.6978646516799927
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8977759480476379
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.8589335680007935
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.12661495804786682
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.6223307847976685
+CC(=C)C(Cl)C,0.32372817397117615
+Oc1ccc2c(c1)oc(=O)cc2C,0.16041789948940277
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.41672176122665405
+C1COCCS1,0.2541326880455017
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9795795679092407
+C/N=N/O.[K+],0.6999489068984985
+COC(=O)c1ccccc1C(=O)OC,0.13335785269737244
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7746294140815735
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.554275631904602
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7944881916046143
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.8474423289299011
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.06341773271560669
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.5743094086647034
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.8487995862960815
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.5145570039749146
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.4659440517425537
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.11760170757770538
+NNC(=O)N,0.7954349517822266
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.8279688954353333
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.12582828104496002
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.6234258413314819
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.28325769305229187
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.9653555154800415
+CN(C#N)N=O,0.9022814035415649
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.06888741254806519
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9064797163009644
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8380910754203796
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.03148125857114792
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9379557371139526
+O=C1C=CC(=O)c2c1c(O)ccc2,0.6041682958602905
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.7958179712295532
+Oc1cc2ccccc2c2c1cccc2,0.7408992052078247
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5916959047317505
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.05778341367840767
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.024683263152837753
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.7549256086349487
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.5206783413887024
+Cc1ccc2c(c1)nn[nH]2,0.8303579092025757
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.24751016497612
+ClC(=O)c1ccc(cc1)C,0.17146441340446472
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9816330671310425
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.14529483020305634
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.15365904569625854
+O=Nc1cc2OCOc2cc1O,0.39589688181877136
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.7264474034309387
+NCc1cccc(c1)CN,0.4153625965118408
+CC(COC(=O)C(=C)C)C,0.1956762969493866
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.2513839900493622
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.26544785499572754
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.09923534095287323
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9682427644729614
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.33326807618141174
+OC[C@@H](CCl)Cl,0.8891684412956238
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.5797081589698792
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.7011882662773132
+SC(=N/C=C/N=C(S)S)S,0.5411314964294434
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.14155720174312592
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.04939883574843407
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.03631235286593437
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.28234735131263733
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.8967603445053101
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.041015610098838806
+CCCCOC(=O)CCC,0.05861224979162216
+OC1=C(C)CCC1=O,0.22915473580360413
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9821917414665222
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9739530682563782
+BrC(=C)C(=O)C,0.4654453694820404
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8266884684562683
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.839337944984436
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.1164645329117775
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.4963619112968445
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.725023627281189
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9302068948745728
+OC(=O)C(Cc1ccc(cc1)O)N,0.1052602082490921
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.8836045265197754
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.38197439908981323
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.3087683320045471
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9165250658988953
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.4949907660484314
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.5126098394393921
+C1CCC[C@H]2[C@@H](CC1)O2,0.3924754858016968
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9482651948928833
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.5227898359298706
+CC(=O)Nc1ccnc2c1cccc2,0.5774101614952087
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.07251786440610886
+CNC(=O)ON.Cl,0.7758969068527222
+CCCCOCCOCCSC#N,0.4129599928855896
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.972366988658905
+OC(=O)C(CCl)Cl,0.48552972078323364
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8849460482597351
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8019697070121765
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.25018882751464844
+OC(=O)/C=C/c1ccc(cc1)Cl,0.031271833926439285
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.029431724920868874
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.7998713254928589
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.1274946928024292
+C=CCOC(=O)C=C,0.16148869693279266
+O/N=C(/c1ccc(c(c1)O)O)\N,0.8704880475997925
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9790953397750854
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.9295749664306641
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6428077816963196
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.10771238803863525
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.7951270937919617
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9415980577468872
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.4885892868041992
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9322470426559448
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.14878451824188232
+CCO,0.07278193533420563
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.3481003940105438
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.04058470577001572
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.8796413540840149
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.014104420319199562
+CCCCCCCCO,0.06125788763165474
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9722917675971985
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9521574974060059
+OCC(CO)O,0.5880088806152344
+NC(=O)NCC=C,0.4701928496360779
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.8728768229484558
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.19211739301681519
+O=NN1CCCC[C@H]1C,0.7056466341018677
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9031494855880737
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.25599315762519836
+n1ccc(cc1)c1ccncc1,0.24733051657676697
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.8706531524658203
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.3826732337474823
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.08726903051137924
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.1757257878780365
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.46354809403419495
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.9341618418693542
+Cc1c2ccccc2c(c2c1cccc2)C,0.8647931814193726
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8410840034484863
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.02814587391912937
+C[N+]1=CC=C(CC1)c1ccccc1,0.16065853834152222
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7452898025512695
+Cn1c(N)nc2c1cccc2,0.6926928758621216
+COc1ccc2c(c1)nc([nH]2)N,0.7835334539413452
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.7842972874641418
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.36805418133735657
+Nc1cccc(c1C)N.Cl.Cl,0.751854658126831
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.844306468963623
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9244106411933899
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.8254669904708862
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.8980819582939148
+C[C@H](CNC[C@H](O)C)O,0.1069374829530716
+O=Cc1ccc(c(c1)Cl)Cl,0.521302342414856
+ONc1ccc(c(c1)C)C,0.7410591840744019
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.13833819329738617
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9234544634819031
+CCCCN(COC(=O)C)N=O,0.9609947204589844
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.3201049864292145
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.968316912651062
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8768106698989868
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.825677216053009
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.08976530283689499
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.7420711517333984
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.2465955913066864
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.4122932553291321
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9164115190505981
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9696850776672363
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.08799535036087036
+OC(C(F)(F)F)C(F)(F)F,0.03754814341664314
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9500058889389038
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.7583373785018921
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.0914461761713028
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.6584976315498352
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.8824707269668579
+C=CC(=O)OCCCCCOC(=O)C=C,0.15623389184474945
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.9099003076553345
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.33438605070114136
+OC[C@@H](CBr)Br,0.8714456558227539
+Cc1ccc(c(c1O)C)C,0.11333532631397247
+ClN1C2C1c1ccccc1-c1c2cccc1,0.8942988514900208
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.18936625123023987
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.128963440656662
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.3547404408454895
+Fc1cnc2c(c1)cccc2,0.5510429739952087
+O=CC=C(C)C,0.38114625215530396
+O=Nc1cccc(c1C)[N+](=O)[O-],0.7282905578613281
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.7674175500869751
+CC(=O)Nc1ccc2c(n1)cccc2,0.5938749313354492
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.34689921140670776
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.16798630356788635
+ClC(C(Cl)(Cl)Cl)Cl,0.2614162862300873
+[O-][N+](=O)c1cccc(c1N)N,0.8483569025993347
+COC(=O)c1ccc(cc1)C(=O)OC,0.29405492544174194
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3015037178993225
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.1811884194612503
+BrC(C(Br)(Br)Br)Br,0.4094688892364502
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9746607542037964
+CCNc1nc(NCC)nc(n1)Cl,0.05652281641960144
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.9234544634819031
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.122931107878685
+CCOC(C(=O)C(O)O)C,0.13834330439567566
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.6561686396598816
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.9216588735580444
+NCCc1cc(O)c(cc1O)O,0.6414843201637268
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9966592788696289
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.6963597536087036
+Nc1nc2-c3cccnc3CCc2s1,0.9339774250984192
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.4744885563850403
+[O-][N+](=O)c1ccccc1N,0.7005184888839722
+ClCCNCCCl,0.8039153814315796
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.3101172149181366
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.848138689994812
+Oc1ccc(cc1)[N+](=O)[O-],0.7647005915641785
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.021527638658881187
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.7230521440505981
+ONc1ncnc2c1ncn2Cc1ccccc1,0.6088837385177612
+O(Cc1ccccc1)C[C@H]1OC1,0.979789137840271
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.960681140422821
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.18846508860588074
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.39330944418907166
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.7094310522079468
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.959659218788147
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9767090082168579
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7755430936813354
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.09512202441692352
+Nc1cccc2c1nc1c(N)cccc1n2,0.911596953868866
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.22752061486244202
+COc1ccc(cc1)C=O,0.35480576753616333
+CN(C(=O)C#N)C,0.13042566180229187
+CCCC(=O)Nc1snc2c1cccc2,0.08139342069625854
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.40710291266441345
+Clc1ccc(cc1)[N+](=O)[O-],0.7328636050224304
+OCc1cccc(c1)[N+](=O)[O-],0.7493842244148254
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.07183283567428589
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.17582614719867706
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.16906993091106415
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.8429201245307922
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.11847571283578873
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.7348683476448059
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.7818795442581177
+CC/C=C/C=O,0.47065266966819763
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.08031764626502991
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.04372488707304001
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.21838483214378357
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8942988514900208
+CCCCCCCCBr,0.3196195960044861
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9711082577705383
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.07544133067131042
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.936903178691864
+C1CCC(CC1)N=C=NC1CCCCC1,0.1947329342365265
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8851996660232544
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.930689811706543
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.12797395884990692
+O=C1CCC(=O)O1,0.27855560183525085
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9331417083740234
+[O-][N+](=O)c1cccc2c1nsc2,0.8708076477050781
+CNC(=O)NO,0.4054420590400696
+Nc1ccc2c(c1)ccc1c2cccc1,0.9598246812820435
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.20611171424388885
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8193396329879761
+OC(=O)/C=C\C(=O)O,0.06438601762056351
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.015971021726727486
+CC(=O)OO,0.6343302130699158
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.6482715606689453
+COC(CCOC(=O)C)C,0.19323071837425232
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.372944176197052
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.877631664276123
+CCCC[C@H]1CO1,0.7265006899833679
+C1CC2OC2CCC2C1O2,0.4881667494773865
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8817094564437866
+Oc1c2ccccc2nc2c1cco2,0.6431077718734741
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9620750546455383
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.34664303064346313
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.3291234076023102
+Fc1ccc2c(c1)nccc2,0.6786751747131348
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8611940145492554
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9863672256469727
+Br[C@H](CBr)COC(=O)C=C,0.7339388132095337
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.2777566611766815
+ClCc1ccc(cc1)OC,0.5285325050354004
+ONc1cnc2c(c1C)nc1n2cccc1C,0.7939509153366089
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.7366691827774048
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7953760027885437
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.8082451820373535
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9029439091682434
+OC(=O)C[C@@H](C(=O)O)C,0.01877419650554657
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.9648536443710327
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.26071950793266296
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.039993755519390106
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.4722079336643219
+CC(Br)Br,0.5017011761665344
+Nc1cc2nc3ccccc3nc2cc1N,0.960220456123352
+Nc1ccc(c(c1)Cl)C.Cl,0.7591071128845215
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.05680949613451958
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9923321604728699
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.09719856083393097
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7535806894302368
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8518468737602234
+C=CCCC(C=O)CC,0.1263253390789032
+CC/C=C/[C@H](C=O)CC,0.14407239854335785
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9449214935302734
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.31847524642944336
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.6980459690093994
+O=C1NCCN1c1nccs1,0.06752771884202957
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.801271915435791
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8937528729438782
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.4900357723236084
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.22949251532554626
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.054540492594242096
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.8532214164733887
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.031987570226192474
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.04514610022306442
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.2923504710197449
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9432275891304016
+OCOC(C)(C)C,0.04255305603146553
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.9175001382827759
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.4197818338871002
+O=Cc1cccc(c1Cl)Cl,0.2889513373374939
+Clc1nc2ccccc2nc1Cl,0.15479034185409546
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7142636179924011
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.5973395705223083
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.11507586389780045
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9891234636306763
+ICCc1ccc(cc1)OCc1ccccc1,0.6427159309387207
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.9430920481681824
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.2089589387178421
+N#Cc1cccc(c1)C#N,0.23128154873847961
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.9001679420471191
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.9236007928848267
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.12874460220336914
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.927101731300354
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.5407098531723022
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8541498184204102
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.7827518582344055
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.7248324155807495
+C/C=C/c1ccc(cc1)OC,0.5854657888412476
+NNC(=O)CNC(=O)C=N#N,0.9422564506530762
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.10105001926422119
+Cc1ccc(cc1)N=NN(C)C,0.8674629926681519
+ClCCC(=O)N(c1snc2c1cccc2)C,0.2722587287425995
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8733478784561157
+CC(=O)Nc1cccc2c1nccc2,0.6152167320251465
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.8278848528862
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.1697814017534256
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.45758605003356934
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.42104512453079224
+BrCc1ccc(cc1)Br,0.19583579897880554
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.8249152302742004
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.3992255926132202
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.04506348446011543
+C/C=C/C,0.13043421506881714
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8563413619995117
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.8901039361953735
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.28963059186935425
+O=C1NC(=O)NC(=O)C1(O)O,0.11950172483921051
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.05709247663617134
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.9104368090629578
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8653241991996765
+Nc1nc2c(s1)ccc1c2cccn1,0.9648261070251465
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.0933113545179367
+CCCCOB(OCCCC)OCCCC,0.01805185154080391
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.26194703578948975
+CC(=O)c1ccc[nH]1,0.3391638398170471
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.155839204788208
+Clc1ccc2c(c1)nc([nH]2)N,0.5463745594024658
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.22023800015449524
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.22538232803344727
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.830243706703186
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.045286569744348526
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.42639651894569397
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.045588187873363495
+CCCCSCC[C@@H](C(=O)O)N,0.07374104857444763
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7833824157714844
+Cc1ccc2c(c1)nc(n2C)N,0.8296974301338196
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.928852379322052
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.06925193220376968
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.809624195098877
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.0841141790151596
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.16691172122955322
+c1cnc2c(c1)CCC1C2O1,0.3673350214958191
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.3215458393096924
+CCCCN(CC(=O)C)N=O,0.980697512626648
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.12003417313098907
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.8779523968696594
+ONc1ccc(cc1)Oc1ccccc1,0.8282084465026855
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9487029910087585
+CCOC(=O)CNC(=O)C(Br)(C)C,0.8062441945075989
+CCC/N=N/O.[K+],0.8244169354438782
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.6872761845588684
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.35184338688850403
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11109157651662827
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.81640625
+Cc1cccc2c1cc1ccccc1c2,0.9170304536819458
+Cn1ccnc1S,0.06772148609161377
+COc1cc(cc(c1O)OC)C(=O)C,0.3063720762729645
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.04931216314435005
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.45776596665382385
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.4682728350162506
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.782038688659668
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.6610867381095886
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.17085102200508118
+NCCNCCO,0.29473692178726196
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.8563395738601685
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.4345768988132477
+Cc1cccc(c1)N.Cl,0.7053276896476746
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.013494332320988178
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.9555226564407349
+CC(=O)Nc1ccc(cc1)N,0.8103310465812683
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.8900991678237915
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9592573046684265
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.6503046154975891
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.2287641018629074
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9526753425598145
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7825440168380737
+OC(=O)CCN[N+](C)(C)C,0.017405815422534943
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9821556806564331
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.33438605070114136
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.22508426010608673
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.03270300477743149
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.213302880525589
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.8061424493789673
+Clc1ccnc2c1cccc2,0.48846131563186646
+OCc1ccc(cc1)Br,0.1526658535003662
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.08312610536813736
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.916488766670227
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9316521883010864
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.014011007733643055
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.3774086534976959
+Cc1nc2c(nc1C)ccc(c2C)N,0.8831132054328918
+CC(c1ccccc1)Cl,0.32380929589271545
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.05326300859451294
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9872834086418152
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7502700090408325
+OCCN(CC(=O)O)N=O,0.8903235197067261
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.06806588917970657
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.21156761050224304
+C[Si](N=N#N)(C)C,0.7461455464363098
+O=Nc1ccc(cc1)N(C)C,0.8797224760055542
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.04070018604397774
+O=Nc1ccc(cc1)Sc1ccccc1,0.8418768048286438
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.8989189863204956
+COC(C)(C)C,0.10504840314388275
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.4688376486301422
+ClCCN(c1ccc(cc1)C)CCCl,0.8765875101089478
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.0568450503051281
+CCOCCOCCOCC,0.1990291029214859
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.6301692724227905
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.9168432354927063
+C/C=C(/C=O)\Cl,0.7241494059562683
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.23638668656349182
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.7629489898681641
+OC(=O)/C=C/c1c[nH]cn1,0.06941467523574829
+NC(C(=O)O)CSC(C(F)F)(F)F,0.12260393053293228
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.03353029116988182
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.650183379650116
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.163828045129776
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9647798538208008
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7976130247116089
+Clc1ccc(c(c1)Cl)N,0.6716389060020447
+CCCC[C@@H](C(=O)O)CC,0.011983590200543404
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.0654350221157074
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.145006462931633
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.13423487544059753
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.2582957446575165
+[N-]=[N+]=NC[C@@H](CO)O,0.9600335955619812
+CC1(CO1)C=C,0.4582633376121521
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7089677453041077
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.0277020875364542
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9059116244316101
+O=CN(c1ccc(cc1)c1ccccc1)O,0.7034947872161865
+CC(=O)CC(=O)C,0.07030018419027328
+OC1CC2C(C1(C)CC2)(C)C,0.04596918821334839
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.42548656463623047
+NC(C(=O)O)Cc1ccccc1,0.0676959827542305
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.7604498863220215
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8369482159614563
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7906787991523743
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.028600448742508888
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.7094690203666687
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.9306151270866394
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9788789749145508
+O/N=C/c1ccncc1,0.4943064749240875
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.15465988218784332
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8626890182495117
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9327045679092407
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9838727116584778
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7794848680496216
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.07670603692531586
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.36805418133735657
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.11692140251398087
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9198193550109863
+O1CCOCC1,0.18411608040332794
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.11746122688055038
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.037613749504089355
+c1ncn[nH]1,0.1286514401435852
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.1821710467338562
+C=CCCCC[C@@H]1OC1,0.6563607454299927
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.5039368271827698
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.5148618221282959
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.10839326679706573
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9013293385505676
+CN(N=O)CC,0.8132899403572083
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.3749992251396179
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.3173864185810089
+CC(=O)c1cccn1[N+](=O)[O-],0.8901165127754211
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7584719657897949
+Cl[C@H]1O[C@H]1CBr,0.9783828854560852
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.42635631561279297
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.14241886138916016
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.01121155358850956
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.3676537871360779
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8150621652603149
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.25608840584754944
+O=NN1CCC[C@@H](C1)C,0.9561406970024109
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8956229090690613
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.036821894347667694
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.15136678516864777
+OCC(=O)N(c1ccc(cc1)Cl)O,0.40216436982154846
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9601061940193176
+OC1c2ccccc2Oc2c1cccc2,0.27282100915908813
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.22389736771583557
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.4389234483242035
+ClCC(=O)Nc1c(CC)cccc1CC,0.24967141449451447
+Nc1nc2c(n1C)ccc1c2cccn1,0.9315211176872253
+Clc1cccc(c1NC1=NCCN1)Cl,0.08899322897195816
+CC(C(C)(C)C)OP(=O)(F)C,0.06237000226974487
+CCN(CCCC(=O)O)N=O,0.9617705345153809
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8750613927841187
+C=CCc1ccc2c(c1)OCO2,0.27618566155433655
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.11602123826742172
+OC(=O)/C=C/Cl,0.551740288734436
+O=CC=CNCCCCC(C(=O)O)N,0.3727914094924927
+CNc1ccccc1N,0.8480121493339539
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.007397404406219721
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.5824068784713745
+O=NN(Cc1ccccc1)Cc1ccccc1,0.8396044969558716
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.14027078449726105
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.3153592050075531
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.01789534091949463
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.07123292982578278
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.8826195597648621
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.05209008976817131
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9722874760627747
+Cc1cccc2c1nn[nH]2,0.8281214833259583
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.025910982862114906
+O=C1NS(=O)(=O)c2c1cccc2C,0.1915038675069809
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.08678784966468811
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.8862016797065735
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.8863493800163269
+OC(=O)c1cc(Cl)cc(c1)Cl,0.037305984646081924
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.9189589619636536
+Cc1ccc(c(c1)N)C,0.8245266079902649
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9905548095703125
+CCCNc1snc2c1cccc2,0.3615856170654297
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.8567852973937988
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.8945819139480591
+CC[C@H](c1ccccc1O)C,0.12183133512735367
+CNC(=O)NC,0.19485482573509216
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8778270483016968
+Nc1cccc(c1C)N,0.751854658126831
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.3270717263221741
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.22665822505950928
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.06438601762056351
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.07339069992303848
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.23175060749053955
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.04503609612584114
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.17119266092777252
+Fc1cccc2c1nccc2,0.5949817895889282
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.03895611688494682
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.18363134562969208
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.5088993906974792
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.7371178865432739
+OCC1CC1,0.4163576066493988
+ClCCN(C(=O)NC1CCCCC1)N=O,0.9723962545394897
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.7275711297988892
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.009629099629819393
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.46354809403419495
+CC/C=C/C,0.12166694551706314
+ClC(c1ccccc1)C(=O)Cl,0.6216771006584167
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.5276132822036743
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.2867951989173889
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.7011882662773132
+OCC(C(=O)O)N,0.27990636229515076
+OCC=C(CCC=C(C)C)C,0.13114295899868011
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9632146954536438
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.7559275031089783
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9477725028991699
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.7330480813980103
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.5848654508590698
+C=CCc1ccc(c(c1)O)O,0.37377628684043884
+FC[C@H]1CO1,0.9374931454658508
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.07236837595701218
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.1669834405183792
+CCCC(=O)Cl,0.4260977804660797
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8353501558303833
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.47333651781082153
+OC(=O)Cc1ccc(c(c1)O)O,0.056906990706920624
+CSCC(C(=O)O)N,0.046920619904994965
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.17346081137657166
+O=NN(CC(=O)O)CC(=O)O,0.33970004320144653
+OCC(Cl)(Cl)Cl,0.32903847098350525
+ClC(=O)c1c(Cl)cccc1Cl,0.4952356815338135
+Nc1cccc(c1)Cl,0.3207451403141022
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.13757383823394775
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.8054073452949524
+Clc1ccc(cc1)[S@](=O)C,0.22017379105091095
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.6747004985809326
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.5111223459243774
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.8174827694892883
+CCCCCCOC[C@H]1CO1,0.9330874681472778
+NC(C(=O)O)Cc1ncn[nH]1,0.04139430448412895
+Clc1ccc(c(c1)Cc1ccccc1)O,0.0711774230003357
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.915422260761261
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.7631794214248657
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.12478232383728027
+CC(=O)Nc1cccc2c1ncc(c2)F,0.4345149099826813
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7531331777572632
+O=NN1CCN([C@H](C1)C)N=O,0.9165662527084351
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.21937274932861328
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9300237894058228
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.7720648050308228
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.9210379719734192
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5087443590164185
+Nc1nccs1,0.5056069493293762
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.03873216733336449
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.8697455525398254
+O=C1C(O)CC(N1C)c1cccnc1,0.0742589458823204
+OCCCCN(N=O)C,0.9804878234863281
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9197049140930176
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.7836099863052368
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.16079431772232056
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.07784911245107651
+OCC[N+](C)(C)C,0.03681731969118118
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.6810020208358765
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.7120819091796875
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.8063441514968872
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.027800563722848892
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.013179397210478783
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8045086860656738
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6996489763259888
+FC(c1ccccc1)(F)F,0.15607251226902008
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.024403268471360207
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9650160074234009
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.8890326619148254
+Ic1cc(Cl)c2c(c1O)nccc2,0.16986088454723358
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.6364835500717163
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7298876047134399
+Fc1cc2cccnc2c(c1)F,0.5325420498847961
+Nc1cccc2c1ccc1c2cccc1,0.9489580988883972
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.7839440107345581
+CCCCN(CCC)N=O,0.9076799154281616
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.09569768607616425
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.011236876249313354
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8344685435295105
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.07455471158027649
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8792360424995422
+c1ccc2c(c1)[nH]nn2,0.6448075771331787
+O=NN1CCCN(CC1)N=O,0.8338610529899597
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.5375048518180847
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.7116302847862244
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.10437946021556854
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5327738523483276
+ON(c1ccc(cc1)Br)C(=O)C,0.5381162762641907
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.7500241994857788
+O/N=C/c1ccccn1,0.30776605010032654
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.04204718396067619
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.07300512492656708
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.915823757648468
+CC(OC(Cl)(C)C)(Cl)C,0.09110395610332489
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9543086886405945
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.8859958648681641
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.8228575587272644
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.18573938310146332
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.38339370489120483
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.16487520933151245
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.7349177598953247
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.06928150355815887
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8646035194396973
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.05821811407804489
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.8678824305534363
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.09285753965377808
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.26115643978118896
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.057682376354932785
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9574806094169617
+NCCc1c[nH]c2c1cccc2,0.6943711042404175
+CCN/N=N/CC,0.9364042282104492
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.5343780517578125
+Clc1cc(Cl)c(cc1O)Cl,0.11106880754232407
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.6772440671920776
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.0317331925034523
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.4157951772212982
+CCNc1snc2c1cccc2,0.8024861216545105
+CCCCCCCCCCC,0.038180042058229446
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7001203894615173
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.710938572883606
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.4549988806247711
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9524639844894409
+CCOC[C@H]1CO1,0.9034231901168823
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.48736149072647095
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.4790218472480774
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.5531619191169739
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.37308385968208313
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.3332563042640686
+COCCOC(=O)C=C,0.297795832157135
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.01971491612493992
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.8179312944412231
+Ic1cccc(c1)[N+](=O)[O-],0.6380047798156738
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.5331443548202515
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.0059493170119822025
+CC(=O)NN,0.7698680758476257
+CC(=O)C(=O)C,0.2364138662815094
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.7215622067451477
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9579290151596069
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.7832038998603821
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.7671723365783691
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.7841972708702087
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.5722256898880005
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.04965319111943245
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.2262665331363678
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9525728225708008
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.3943914771080017
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.11591553688049316
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5733331441879272
+CN=[N+](C)[O-],0.2655148208141327
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.7947059869766235
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.32743674516677856
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9556272625923157
+CCCCCCCCCC(=O)O,0.011592326685786247
+CC/C=C/CC/C=C/C=O,0.3905479907989502
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.04628732427954674
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.08950906991958618
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.853056788444519
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8530481457710266
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.07788378745317459
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.20983831584453583
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.8112106323242188
+OCc1ccco1,0.30490684509277344
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.7143829464912415
+OC(=O)C(=O)O,0.06718228757381439
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.8441540002822876
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.21168987452983856
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.08072567731142044
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.25654736161231995
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.881199061870575
+NC(=O)CBr,0.6168633699417114
+CCCCCC,0.08536550402641296
+NCCCCC(C(=O)O)N,0.07637826353311539
+Cc1cc(C)c(c(c1)C)C,0.05314745754003525
+Oc1ccc(c(c1)C)C,0.20821082592010498
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9119601249694824
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9582763910293579
+Cc1ccc(cc1)Cl,0.1069641262292862
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.21156840026378632
+O=C1C=CC(=O)N1,0.1435924470424652
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.7785259485244751
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.5959005355834961
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.2026071846485138
+CC(C(=O)NCc1ccccc1)Br,0.7604624032974243
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.7396142482757568
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9865131378173828
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.14084438979625702
+N[C@H](C(=O)NCC(=O)O)CS,0.7391517162322998
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.6389206647872925
+C[C@H](C(=O)NCC(=O)O)S,0.5426938533782959
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.971957802772522
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.3697451949119568
+ClCC(=O)Nc1snc2c1cccc2,0.6873556971549988
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9903460741043091
+CC(C(O)C)O,0.12132833898067474
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.22218039631843567
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.5075410604476929
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.053436726331710815
+ClCCNc1ccc(cc1)C,0.8929277658462524
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.045552290976047516
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.6769985556602478
+CNP(=O)(N(C)C)N(C)C,0.25565454363822937
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.06300917267799377
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.3810345530509949
+CC[C@@H](CN)O,0.24544993042945862
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.7137783169746399
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.05296887084841728
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.15932932496070862
+Brc1ccccc1,0.16622914373874664
+O(Cc1ccccc1)Cc1ccccc1,0.15589076280593872
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.8304598927497864
+OCC#CCO,0.126482293009758
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.8505865335464478
+O=C=Nc1cccc(c1C)N=C=O,0.5781763792037964
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.8900893330574036
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.2470104694366455
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.984856128692627
+OC(=O)CS,0.11522842943668365
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6087225675582886
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.9305521845817566
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.882307231426239
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.03642474114894867
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.9555267095565796
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.09529184550046921
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8499953150749207
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.12025417387485504
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7106878161430359
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9177618026733398
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.9331523776054382
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.05702192708849907
+C=CCOC(=O)COCCC(C)C,0.22369670867919922
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.7979913353919983
+CSC(/C=N\O)(C)C,0.3149878680706024
+ClC/C=C/Cl,0.9508919715881348
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8044627904891968
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7333841323852539
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.034770667552948
+FC(C(C(F)(F)F)F)F,0.10393992811441422
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8236883282661438
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.5025156736373901
+Clc1ccc(c(c1)O)Cl,0.08779861778020859
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.08961521089076996
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9446640014648438
+CCCCN(CCC(=O)C)N=O,0.9369052648544312
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.06364385783672333
+O=C1C=CC(=O)C=C1c1ccccc1,0.6129838228225708
+Clc1ccc(cc1N)C(F)(F)F,0.15819960832595825
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9775455594062805
+CCOP(=O)(N(C)C)C#N,0.23693330585956573
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9380660057067871
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.3068075478076935
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.7831447124481201
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.6077401041984558
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8378548622131348
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.04136549308896065
+O=NN1CSCC1C(=O)O,0.9888510704040527
+COP(=O)(OC)OC,0.30289459228515625
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9059189558029175
+CC(CO)Cl,0.7222861051559448
+C[n+]1c2ccccc2cc2c1cccc2,0.8268653750419617
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.9125717282295227
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.6721194386482239
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5647872090339661
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.9260938763618469
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.30040833353996277
+CC(N=C=NC(C)C)C,0.06872189044952393
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.6184204816818237
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.90801602602005
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9864507913589478
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.8429047465324402
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.4632638394832611
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.5719906091690063
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.04465663805603981
+Clc1cncc(c1)Cl,0.2713334858417511
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9950052499771118
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.3928050398826599
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8555182218551636
+CCCCCCCC(=O)Cl,0.18456408381462097
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.029518986120820045
+Cc1nc(N)nc(n1)N,0.23004750907421112
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.6810123920440674
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.5933250784873962
+NC(=O)OC1CO1,0.9839109182357788
+Cc1ccc(c(c1)C)C,0.0469900518655777
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.7142617106437683
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9982417821884155
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.7650734186172485
+O=C1C=CC(=O)C=C1,0.2098110020160675
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9295154809951782
+Cc1ccc(cc1)[C@H]1OC1,0.810340404510498
+ClC(=C1C=CC(=O)O1)Cl,0.8521787524223328
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8779708743095398
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.04273788630962372
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.5217279195785522
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7457758188247681
+CC(=O)c1ccccn1,0.22015723586082458
+S=C(NC1CCCCC1)NC1CCCCC1,0.030237659811973572
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.46058493852615356
+NNCCO,0.724725067615509
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9146888852119446
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.8840475082397461
+CCCN(C(=O)SCc1ccccc1)CCC,0.28039270639419556
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.35397717356681824
+Cc1cnc2c(n1)cccc2,0.5407172441482544
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.06592999398708344
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.018826130777597427
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.19854554533958435
+Nc1sc2c(n1)C1CCCNC1CC2,0.4357964098453522
+ONc1ccc2-c3c(Cc2c1)cccc3,0.9473163485527039
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9912626147270203
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.40885812044143677
+Nc1ccc(c(c1)N)Cl,0.5824626684188843
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.025392606854438782
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.7120815515518188
+N#CC1=C(SCCS1)C#N,0.13975825905799866
+C[C@H](CCC(=O)c1cocc1)O,0.12480529397726059
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8850202560424805
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.7123055458068848
+CC[C@H]([C@@H](CO)C)C,0.03936917334794998
+Fc1cc2cccnc2c2c1cccc2,0.8641689419746399
+Oc1ccc(cc1)c1ccc(cc1)O,0.16652876138687134
+FC(COc1nc(N)nc(n1)N)(F)F,0.08374758809804916
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.6169376373291016
+O1Cc2c(C1)cccc2,0.3032091557979584
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.33511313796043396
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.2731737196445465
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.1106080636382103
+CCON(C(=O)c1ccccc1)OC(=O)C,0.679819643497467
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.04274643212556839
+c1coc(c1)c1nc2c([nH]1)cccc2,0.24632856249809265
+Nc1ccccc1C(F)(F)F,0.23368802666664124
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.10274597257375717
+OC(=O)c1occc(=O)c1O,0.437497079372406
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.1437031477689743
+Cc1cc(N)c(cc1C)C,0.6664342284202576
+O=Nc1cccc(c1)C,0.670904815196991
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.6002543568611145
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.6253624558448792
+CC(=O)Nc1cnc2c(c1)cccc2,0.4807448387145996
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9955013394355774
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9987214207649231
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.7389668226242065
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.974163830280304
+C1CN2CCN1CC2,0.32890862226486206
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.05699138715863228
+FC(C(Cl)(F)F)(Cl)F,0.10579488426446915
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.07434756308794022
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.6277202367782593
+CNc1ccc2c(c1C)nc(cn2)C,0.7408000230789185
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.5773003101348877
+CCCCCCCCCCCCCCCCCCCC,0.05055634304881096
+CC1c2ccccc2-c2c1cccc2,0.519101619720459
+CCCOc1ccc(cc1N)N,0.7559652328491211
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6616684198379517
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.7692586779594421
+COc1cc(ccc1O)C[C@H]1CO1,0.847599983215332
+N1CCc2c(C1)cccc2,0.15076956152915955
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.633188784122467
+CNCCO,0.2587753236293793
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.04742986708879471
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9883731007575989
+Clc1ccc(c(c1)N)Cl,0.5949608683586121
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.06514066457748413
+BrCc1cccc(c1)[N+](=O)[O-],0.8778292536735535
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.2311176359653473
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.5634878277778625
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.249737948179245
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.11683143675327301
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.7163628935813904
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.5410502552986145
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.567123293876648
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.268682062625885
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.4496179223060608
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.7857165336608887
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.12072043120861053
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.09668903797864914
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.6844311952590942
+ClC[Si](C=C)(C)C,0.23382118344306946
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.17085832357406616
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.22546586394309998
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.14665156602859497
+CCNN=NCC,0.984958827495575
+O=C1N(C)CCCN1C,0.40558290481567383
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.12206907570362091
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.8066302537918091
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7373400926589966
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.0840739980340004
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.7481554746627808
+[O-][N+](=O)NC,0.7742853164672852
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.06547792255878448
+O=NN1CCO[C@H](C1)O,0.9703642725944519
+CCCCCCCCCCCCS,0.034471653401851654
+ONc1ccc(cc1)N=Nc1ccccc1,0.7922123670578003
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.8438803553581238
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.058844007551670074
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8974140882492065
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.9389079809188843
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.08326445519924164
+CCN,0.15169303119182587
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.5447570085525513
+OCCNC(=O)N(CCCl)N=O,0.9972483515739441
+CCOP(=S)(SCSC(C)(C)C)OCC,0.21603015065193176
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.9782950282096863
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.741602897644043
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.5100722312927246
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.3301224112510681
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8703600764274597
+CCCc1cc(O)nc(n1)S,0.10046631097793579
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9866061210632324
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.6748294830322266
+N#Cc1cccc(c1)C,0.11561751365661621
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9021590352058411
+FC(C(F)(F)F)C(F)(F)F,0.14636966586112976
+CC(=O)N,0.16958582401275635
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.03989697992801666
+[O-][N+](=O)c1c(C)cccc1C,0.48568788170814514
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.2353350818157196
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.8027973175048828
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.09417642652988434
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.68965744972229
+OCCCNC(=O)C(C(CO)(C)C)O,0.6041775941848755
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.6637610197067261
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.07139013707637787
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9200396537780762
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.7866194844245911
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.508703887462616
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.8302744030952454
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.6607645750045776
+OCCI,0.8584661483764648
+Nc1ccc2c(c1)c(Cl)ns2,0.6329789757728577
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8037067651748657
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.08632213622331619
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.7594223618507385
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.8866966962814331
+Nc1ccc(c(c1)N)O,0.6833853721618652
+C/C(=N\O)/C(=O)C,0.3141232430934906
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.4925763010978699
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.12562204897403717
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.6255987286567688
+OC(C(=O)O)Cn1cncn1,0.3803742229938507
+CCOC(=O)N,0.43430978059768677
+NCCCCCCN,0.1732567697763443
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.3731573522090912
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.18438301980495453
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.059166450053453445
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.11195909976959229
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.06924070417881012
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.2762123942375183
+OCc1ccccc1,0.15436293184757233
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.2488551139831543
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.6601513028144836
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.935374915599823
+CCCCCCCCCCCCCCCCN,0.027850985527038574
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.21796946227550507
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.6995110511779785
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8852353096008301
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.06514744460582733
+O=C(c1ccccc1)c1ccccc1,0.25631237030029297
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.04273788630962372
+NS(=O)(=O)c1ncn[nH]1,0.15592637658119202
+OCCP(=O)(O)O,0.04654257744550705
+C[N+]1(C)CCOCC1.Cl,0.15457996726036072
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.12342540174722672
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7478064298629761
+[O-][N+](=O)NC(=N)NC,0.5267090797424316
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.8417641520500183
+O=Nc1ccc2c(c1)cccc2,0.9291875958442688
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9730569124221802
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.09600238502025604
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.8209737539291382
+ClC[C@@H](CBr)Br,0.971926212310791
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.12453210353851318
+ONc1cccc(c1)c1ccccc1,0.7850021123886108
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9219799041748047
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9695914387702942
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7859386205673218
+C1CCC2(CC1)CO2,0.27019360661506653
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.8257465362548828
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9741994142532349
+C=CC(=C)C,0.22148704528808594
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9872013926506042
+Cn1c(N)nc2c1c1cccnc1cc2,0.9687536358833313
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.9045354127883911
+Fc1ccccn1,0.04360727593302727
+C=CN1CCCC1=O,0.44619321823120117
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9302057027816772
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9958282709121704
+CC(CCON=O)C,0.7551979422569275
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.057427484542131424
+OC(=O)c1sccc1S(=O)(=O)N,0.04163834825158119
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8331384658813477
+O=C1C=C(O)c2c(C1=O)cccc2,0.4769088625907898
+NNc1ccccc1,0.9360011219978333
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.8109855651855469
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.08227667957544327
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.2041405737400055
+Clc1cccc2c1cccc2,0.464545875787735
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.5975499749183655
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.9066421389579773
+C=CC(=O)NCCCN(C)C,0.08851327002048492
+O=Cc1ccccc1C,0.36152544617652893
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.036220718175172806
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.8199987411499023
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.963598370552063
+COc1cc(OC)[nH]c(=O)n1,0.2488773614168167
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7545605897903442
+COc1cccc(c1)[N+](=O)[O-],0.581644594669342
+CCCCc1c(=O)nc([nH]c1C)NCC,0.1558266580104828
+ONc1[nH]cnc2-c1ncn2,0.3989531695842743
+Oc1ccc(cc1)c1ccccc1,0.4444446563720703
+C/C=C/c1ccc(cc1OC)OC,0.4607923924922943
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.38208380341529846
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.13812121748924255
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.7200413942337036
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9595402479171753
+CSCCl,0.6869454383850098
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9641979336738586
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.755396842956543
+COC(=O)C1=CCCN(C1)C,0.5730295777320862
+COC(=O)C(=C)C#N,0.10735934972763062
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.7777068614959717
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.0481201633810997
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9569318890571594
+NC(C(S)(C)C)C(=O)O,0.09612101316452026
+CC(N)(C)C,0.12272538244724274
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8699741363525391
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.7097629308700562
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.7887998223304749
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.14148758351802826
+OCCNC(=O)C(O)C,0.6932523250579834
+OCc1ccc(cc1)OC,0.1647806614637375
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.044923875480890274
+CC1(OC1)c1ccc(cc1)Br,0.5915268063545227
+OCCN(CC)CC,0.12315966933965683
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.17024406790733337
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.971210777759552
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.7878201603889465
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.04275760427117348
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.6921190023422241
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.7214876413345337
+CCCC/C=C/C=O,0.2184663712978363
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.11174873262643814
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.7369779348373413
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9920744895935059
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.23940813541412354
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.2331206351518631
+Cc1ccc(c(c1)C)N,0.84344083070755
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.043020881712436676
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8325809240341187
+C1O[C@H]1C=O,0.8537378311157227
+C[N+](CC1OC1)(C)C,0.9588538408279419
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.18299686908721924
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.3737906515598297
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.4167810380458832
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.07333355396986008
+CCOc1ccc(cc1)N=O,0.7946269512176514
+CC(=O)C=C,0.33614152669906616
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.37431102991104126
+C1C2SCC=CN2C1=O,0.561320960521698
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.7879926562309265
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.3857460021972656
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.79449063539505
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.9635969400405884
+OC[C@H](O)C,0.2206994742155075
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.6236170530319214
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.2992286682128906
+N#CC(=C(C#N)C#N)C#N,0.0522526279091835
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.5628584623336792
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.916384220123291
+NCCNCCNCCNCCNCCN,0.7567130923271179
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7981768846511841
+OC(=O)C=C,0.11727960407733917
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.9777426719665527
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.8128598928451538
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9800171852111816
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9813844561576843
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.22659814357757568
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.49891361594200134
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.608161449432373
+CCCCOCCOCCO,0.3106086254119873
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.12345778942108154
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.0667850598692894
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.25734615325927734
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.08327759802341461
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.073713518679142
+[O-][N+](=O)c1cccc2c1snc2,0.9028326272964478
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.7571653127670288
+C1CCCN1,0.07485312223434448
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.8696653246879578
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.812676727771759
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.9124611020088196
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.4916178286075592
+COc1cc(O)nc(n1)NC(=O)N,0.1222577691078186
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.8312444686889648
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.851920485496521
+Fc1cc(F)c2c(c1)nccc2,0.41838568449020386
+CCCCN(CC)CC,0.051630277186632156
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.2731143832206726
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9179415702819824
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.8799790143966675
+ONc1ccc(cc1)Sc1ccccc1,0.589941143989563
+OC[C@H]1CO1,0.9303969144821167
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7561486959457397
+ClC(C(C(F)(F)F)(F)F)Cl,0.34392428398132324
+O=NN(CC(=O)C)C,0.9847551584243774
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7055540680885315
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.08330205827951431
+S=C=NCCc1ccccc1,0.31380751729011536
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.99858558177948
+CCOc1nc(N)nc(n1)N,0.09157087653875351
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.982742428779602
+Cc1nccnc1C,0.21941156685352325
+CS(=O)(=O)C,0.41727346181869507
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.06193883344531059
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.16469097137451172
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.9087535738945007
+Nc1ccc2c(c1)cccn2,0.8536365628242493
+CC1OC(C)OC(OC(O1)C)C,0.13710078597068787
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.027850771322846413
+Nn1c2ccncc2c2c1cccc2,0.9589091539382935
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.34743058681488037
+COC(CC(=O)C)(C)C,0.46537408232688904
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.4298889636993408
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.5187801122665405
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.8088865280151367
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.1843680441379547
+N#C/C(=C(/C#N)\N)/N,0.5631581544876099
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.6962990164756775
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.19361348450183868
+ONc1ccc(cc1)Cl,0.7707258462905884
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.5534950494766235
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.13569293916225433
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6569279432296753
+ONC(=O)c1ccc2c(c1)cccc2,0.8857221603393555
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.04530194774270058
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.4595865309238434
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8910028338432312
+CCCCCCCCC(=O)OCC=C,0.04671860486268997
+Fc1ccc(c2c1ccc1c2cccn1)F,0.9082347750663757
+O1C[C@@H]1[C@@H]1OC1,0.9430591464042664
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.07854803651571274
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7202437520027161
+NN(c1ccccc1)c1ccccc1,0.8158284425735474
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.8883398175239563
+Cc1cc(C)c(c(c1)C)N,0.662997305393219
+CC(=C)C(=O)OCCO,0.2520407438278198
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.029294878244400024
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.5068753957748413
+CCCCCCCCCCCCCCCCCC(=O)O,0.010664904490113258
+CCCC(=O)OC1CCCCC1,0.055951524525880814
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.5100722312927246
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.9097232818603516
+COc1cc(N)ccc1N,0.8013060688972473
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.07843397557735443
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7905358076095581
+N#Cc1ccc(cc1)C(=O)O,0.03968494385480881
+CC1=CC[C@H](CC1)C(=C)C,0.044843100011348724
+COC(=O)CCl,0.5363960266113281
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.23820550739765167
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.29815995693206787
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.5261597037315369
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.21534545719623566
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.987230658531189
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.9841946363449097
+ClCc1ccc(cc1)OC(=O)C,0.24061505496501923
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.5381146669387817
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.1767125427722931
+Nc1ccccc1c1ccccc1.Cl,0.6958142518997192
+CC(C(=O)NCc1ccccc1)Cl,0.7319270372390747
+ClCC(F)(F)F,0.03401007130742073
+CCCCCC[N+](=O)[O-],0.10766474157571793
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9879148602485657
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.8158004879951477
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.7333734035491943
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.30300623178482056
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.7604643702507019
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8532769083976746
+CC(C(=O)O)N,0.09354797750711441
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.18780632317066193
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.27597302198410034
+BrCC=C,0.9038936495780945
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.4757966101169586
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.13847750425338745
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9768872261047363
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.9557679295539856
+Oc1cnc2c(c1)cccc2,0.330305278301239
+CCCCOS(=O)(=O)C,0.5703754425048828
+Sc1ncnc2c1[nH]cn2.O,0.41155362129211426
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.04970990866422653
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.4293563961982727
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.4809883236885071
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.19412054121494293
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.7473667860031128
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.7517795562744141
+C=C[C@H]1CCC=CC1,0.049708105623722076
+O=Cc1ccc(cc1)[N+](=O)[O-],0.8821657299995422
+COC(=O)CCCC(=O)OC,0.09868164360523224
+CCc1ccc(nc1)C,0.08220947533845901
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.8466294407844543
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.5498544573783875
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.1514168083667755
+O/N=C/C1N(CCN(C)C)C=CN1C,0.5343767404556274
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.01745862327516079
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.9507611989974976
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.1147909164428711
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.17271016538143158
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.43366217613220215
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.9149523973464966
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.05021369457244873
+Sc1ccc(cc1)[N+](=O)[O-],0.7860040068626404
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.45511746406555176
+CC(=C)C,0.3034753203392029
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7316851615905762
+Nc1ccc(cc1Cl)C(F)(F)F,0.20816846191883087
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.08510904759168625
+S(Cc1ccccc1)SCc1ccccc1,0.05173705890774727
+OCC(COP(=O)(O)O)O,0.16918997466564178
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.06689587980508804
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.5835152864456177
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.027610504999756813
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.09412098675966263
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8643839955329895
+O=C(C1(C)OC1)Nc1ccccc1,0.8682900667190552
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7892798185348511
+c1ccc2-c3c(Cc2c1)cccc3,0.305446594953537
+C[C@]1(OC1)c1ccccc1,0.5356813669204712
+OC(=O)C[C@H](C(=O)O)O,0.043349288403987885
+O=C([C@]1(C)OC1)NCc1ccccc1,0.8758217096328735
+CCCCOC(=O)c1cccc2c1nccc2,0.20344996452331543
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.793449878692627
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7977185249328613
+O=NN(c1ccccc1)c1ccccc1,0.7047313451766968
+CN(Cc1ccccc1)C,0.06790147721767426
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9631250500679016
+O=NN1CCOC(C1)O,0.9703642725944519
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.16495585441589355
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.11131973564624786
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.0685088038444519
+O=Cc1ccc(cc1)C,0.28449487686157227
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.15227274596691132
+CCCCN(/C(=N/O)/C=O)N=O,0.6379722356796265
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9737467765808105
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.6365838050842285
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.39924004673957825
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.5211681127548218
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.06035105139017105
+CCSCCSP(=S)(OC)OC,0.35403355956077576
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.055456288158893585
+C1CCCCC1,0.043294068425893784
+O=Cc1ccc2c(c1)OCO2,0.3422183394432068
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.995151698589325
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.04207349941134453
+COc1nsc2c1cccc2N,0.7678802609443665
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.047069061547517776
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9146712422370911
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9667884707450867
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5540269017219543
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06472082436084747
+NC(=O)c1ccccc1C,0.30137914419174194
+OCC(=O)Nc1c(CC)cccc1CC,0.2279987335205078
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7863461375236511
+C=CC(=O)c1ccc2c(c1)OCO2,0.36438149213790894
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.34028810262680054
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.9182147979736328
+Fc1ccc2c(n1)cccc2,0.46644410490989685
+CC/C=C\C#N,0.3449305593967438
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.11519353091716766
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.29450905323028564
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.3866617679595947
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.4093848168849945
+Clc1cc(Cl)nc(n1)Cl,0.16899541020393372
+ClC1CCN(CC1)N=O,0.9974755048751831
+CCCOO,0.9304021596908569
+OCC(C(c1ccccc1)N=N#N)O,0.6815450191497803
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.5865739583969116
+CCc1ccccc1O,0.0729094073176384
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.12890830636024475
+O=NN1CCCCCC1,0.823142409324646
+CCOC(=O)OCC,0.10591812431812286
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.27296939492225647
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.8715429306030273
+Nc1ccc(cc1)CCc1ccccc1,0.6161117553710938
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.752495527267456
+Cl/C=C(\C(Cl)Cl)/Cl,0.9622896313667297
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1192784532904625
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.13907228410243988
+c1ccc(cc1)c1nc2c(o1)cccc2,0.08951770514249802
+CCCBr,0.6186990737915039
+CCCCNCCCC,0.12333377450704575
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6668909192085266
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.04287230223417282
+BrCC(C)(C)C,0.4790113568305969
+ONc1ccccc1C,0.6063772439956665
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.1270565241575241
+OCc1ccc(o1)C=O,0.3513048589229584
+CNC(=S)N(C)C,0.35787251591682434
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.8767900466918945
+NC(=S)NCC=C,0.559883177280426
+Cn1c(N)nc2c1cc1cnccc1n2,0.906938910484314
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.01947156712412834
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.23020902276039124
+CC(Cc1ccccc1)N,0.08070860058069229
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.6846568584442139
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.8449398279190063
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9089801907539368
+CCC(=O)C,0.17743945121765137
+ClCc1ccc(cc1)C#N,0.7348836660385132
+Clc1cccc(c1)C(=O)O,0.04516521841287613
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.47320300340652466
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.6740938425064087
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.3805968165397644
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.12299926578998566
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.7755268812179565
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.04729796200990677
+CC(=O)N(c1snc2c1cccc2)C,0.4782412648200989
+Clc1c2ccccc2cc2c1cccc2,0.5212162733078003
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.14993341267108917
+O[C@@H](c1ccccc1)[C@H](N)C,0.08480024337768555
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.8644862174987793
+OC1CC[N+](CC1)(C)C.[Cl-],0.07131563127040863
+Cc1cc(nc(n1)O)C1CC1,0.16466741263866425
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.6980383992195129
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.8880592584609985
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.6217959523200989
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.6367794275283813
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8612921833992004
+CNC1Cc2cccc3c2c(C1)ccc3,0.6506056785583496
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.31762567162513733
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.839353084564209
+COc1ccc(cc1N)NOS(=O)(=O)O,0.3267579972743988
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.9182147979736328
+Oc1ccc(nn1)O,0.08413456380367279
+Nc1ccc(c(c1)C)N,0.7994755506515503
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.23866872489452362
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9708763360977173
+CCCCCC(=O)OCC=C,0.16632449626922607
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.4166157841682434
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.608161449432373
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.7648011445999146
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9252251386642456
+CC(C(CBr)Br)Cl,0.7163010835647583
+Brc1cc2cccnc2c(c1)C(=O)O,0.09569478034973145
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.8327104449272156
+CCS(=O)CCSP(=O)(OC)OC,0.5959087610244751
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9997931718826294
+CN(N=O)C[C@@H](CO)O,0.9395972490310669
+ON1CN(Cl)CN(C1)Cl.[K+],0.3823823928833008
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.017421705648303032
+C=CC(=O)OCCOCCOC(=O)C=C,0.30462780594825745
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9833754301071167
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9128570556640625
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.984640896320343
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.5498078465461731
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.909199595451355
+CCc1ccnc2c1cccc2,0.517971396446228
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.04792361706495285
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.1775827407836914
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.3731578588485718
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.08978905528783798
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.5121233463287354
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.47067898511886597
+CC(=O)/C=C/c1ccccc1,0.1638881415128708
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.8475984334945679
+ClCc1ccc(cc1)[N+](=O)[O-],0.8553315997123718
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.5869449973106384
+C[C@H](CN(C[C@H](O)C)N=O)O,0.777740478515625
+CCCCCON=O,0.8379914164543152
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.9188620448112488
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.7807698249816895
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9191595911979675
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.0865316167473793
+Cc1ccc(c(c1)N)O,0.5093674063682556
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.3100445568561554
+COC(=O)c1ccccc1CS(=O)(=O)N,0.17103466391563416
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.7745018601417542
+Oc1ccc2c(c1)cccn2,0.31547898054122925
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.3446769118309021
+CNN=NC,0.9621343612670898
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7878295183181763
+CCCC[C@H](COC(=O)C=C)CC,0.03946772962808609
+Cc1cccc2c1cccc2,0.5958042144775391
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9075475931167603
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.5622211694717407
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.9568272829055786
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.3380183279514313
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9577974081039429
+Clc1ccncc1,0.1127445250749588
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.0886748880147934
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.19435158371925354
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.43518930673599243
+[O-][N+](=O)OOC(=O)C,0.6591228246688843
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.369454950094223
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.7251287698745728
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.8340970873832703
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8993557691574097
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.8732059597969055
+CSC(/C=N/O)(C)C,0.4528846740722656
+CNc1ccc2c(c1N)nc(cn2)C,0.8598965406417847
+CCOC(=O)NNc1nncc2c1cccc2,0.48029717803001404
+O=c1c2ccccc2[nH]c2c1cccc2,0.39877334237098694
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.8242165446281433
+O=Nc1c(CC)cccc1CC,0.38597357273101807
+COC(C(Cl)Cl)(F)F,0.5697247385978699
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.9286679029464722
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.8919504880905151
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.3417685925960541
+Br[C@@H](C=O)CBr,0.9554807543754578
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.02722497656941414
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.770365834236145
+CSCNc1ccccc1OC,0.6647049188613892
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.8989117741584778
+CC(N)C,0.04772285744547844
+Cc1cnc(c(n1)C)C,0.184361070394516
+CCCCCCN(C(=O)N)N=O,0.8836580514907837
+COc1cc(N)c(cc1N)C,0.7650793790817261
+CCCN(C(=O)SCC)CCC,0.563328206539154
+COc1cc(/C=C/C(=O)O)ccc1O,0.19970835745334625
+CS(=O)C,0.34396424889564514
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.03928609937429428
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.12852010130882263
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.13437187671661377
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9547529220581055
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.2581753730773926
+Cc1cc(C)c(cc1C)C,0.042605411261320114
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.022131960839033127
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.33166569471359253
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8333350419998169
+CCOC(=O)OC(=O)OCC,0.4711306691169739
+C/C=C/Cl,0.8459146618843079
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.16625256836414337
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.23505215346813202
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.0688033252954483
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.9431121945381165
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.38367897272109985
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.7839869260787964
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.25382453203201294
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.02398284524679184
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.4464106559753418
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.7452200651168823
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.13650092482566833
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.36925196647644043
+CN(C1CCCCC1)C,0.018445633351802826
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.5226031541824341
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.1863713413476944
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.8403283953666687
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8240848779678345
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9901593923568726
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.3098742365837097
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9291914701461792
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9616273641586304
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.24941036105155945
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.08583588898181915
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.8994307518005371
+Clc1ccc(cc1)CC1OC1,0.5905019044876099
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.14034272730350494
+Cn1c(N)nc2c1cc1ccccc1c2,0.9810875654220581
+Nc1ccc(cc1)c1ccc(cc1)N,0.7696071267127991
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.5756402611732483
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.13297039270401
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.21474266052246094
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8000896573066711
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.18356403708457947
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.39932307600975037
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.3655359745025635
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.652894914150238
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.5221927762031555
+CCCC(=O)O,0.03453031927347183
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.9279630780220032
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.21448083221912384
+Nc1nc2c([nH]1)cccc2,0.4527836740016937
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.8585526347160339
+OC(=O)C(Cl)(Cl)C,0.1561669260263443
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9890796542167664
+N#C[Se]Cc1ccccc1,0.10232652723789215
+C[N+]1(C)CCCCC1.[Cl-],0.03419163450598717
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9075889587402344
+CC(=O)C(=C)C,0.4021967351436615
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.9066261053085327
+c1ccc2c(n1)c1ncccc1cc2,0.6532019972801208
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.37160468101501465
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5850543975830078
+O=CN(N=O)C,0.9078563451766968
+NCCCCCCCCCCC(=O)O,0.017970606684684753
+CCCCBr,0.748052716255188
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.907884418964386
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.2762123942375183
+Oc1ccc(cc1O)C(C)(C)C,0.08420053869485855
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.10070823132991791
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.8342860341072083
+COc1cc(OC)nc(n1)N,0.1485595554113388
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.21796946227550507
+OC(=O)c1cccc2c1nccc2,0.11423446983098984
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.87873774766922
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.10070823132991791
+CCOC(=O)c1ccccc1C(=O)OCC,0.12436028569936752
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.5092061161994934
+Nc1ccc(c2c1cccc2)N,0.9464237093925476
+Fc1cnc2c(c1)ccc1c2cccc1,0.8464480638504028
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.16625256836414337
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.08583588898181915
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.06323331594467163
+ClCc1ccc(cc1)Cl,0.33519795536994934
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.3794020116329193
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.695085883140564
+CC(=C)OC(=O)C,0.3505280911922455
+Oc1ccc(cc1N)S(=O)(=O)O,0.1061362624168396
+OC1CCN(CC1)N=O,0.9505254030227661
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.7785959839820862
+NCCCN(C)C,0.10704723745584488
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.8708504438400269
+CCCCN(N=O)CCCC,0.5271098017692566
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.6414108872413635
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.07568489015102386
+N[C@@H]1C[C@H]1c1ccccc1,0.5415160655975342
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.5059565305709839
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.5118506550788879
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6170789003372192
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.07456750422716141
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.8707619905471802
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9923103451728821
+[N-]=[N+]=CC(=O)NCC(=O)N,0.9619004130363464
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.14509828388690948
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.23608918488025665
+CC1(C)C2CCC3(C1C2)CO3,0.2532481253147125
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.23745322227478027
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.055252838879823685
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.16237565875053406
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.1562807261943817
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.3674488365650177
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.6978918313980103
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5696890354156494
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.8266198039054871
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.8409191966056824
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.3680657744407654
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.3918127119541168
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5125844478607178
+OC(=O)c1cnccc1C(F)(F)F,0.025166234001517296
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8069744110107422
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.6593907475471497
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5134320259094238
+Oc1ccc(c(c1)C)Cl,0.06234055012464523
+ClCc1c2ccccc2c(c2c1cccc2)C,0.7232863306999207
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.6672276854515076
+C=C[C@H]1CO1,0.7857253551483154
+O=C=Nc1ccc(c(c1)N=C=O)C,0.7002158761024475
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.4268830716609955
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.48797208070755005
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9258618354797363
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.9070371389389038
+CCCCOCC(=O)O,0.0642884373664856
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.25684258341789246
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.5527903437614441
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9665193557739258
+CCCCCCCCCCSCn1cc[n+](c1)C,0.22546586394309998
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.12969258427619934
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.3371058702468872
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.020895203575491905
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.036014098674058914
+Nc1cc(nn1C)C1CC1,0.5875176787376404
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.06457331031560898
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.20049476623535156
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.13635587692260742
+O=c1ccc2c(o1)c1ccoc1cc2,0.5640806555747986
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.04262786731123924
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.16461528837680817
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.19924050569534302
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.0482836551964283
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5232263803482056
+NC(=O)N(c1ccccc1)c1ccccc1,0.4356497824192047
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.7702256441116333
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8656535148620605
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.28731250762939453
+c1ccc2c(n1)cnnc2,0.2772895097732544
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9753754734992981
+Nc1nc(nc(n1)O)NC(C)(C)C,0.019934140145778656
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9345844984054565
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.10458986461162567
+Nc1ccc(cc1)F,0.6806498765945435
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.46470117568969727
+BrCc1ccccc1,0.25132936239242554
+Nc1cccc2c1nccc2,0.7027257680892944
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.3986469805240631
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6169145703315735
+Cn1cccc1,0.42176541686058044
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.6724336743354797
+Cl/C=C(/C(Cl)Cl)\Cl,0.9228278398513794
+Fc1ccc2c(c1F)cccn2,0.5862293243408203
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.06690860539674759
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.02216678112745285
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.03251107409596443
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.03559510037302971
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.06178982928395271
+CCCCN=NC(OO)(C)C,0.9648755192756653
+CCOC(=O)N(C)C,0.4473506510257721
+CC1=CCC(CC1)C(O)(C)C,0.03925281763076782
+CCOC(=O)[C@H](Br)C,0.6620011329650879
+Fc1ccc2c(c1F)nccc2,0.5104886293411255
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.08233849704265594
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.762231171131134
+CCNc1nc(NC(C)C)nc(n1)O,0.01962556317448616
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.027948185801506042
+Cc1ccccc1N.Cl,0.7509026527404785
+NC(=O)CI,0.22209224104881287
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.520540177822113
+CCCCOCCO,0.07868289947509766
+CCCCN(CCCO)N=O,0.9545854330062866
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.01865924336016178
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.43882647156715393
+Nc1sc2c(n1)cc(c(c2)C)C,0.8838416337966919
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.2457505166530609
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7277342081069946
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.6147840619087219
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.8807951807975769
+CCO[P@@](=O)(N(C)C)C#N,0.13075916469097137
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.8266693353652954
+Nc1cccc(c1)O,0.1062658429145813
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9245390892028809
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.02446221187710762
+CC(OP(=O)(F)C)C,0.04639153927564621
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.041185248643159866
+O=CN(c1ccccc1)O,0.666522741317749
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.3219052851200104
+NC(C(=O)O)CSCCCl,0.8228266835212708
+Oc1ccc2c(c1)OCO2,0.1235288754105568
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.04662089794874191
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9689079523086548
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.026743847876787186
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.12026592344045639
+C[C@@H]1CC[C@H](CC1)C(C)C,0.0055423215962946415
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.12385539710521698
+ClC[C@H]1CO1,0.9746400117874146
+C1CCc2c(C1)cccc2,0.13744249939918518
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9514992833137512
+Oc1ccc2c(n1)cccc2,0.18983538448810577
+CCc1ccccc1,0.03958956152200699
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.16912658512592316
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.13915884494781494
+Fc1cnc2c(c1)c1ncccc1cc2,0.7846146821975708
+Cc1cc(C)c2c(c1N)nsn2,0.8732610940933228
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.08655400574207306
+c1cc2cccc3c2c(c1)CC3,0.3435564637184143
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.0948815569281578
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.059286702424287796
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.7298094034194946
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.04935640096664429
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.09602515399456024
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.9579877853393555
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.8433164358139038
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.7980315089225769
+ClC([C@H]1OC1)(Cl)Cl,0.9354370832443237
+ONc1cc(ccc1C)[N+](=O)[O-],0.8203861117362976
+CC(=C)C1CCC2(C(C1)O2)C,0.08225496113300323
+OCCN=N#N,0.9380995631217957
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.8852330446243286
+COC(=O)CC(=O)C,0.13804244995117188
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6237491369247437
+NNS(=O)(=O)c1ccc(cc1)C,0.5894616842269897
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.8883979916572571
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.964947521686554
+CCOC(=O)C=C,0.14033493399620056
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.4431709349155426
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9259825944900513
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.049684327095746994
+[O-][n+]1ncc2c(c1)cccc2,0.49933749437332153
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9281115531921387
+ClCC(CBr)(Br)C,0.4991174340248108
+CCCCCNc1snc2c1cccc2,0.29079669713974
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.13668164610862732
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.9451826810836792
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.690062403678894
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8371090888977051
+CC/C=C/C=C/C=C/C=C/C=O,0.4126691222190857
+Clc1cccc2c1nccc2,0.269595742225647
+CCCCCCCCCc1ccc(cc1)O,0.008714084513485432
+Cc1ccccc1O,0.22445730865001678
+CNc1nc(C)c(c(n1)O)C,0.0379432737827301
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.920357346534729
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.0535120889544487
+O=Nc1c(O)ccc2c1cccc2,0.4964321553707123
+Oc1ccc(c(c1)Cl)Cl,0.08410222828388214
+CNC(=O)Nc1ccc(cc1)Br,0.28768283128738403
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9963253736495972
+O=c1c2cccc3c2c2c1cccc2cc3,0.6069568395614624
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6722063422203064
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.05907256156206131
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9479160308837891
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.14754654467105865
+Oc1cc(O)cc(c1)O.O.O,0.08230458199977875
+NC(=S)Nc1ccccc1,0.3238137662410736
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.7562345266342163
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.22283752262592316
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.16707248985767365
+O=C(n1cncc1)n1cncc1,0.4767904281616211
+O=NN(Cc1ccc(cc1)C)C,0.918391227722168
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.050136156380176544
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.14204052090644836
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.43656840920448303
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5496814250946045
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.6348671317100525
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.7893688082695007
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.14972025156021118
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.8083674311637878
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8408764600753784
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.023328540846705437
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9825312495231628
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.9514992833137512
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.03504336252808571
+Nc1cccc2c1cccc2,0.817645251750946
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9625639915466309
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.15141896903514862
+CNCCCN1c2ccccc2CCc2c1cccc2,0.7851132154464722
+[O-][N+](=O)NC(=N)NC,0.3929813504219055
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.06952875852584839
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.5285004377365112
+O=NN(Cc1ccc(cc1)Br)C,0.9042133092880249
+ClCCNC(=O)N(CCCl)N=O,0.999772846698761
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.05758941173553467
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.2429542988538742
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.7333223819732666
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.023649970069527626
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.7602415084838867
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.23200611770153046
+[O-][N+](=O)CCC(=O)O,0.6917217373847961
+NN1C(=O)c2c(C1=O)cccc2,0.7516581416130066
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.2534974217414856
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.2811408042907715
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.3097980320453644
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.3794711232185364
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.5937923789024353
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.6849163770675659
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9980714917182922
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.900896430015564
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.03737759590148926
+ONS(=O)(=O)c1cccc2c1nccc2,0.24028272926807404
+O=NN(C(=O)N)C[Si](C)(C)C,0.7183065414428711
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.8973606824874878
+Cc1cc2ncccc2c2c1n(C)cn2,0.8061527013778687
+C=C1CC(=O)O1,0.5005712509155273
+Cc1ccc(cc1)C(O)(C)C,0.042597852647304535
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9301053881645203
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.7451218962669373
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9510998725891113
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9381546974182129
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.8293642997741699
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.886939525604248
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.4804782271385193
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.7618292570114136
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.10950330644845963
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.17261061072349548
+O=Nc1[nH]cnc1c1ccccc1,0.6032301187515259
+O=Nc1ccc(cc1)Nc1ccccc1,0.9592031240463257
+COc1ccc2c(c1)oc(=O)cc2CBr,0.2207639515399933
+OCN=N,0.8777191042900085
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.10798478126525879
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.03641841560602188
+c1ccc(nc1)c1ccccn1,0.1813998818397522
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.8440250158309937
+Clc1nncc2c1cccc2,0.28537559509277344
+NCCNc1cccc2c1cccc2,0.8517665863037109
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.987623393535614
+OC(=O)c1ccc(c2c1snn2)O,0.24894979596138
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.8132537007331848
+COS(=O)(=O)OC,0.5718261003494263
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.973434567451477
+C[C@H](COC[C@H](O)C)O,0.16597218811511993
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.08240008354187012
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.19968627393245697
+[O-][N+](=O)[CH-]CCCC,0.41287365555763245
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.6344181895256042
+CNC(=O)Nc1ccccc1,0.10596980899572372
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.7660928964614868
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.061960406601428986
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.19478997588157654
+NC(=O)[C@H]1CO1,0.9648290872573853
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.19648773968219757
+CCCCCCCCCC,0.02365374006330967
+OC(=O)CI,0.24716857075691223
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8813695907592773
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.2801291346549988
+CC1CS1,0.17794927954673767
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9381217956542969
+BrCC(=O)Nc1ccccc1,0.30890288949012756
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.7368542551994324
+OO[C@@H]1CCCc2c1cccc2,0.3895008862018585
+Oc1nc(Cl)nc(n1)Cl,0.03336172178387642
+N#CCCCCC#N,0.04556027799844742
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.22650155425071716
+CCOc1cccc(c1)N,0.5796736478805542
+SCc1ccccc1,0.05493922159075737
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.019735585898160934
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.8074902296066284
+CCCCCCCCCCCCO,0.03984956070780754
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.046523116528987885
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.03764698654413223
+OC(=O)C1OC1C(=O)O,0.651289165019989
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.7699623107910156
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8906289935112
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.03550570458173752
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.3092159628868103
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.48474159836769104
+CCOc1cccc(c1)[N+](=O)[O-],0.6531748175621033
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.19535531103610992
+COC(=O)C(Cl)C,0.9002774357795715
+COC(=O)c1ccc(cc1)O,0.12210661172866821
+CC(Nc1nc(O)nc(n1)O)(C)C,0.017297904938459396
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.667845606803894
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9881450533866882
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.29561614990234375
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.815331757068634
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.04990239813923836
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.05096565559506416
+CCOC(C)(C)C,0.02385943941771984
+ONc1ccc(cc1)C(=O)C,0.5571977496147156
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.2375032603740692
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9841607213020325
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.004757734481245279
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6970806121826172
+CCCCCCCCCCCC(=O)NCCO,0.020656654611229897
+Cc1cccnc1,0.07129283249378204
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.07185960561037064
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8937565088272095
+Cc1ccc(cc1)O,0.19828207790851593
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.13682778179645538
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8814405202865601
+CCOCC,0.04875398054718971
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9744459986686707
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.029649723321199417
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.0762469619512558
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.8915565609931946
+c1ccc(cc1)Oc1ccccc1,0.04907385632395744
+ClCC(CCl)Cl,0.8000686764717102
+CC1CCc2c(C1)occ2C,0.03437050059437752
+CC(=O)CCC(=O)C,0.07634840160608292
+c1ccccc1,0.0375305712223053
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.9230839014053345
+Nc1ccc(c(c1)O)C,0.646537184715271
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9562013745307922
+NC(=O)N=NC(=O)N,0.6733859777450562
+COc1nncc2c1ccnc2,0.5599552989006042
+CCCOC(=O)c1ccc(cc1)O,0.028898611664772034
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.15893007814884186
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.019069692119956017
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.05901025980710983
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.963305652141571
+NNc1nncc2c1cncc2,0.7731902003288269
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.2557545602321625
+O=C1C=CC(=NC(=O)C)C=C1,0.2495470941066742
+O=C(c1ccccc1)C(=O)C,0.3679170608520508
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.770884096622467
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.7637696266174316
+CCOC(=O)C(C(=O)C)Cl,0.20964734256267548
+CCOC(=O)C(=C)C#N,0.14051876962184906
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.7421591877937317
+C1OCCO1,0.15319180488586426
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.6337558031082153
+CCN=[N+](CC)[O-],0.4895286560058594
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.1478935331106186
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.1127033606171608
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.511987030506134
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.4370098114013672
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.11032374203205109
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.2045043706893921
+NCCO,0.26495203375816345
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.30740511417388916
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8175447583198547
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.06922847032546997
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4935741424560547
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9367774128913879
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.2893206477165222
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.3991023600101471
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.6955254077911377
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.13693758845329285
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.06659330427646637
+OCC(CBr)(CBr)CO,0.6747773885726929
+CCCC[C@H](C=O)CC,0.07167098671197891
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.638940155506134
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.6047230362892151
+Cc1cccc(c1)C(=O)Cl,0.7388556599617004
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.694082498550415
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.10624945163726807
+CC([N+](=O)[O-])(Cl)Cl,0.5187612175941467
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9976072311401367
+O=NN(CC(=O)C)CC(=O)C,0.9512879252433777
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.6103315353393555
+NNc1ccccc1.Cl,0.9254661798477173
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.014683227054774761
+Cc1cc(C)nc(n1)N,0.1300201714038849
+COC[C@H]1CO1,0.9829328656196594
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.7570761442184448
+ClCCCN(C)C,0.6698733568191528
+COc1cc(N)ccc1C,0.5657933950424194
+CCC/C=N\O,0.7200747728347778
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.4383149743080139
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.07351023703813553
+O=CC1=CCC(CC1)C(=C)C,0.09359681606292725
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9844040870666504
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.8893163800239563
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.9767643213272095
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.7885801792144775
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.30340826511383057
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.40391868352890015
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.650549054145813
+CN(N=Nc1ccc(cc1)Cl)C,0.856570839881897
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.25348734855651855
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.031901322305202484
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9788263440132141
+O1CCOCCOc2c(OCCOCC1)cccc2,0.29489225149154663
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.15503965318202972
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.32104581594467163
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.8059269785881042
+O=NN1CCC[C@@H](C1)Cl,0.9855767488479614
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.5699235200881958
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.17113272845745087
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.15172989666461945
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.7295543551445007
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.5565268397331238
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.041857872158288956
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8239717483520508
+Nc1cnc2c(c1C)nc1n2cccc1C,0.7958229184150696
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.12952181696891785
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8244540095329285
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7800652384757996
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.99507075548172
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.14123418927192688
+O=Cc1c2ccccc2cc2c1cccc2,0.5788965225219727
+C[C@H](c1ccccc1)O,0.0622241273522377
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.9485519528388977
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8481888771057129
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.1277693510055542
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.5697232484817505
+Cc1ccc(cc1)OC[C@@H]1OC1,0.945984959602356
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.04964715987443924
+COc1cccc(c1O)C=O,0.3447447121143341
+Nc1ccccc1.Cl,0.4325503706932068
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.5956453680992126
+O=CC=C(Cl)Cl,0.9027289152145386
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9656561017036438
+OC/C=C(\CCC=C(C)C)/C,0.0835549384355545
+CC(=O)OC(=O)C,0.1383107304573059
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.42704421281814575
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.0707990750670433
+COS(=O)(=O)C,0.25591927766799927
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.01615646295249462
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.1793474406003952
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9591132998466492
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.08388383686542511
+N[C@@H](C(=O)O)CS,0.06561814993619919
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.6187028884887695
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.34516340494155884
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.08067266643047333
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.47498971223831177
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.36243146657943726
+O=Cc1ccco1,0.29543107748031616
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.21030423045158386
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.4229782521724701
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.28773900866508484
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.05329758673906326
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8842108845710754
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.22403046488761902
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9745557904243469
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.33855491876602173
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.011959261260926723
+CC(c1ccccc1)N(C)C,0.21447832882404327
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.41195258498191833
+COc1ccc(cc1)O,0.23174026608467102
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.2682684063911438
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.17013992369174957
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.014494063332676888
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9570379257202148
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.11502685397863388
+[O-][N+](=O)c1cccc2c1cccc2,0.854425311088562
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.17352056503295898
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.5936733484268188
+CNC[C@H](c1cccc(c1)O)O,0.033143047243356705
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8357787132263184
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.7218946218490601
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9868308901786804
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9392215013504028
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8481981158256531
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9595752954483032
+[O-][N+](=O)c1ccccc1C(=O)C,0.7894965410232544
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.26553601026535034
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.03411886468529701
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.3632076680660248
+Fc1c[nH]c(=O)[nH]c1=O,0.05477384850382805
+OCC[C@H](CCC=C(C)C)C,0.04450955241918564
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.12657131254673004
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.7779860496520996
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8551367521286011
+[O-][n+]1cccc2c1c(O)ccc2,0.561615526676178
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.1939031183719635
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.8863844871520996
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.8818256258964539
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.35956865549087524
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9986467361450195
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.7977809906005859
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.05235935375094414
+CC(=O)ON(c1ccccc1C)C(=O)C,0.6243926286697388
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.8834092020988464
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5963643193244934
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.8925727009773254
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9551334381103516
+Nc1cccc2c1nc1ccccc1n2,0.8912466168403625
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.493472158908844
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.7231148481369019
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8259574770927429
+ClCc1ccccn1,0.49521636962890625
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.08329835534095764
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7418750524520874
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.7565774321556091
+CCCCN(CCCC)N,0.06936906278133392
+CCC(Nc1snc2c1cccc2)C,0.2307838648557663
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.5518404245376587
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.11110363900661469
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.07746336609125137
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.7933963537216187
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.23200611770153046
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9887624979019165
+Nc1c2ccccc2cc2c1cccc2,0.8511136770248413
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.17117094993591309
+C=CCc1ccc(c(c1)OC)O,0.2436346560716629
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.6871212720870972
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9118331670761108
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5608053207397461
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.948447048664093
+Clc1ccccc1S(=O)(=O)N,0.11849266290664673
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.9452670812606812
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.9173272848129272
+O=Nc1ccccc1c1ccccc1,0.5695120096206665
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.6300972700119019
+COC(=O)c1ccccc1O,0.27238672971725464
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.464292049407959
+CNC(=O)Oc1cccc2c1cccc2,0.6808091998100281
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.8569488525390625
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.023649970069527626
+Oc1ccc2c(c1)cccc2,0.4943943917751312
+ON1C(C)(C)CCCC1(C)C,0.04009760171175003
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7168509364128113
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.039275676012039185
+Nc1ccc2c(c1)scn2,0.6723965406417847
+ONc1ccc(cc1)N=O,0.9827214479446411
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.08564162254333496
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8536137342453003
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.24008218944072723
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.989264190196991
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.11187635362148285
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.7378365993499756
+BrCc1ccc(cc1)[N+](=O)[O-],0.6424371004104614
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.6435683369636536
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.8247534036636353
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.9381920695304871
+ClCCN(CCCl)CCCl,0.8350623846054077
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7850314974784851
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.29561614990234375
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.9019883871078491
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.5908967852592468
+CCCCC#N,0.04417773708701134
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.4628162384033203
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7032982707023621
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.3292655944824219
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9327316284179688
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9730466604232788
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9811509847640991
+CCCC[C@H](CO)CC,0.015489782206714153
+CC(=CCC1CCCC1=O)C,0.02906087413430214
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9186975359916687
+ONc1c(C)cccc1C,0.6397673487663269
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.012281438335776329
+COC(=O)c1ccco1,0.2852855920791626
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.4432917535305023
+OCC12OOC2(C)c2c(O1)cccc2,0.3640574514865875
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.23131103813648224
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.018303681164979935
+O1CCOCCOCCOCC1,0.11364158242940903
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.0355001799762249
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.80243980884552
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.3426820933818817
+OC1=CC(=O)C1=O.[Na+],0.3984711766242981
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.8738566637039185
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.048308324068784714
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.8649126291275024
+O=c1ccc(c[nH]1)C(F)(F)F,0.12102054059505463
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8553037643432617
+C[C@H](COC(C)(C)C)O,0.038988690823316574
+CC(CCOC(=O)CC(C)C)C,0.04111214727163315
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.04629439860582352
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.20481380820274353
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.5730641484260559
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.930076003074646
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.20909330248832703
+Sc1nc2c([nH]1)cccc2,0.37690597772598267
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.898279070854187
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9961620569229126
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.10851214826107025
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.16368243098258972
+COC(=O)CCCCC(=O)OC,0.055315107107162476
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.043613627552986145
+CONC(=O)Nc1ccc(cc1)Br,0.6241080164909363
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.9340688586235046
+Nc1cnc2c(c1)cccc2,0.7106393575668335
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8435746431350708
+ClCCN(P(=O)(O)N)CCCl,0.9262722730636597
+ClCCN[P@]1(=O)OCCCN1CCCl,0.9485477209091187
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9095668792724609
+ClCc1cccc(c1)[N+](=O)[O-],0.7698909044265747
+C[C@H](C(=O)Nc1ccccc1)Br,0.8740447759628296
+NC(=O)Nc1ccc(cc1)Br,0.4231374263763428
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.2838782072067261
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8709427118301392
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.30912718176841736
+ClCC1=C(Cl)C(=O)OC1,0.9486915469169617
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8306488990783691
+CCc1ccc(cc1)C,0.0650908574461937
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.09903579205274582
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.18203262984752655
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9882408976554871
+Nc1cc2cccc3c2c2c1cccc2cc3,0.965266227722168
+O1CC1Oc1ccccc1,0.6191948652267456
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.10379135608673096
+Clc1ccc(cc1)CNC1CCCC1,0.05141980201005936
+O=Cc1ccc2-c1cocc2COC(=O)C,0.26587843894958496
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.11066953837871552
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9786664247512817
+S=c1ssc(c1C)c1cnccn1,0.3404238820075989
+CCC(=O)C(=O)C,0.11145035177469254
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9032653570175171
+Oc1ccc(cc1)Cl,0.07436036318540573
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.2290923148393631
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.1524491012096405
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.16512003540992737
+Oc1ccccc1c1nc2c(o1)cccc2,0.08693525940179825
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.1095087081193924
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9197330474853516
+COc1cc(F)ccc1[N+](=O)[O-],0.559789776802063
+CCCCOCCCC,0.07482928037643433
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.7743335962295532
+OC(=O)CC(=O)O,0.028712013736367226
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.027133071795105934
+Cc1ccc(o1)C,0.14635492861270905
+CCCCCCC=C,0.03173330798745155
+FC(C(F)(F)F)Cl,0.018728192895650864
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.03555978089570999
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.0407433919608593
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9093613624572754
+COc1ccc(ccc1=O)[N+](=O)[O-],0.7953823208808899
+c1ccc2c(c1)oc1c2cccc1,0.6992120146751404
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.04391859471797943
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.7627654075622559
+OCCOc1ccccc1,0.12614524364471436
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.1915355622768402
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.135524183511734
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.09729594737291336
+S=C1SSC2=NCCN12,0.27699047327041626
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.9271136522293091
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.990320086479187
+Nc1ccc2c(c1)oc1c2cccc1,0.9194439649581909
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.028761649504303932
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.04274512082338333
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9002070426940918
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.981192946434021
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9932125210762024
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.7961220145225525
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.8154058456420898
+CNCCS(=O)(=O)O,0.34798505902290344
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.43467631936073303
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.04629112035036087
+N#N=NCc1ccccc1,0.9826251864433289
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.7038082480430603
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9458154439926147
+OC(=O)C(CC(=O)O)CC(=O)O,0.02384764328598976
+CCn1c2ccc(cc2c2c1cccc2)N,0.9526464343070984
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.2014855593442917
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.682438850402832
+O=Cc1ccccc1[N+](=O)[O-],0.5128188133239746
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.7008262872695923
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.04274512082338333
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.5930162668228149
+NC(=N)S(=O)O,0.25344908237457275
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.05050421506166458
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.15845397114753723
+NC(=O)C[C@H]1CO1,0.900934100151062
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.15095417201519012
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.3118510842323303
+Clc1cccc(c1)C(=O)Cl,0.5678853392601013
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8771915435791016
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.08472118526697159
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.7495212554931641
+CC(OC[C@@H]1OC1)(C)C,0.35247802734375
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.6744182109832764
+NCCNCCNCCNCCN,0.5481981039047241
+N#CSCSC#N,0.11089696735143661
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.03559510037302971
+CCNc1cccc(c1)O,0.27852964401245117
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.11956627666950226
+O=NN(c1ccccn1)C,0.5574331879615784
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.24477580189704895
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.6075834035873413
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.46880704164505005
+OCCBr,0.8805158734321594
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9960749745368958
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.08057743310928345
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.4862687587738037
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7748939990997314
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.07809984683990479
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.2828748822212219
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.32177701592445374
+Nc1cccc2c1-c1ccccc1C2,0.7674031257629395
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.8691741228103638
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.15868042409420013
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.017968734726309776
+N=C(Nc1ccccc1)Nc1ccccc1,0.04516340047121048
+[O-][N+](=O)c1ccccc1Cl,0.3777148425579071
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3609767556190491
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.8824414014816284
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8615033030509949
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.35743051767349243
+O=C1C=C(O)C(=O)c2c1cccc2,0.3995989263057709
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.81792151927948
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.8257415890693665
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.4560975134372711
+CCCCN(C[C@@H](CC)O)N=O,0.9161577224731445
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.015085016377270222
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.6749886274337769
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.7507966756820679
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9108092188835144
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.10566184669733047
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9810441136360168
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.012665299698710442
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.6397532224655151
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.048478804528713226
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.05511690303683281
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.023396609351038933
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.10912150144577026
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.8626933097839355
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.8659003376960754
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.6414572596549988
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.12878885865211487
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.5936084985733032
+OCCC#N,0.07209840416908264
+CCOc1ccc(cc1)NO,0.8771508932113647
+S=P(N1CC1)(N1CC1)N1CC1,0.9343569874763489
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.49235638976097107
+Nc1ccc(cc1)Cl.Cl,0.478715717792511
+N#CC(O)(C)C,0.045733742415905
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9521664381027222
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9750962257385254
+BrCC1=C(Br)C(=O)OC1O,0.9499653577804565
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8957964181900024
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.8310227394104004
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9904860258102417
+O=C(C(F)(F)F)C(F)(F)F,0.033772505819797516
+OCC(CBr)(Br)C,0.6884902715682983
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.8843024373054504
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.023426968604326248
+CC(=O)/C=C/c1ccco1,0.19257953763008118
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.39271286129951477
+Cc1cc(C)cc(c1)N,0.24385955929756165
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.6571478843688965
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.14778073132038116
+CC(c1ccccc1)CCN=N#N,0.943372905254364
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9954400062561035
+C1CCSCS1,0.06540478765964508
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.636074423789978
+COc1ccc2c(c1)C1CCCCC1C=C2,0.8340900540351868
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.02481815405189991
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.7836570739746094
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6122318506240845
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.2715272307395935
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.7911461591720581
+CCC12OC2O1,0.8785087466239929
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.03089076653122902
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.8234585523605347
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.20980945229530334
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.4593293070793152
+ClC(=O)c1ccccc1C,0.4705241322517395
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7724797129631042
+NC(=O)N,0.08498411625623703
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.015826288610696793
+COc1ccc(cc1)C1OC1C,0.8658244013786316
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.08664073050022125
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9556013345718384
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.42038947343826294
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5546073317527771
+CSc1ccc(cc1)Cl,0.27708524465560913
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.6180247068405151
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.6877719759941101
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9509795904159546
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.03718319535255432
+N[C@H](C(=O)O)CSCCCl,0.8228266835212708
+Clc1ccc2c(n1)cccc2,0.3612481653690338
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9248256683349609
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8589510917663574
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.07718878984451294
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.6861926913261414
+CCSCCOP(=S)(OCC)OCC,0.07533607631921768
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.07246525585651398
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.8100131750106812
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.2991809844970703
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6386389136314392
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.6975014209747314
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.036560818552970886
+Nc1ccc(cc1)c1ccccc1C,0.8995381593704224
+COc1ccc(cc1C(C)(C)C)O,0.039628881961107254
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.014202415943145752
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5634752511978149
+Oc1[nH]nc2c1cccc2,0.10248646885156631
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.6695647835731506
+O=Cc1cccc(c1)c1ccccc1,0.5287052989006042
+O1C2C1C1N=NC2C2C1O2,0.9265131950378418
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.03364897891879082
+FC(C(Cl)(Cl)F)(Cl)Cl,0.048923641443252563
+BrCC(Br)(Br)Br,0.3248201608657837
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8857331275939941
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8956352472305298
+NC(=O)N/N=C/C(=O)O,0.6551677584648132
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.617904782295227
+[O-][N+](=O)c1ccccc1Br,0.32959499955177307
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.1328512728214264
+CCN(C(=O)N(C)C)N=O,0.9633758664131165
+CC[N+](=NC)[O-],0.7290136218070984
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.07659312337636948
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.40574392676353455
+OC(C(Cl)(Cl)Cl)O,0.4848581850528717
+OC[C@@H](CI)O,0.6654900908470154
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9077949523925781
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.5964852571487427
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.403799831867218
+CNP(=S)(N1CC1)N1CC1,0.8722860217094421
+CC(N(C(C)C)N)C,0.29090988636016846
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.035132329910993576
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.8070303201675415
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9383112192153931
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8951034545898438
+O=C/C=C(\CCC=C(C)C)/C,0.13869473338127136
+CC(=O)Nc1ccc(cc1)C,0.32485824823379517
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.2121499478816986
+Nc1ccccc1N,0.7460888028144836
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.17885467410087585
+OCCN1CC1,0.9388447999954224
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.09158875048160553
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.703727126121521
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.864362895488739
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.6567849516868591
+[O-][n+]1ncc2c(c1)cccn2,0.6497238278388977
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.31544896960258484
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.49801939725875854
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.528609573841095
+c1cnc2c(c1)C1OC1CC2,0.3278495669364929
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.059788305312395096
+CC(=O)CC(O)(C)C,0.1801213026046753
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.9705349206924438
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9905930757522583
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.5909126400947571
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.2048548460006714
+CC[Si](CC)(Cl)Cl,0.10780069977045059
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.700722336769104
+Nc1ccc(cc1)S(=O)(=O)O,0.14917400479316711
+[N-]=[N+]=NCCC(C(=O)O)N,0.8830810785293579
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7400266528129578
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.8399102091789246
+C1CCC2C(C1)c1ccccc1C1C2O1,0.4826584756374359
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.07099661976099014
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.8399473428726196
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.2512391209602356
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.4256246089935303
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.028543462976813316
+CNS(=O)(=O)c1ccc(cc1)N,0.4316329061985016
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8306260108947754
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.0474235936999321
+CN(N=O)CCCC,0.9068896174430847
+O=C1C=Cc2c3c1cccc3ccc2,0.7187596559524536
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.8468838930130005
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.08887269347906113
+CC(=O)OCCOCCOCCOC(=O)C,0.36534300446510315
+Oc1ncnc(c1)O,0.05512760207056999
+CCCOS(=O)(=O)C,0.5693622827529907
+OCCCCl,0.903357207775116
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.25745677947998047
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.04323536157608032
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9208652377128601
+OCc1ccc(cc1)O,0.15822935104370117
+CCOc1ccc(cc1)N,0.7325185537338257
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5786606669425964
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.8040213584899902
+ClCCOCCCl,0.9280474781990051
+c1ccc2c(n1)c1[nH]ccc1cc2,0.6620989441871643
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.7487868666648865
+CC(=O)c1ccncc1,0.16279983520507812
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.020776376128196716
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.7705284357070923
+CC(NC(C)C)C,0.030608702450990677
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.6305910348892212
+O=C1CCCCC1,0.14734099805355072
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.04128327593207359
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.39037251472473145
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.35003167390823364
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9712767601013184
+OCc1ccc(cc1N)[N+](=O)[O-],0.8214432597160339
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.1170215979218483
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.6649158596992493
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.14625394344329834
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.19563499093055725
+CCSC(=O)N1CCCCCC1,0.38926318287849426
+CCOP(=S)(OCC(C)C)SCCl,0.40597447752952576
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8811289072036743
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.5995336174964905
+COc1cc(Cl)nnc1c1ccccc1,0.1467854529619217
+ClC(C(=O)C)Cl,0.8559436798095703
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.04166698083281517
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.11105197668075562
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9916324615478516
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.4306541979312897
+OC1CCCCC1,0.028939396142959595
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9401212930679321
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.6298366189002991
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.29331445693969727
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.8372376561164856
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.9314829111099243
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8687319755554199
+N#N=NC(c1ccccc1)c1ccccc1,0.6496022343635559
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.5800538063049316
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8964969515800476
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.15528562664985657
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9312354326248169
+O=C(c1ccccc1O)OCc1ccccc1,0.09683577716350555
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7888203263282776
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.8982064127922058
+Cc1cccc(c1)Br,0.08692847192287445
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7516108751296997
+O=S1(=O)CCCC1,0.12640121579170227
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.8253520727157593
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9434764981269836
+OC(=O)c1ccc(c(c1)Cl)Cl,0.17340219020843506
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.7981112599372864
+OCCO,0.06885383278131485
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9301276206970215
+NCC(=O)Nc1ccccc1,0.5591577887535095
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1383083015680313
+Nc1cccc(c1)N,0.4122077524662018
+CCOCCOC(=O)C,0.336121529340744
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.8257997632026672
+OCC(CO)(C)C,0.11472439765930176
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.4661439061164856
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.049951374530792236
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.10155393928289413
+NC(C(=O)O)CN=N#N,0.9459671974182129
+Cc1cnccn1,0.3045087456703186
+Cc1ccc2c(-c3ccccc3C2C)c1,0.6302374005317688
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.341217964887619
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.06518707424402237
+COc1ccc(cc1)C=C,0.33769655227661133
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.2041671723127365
+[O-][N+](=O)CC,0.5508586764335632
+CNC(=O)ON=C(SC)C,0.7494446039199829
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.3264801800251007
+CCOC(=O)[C@@H](C(=O)C)Cl,0.2219158411026001
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9407744407653809
+c1ccc2c(c1)cc1c(c2)cccc1,0.8134781718254089
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9977709054946899
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.8870848417282104
+BrC(C(Br)Br)Br,0.7105697393417358
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.27549344301223755
+OC(=O)c1ccco1,0.23388084769248962
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9962199330329895
+CC(S(=O)(=O)Cl)C,0.8661134839057922
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.0971427634358406
+COC(=O)C12OC2(C)C(OC1=O)C,0.6294670701026917
+O[C@@H]1OC(=O)C(=C1C)Cl,0.6197613477706909
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.6992682218551636
+COc1cc(ccc1O)C(=O)C,0.22372698783874512
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.09411342442035675
+CO[C@@H]1OC1(C)C,0.839023232460022
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.2488785982131958
+OC(=O)c1cc(O)c(c(c1)O)O,0.08705179393291473
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.5372740030288696
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.07096537947654724
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.23854200541973114
+CN(/N=N/c1ccc(cc1)Br)C,0.556024968624115
+O1C=CC2C(C=C1)O2,0.3351621925830841
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.11571401357650757
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.292916476726532
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9599175453186035
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.023635923862457275
+O=C1C=C(C)C(=O)c2c1cccc2,0.49359941482543945
+O=Cc1cccc2c1nccc2,0.30945703387260437
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.6473382115364075
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.7979016900062561
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.35730600357055664
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7834164500236511
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.183822900056839
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.6462787389755249
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.05915864184498787
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.8602457046508789
+COc1ccc(c(c1)C)N,0.7682949304580688
+Cc1nnc(c(=O)n1N)c1ccccc1,0.5435919761657715
+OC1OC(=O)C(=C1Cl)Cl,0.5911238193511963
+NC1CCCC(C1)N,0.03840913623571396
+C/C=C(\C=O)/Cl,0.6129602193832397
+COc1ccc(cc1N)N,0.7084395885467529
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.811070442199707
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.4334670603275299
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9630113840103149
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.05803512781858444
+OCC#C,0.051768600940704346
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.653424084186554
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8965900540351868
+CCCCCCCCSCN1C=CN(C1)C,0.5734531283378601
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.6593946814537048
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.07066592574119568
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.17240142822265625
+NC(C(=O)O)C(C)C,0.08545707911252975
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.7992948293685913
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6931567192077637
+OC(=O)CCC(=O)O.[Na+],0.023715736344456673
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.7952944040298462
+C1=C[C@@H]2[C@H](C=C1)O2,0.6001092791557312
+COC(=O)C(=C)Cl,0.5188961029052734
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.13282403349876404
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.8024759292602539
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.43616533279418945
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.29089421033859253
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.22752037644386292
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5446474552154541
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6897786259651184
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.750674843788147
+CCN(c1ccc(cc1)[N+]#N)CC,0.7625595331192017
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.7597807049751282
+CCN(C(=O)N)N=O,0.7690178155899048
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.5129685997962952
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.04829156771302223
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.012025773525238037
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9832040667533875
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.7033754587173462
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.3775717616081238
+O=Cc1ccc(cc1)N,0.5374242663383484
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.22665861248970032
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.030940230935811996
+ClCc1ccc(cc1)CCl,0.26911911368370056
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.42515912652015686
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.1967891901731491
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8002516627311707
+Oc1ccc2c(c1)cccc2O,0.2702651023864746
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.46344441175460815
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.32588499784469604
+Oc1cccc2c1nccc2,0.3303995132446289
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.4647400379180908
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.4603392481803894
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.7905550599098206
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.39541107416152954
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.954563319683075
+OCCOCCO,0.4150356650352478
+O=NN(c1ccccc1)O,0.6859771609306335
+Cc1ccc(cc1NCC)O,0.30698755383491516
+Nc1scc(n1)c1ccccc1,0.7203899621963501
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8775874972343445
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.14153391122817993
+OCCCNP(=O)(N(CCCl)CCCl)O,0.9240629076957703
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.16000165045261383
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.5354136228561401
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.571399986743927
+O=CC1=CCCC2(C1(C=O)C2)C,0.6921054124832153
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.12781015038490295
+FC(c1ccc(cc1)Cl)(F)F,0.13791033625602722
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.12839695811271667
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.2526019215583801
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.20349450409412384
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.23670494556427002
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.12273840606212616
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.10129901021718979
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.28135746717453003
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.4236046373844147
+Cc1cc(C)nc(n1)Nc1ccccc1,0.14126968383789062
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.10589505732059479
+Cc1cccs1,0.14693763852119446
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.05543752387166023
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.7513969540596008
+C[C@H]1CCOS(=O)(=O)O1,0.6932805180549622
+CCCCOC(=O)c1ccc(cc1)N,0.11238877475261688
+Clc1cccnc1,0.25558072328567505
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6950947642326355
+O=NN1CCC(=O)NC1=O,0.9443804025650024
+Nc1ccccc1c1ccccc1,0.5961843729019165
+O=C1C=CC(=N#N)C=C1,0.8373399972915649
+COP(=O)OC,0.5976936221122742
+OCC12OOC2(CO)Oc2c1cccc2,0.37285858392715454
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9100275039672852
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9447177648544312
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.14770659804344177
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.18379315733909607
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.6238457560539246
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.8730894327163696
+COC1=CC=CC=CC1,0.3270418643951416
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9830750226974487
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.08971454948186874
+CN(P(=O)(N(C)C)N(C)C)C,0.13795685768127441
+O=NN(C(=O)c1c(NC)ncn1C)C,0.520398736000061
+FC(C(F)(F)F)F,0.12235961109399796
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.35204416513442993
+c1ccc2c(c1)ccc1c2cccn1,0.7889837026596069
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9246425628662109
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.9529953002929688
+[O-][N+](=O)C1CCCC1,0.6262480020523071
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9390934109687805
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.5455947518348694
+Cc1ccc(c2c1ccc1c2cccc1)C,0.8217635154724121
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.8895155787467957
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7088097333908081
+O=CN(c1cccc(c1)Cl)O,0.6232388019561768
+CC(NC(=O)Nc1ccccc1)C,0.038163281977176666
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.9051195383071899
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.21270470321178436
+ClCC(=O)CCl,0.948198676109314
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.2014685571193695
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.08576004207134247
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.7047517895698547
+[O-][N+](=O)/C=C/c1ccccc1,0.7401455640792847
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9491291046142578
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.35505932569503784
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.09930278360843658
+CCc1cccc(c1NC(=O)C)CC,0.163931742310524
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.04396442696452141
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.06027926132082939
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.0862407311797142
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5354281663894653
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.03674498200416565
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.7416567802429199
+Clc1ccc(c(c1)Cl)C(=O)O,0.21238641440868378
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.7415670156478882
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.13083210587501526
+COc1ccc(cc1)C(C=C)O,0.16460683941841125
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.05982736870646477
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.8976783752441406
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.01735573261976242
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.7212782502174377
+CN1C=CN(C1/C=N/O)CCOCC#C,0.1847468614578247
+CCc1ccc(cc1)[N+](=O)[O-],0.7058569192886353
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.08507059514522552
+Nc1cccc(c1)S(=O)(=O)O,0.06010859087109566
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.5225404500961304
+CCCCO,0.04782789200544357
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.11963216960430145
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.13178542256355286
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.1314142644405365
+CC12OC1C1CCCCC1c1c2cccc1,0.35789310932159424
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.4482308030128479
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.03505808860063553
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.8786426782608032
+Oc1ccccc1c1ccccc1,0.14573271572589874
+COc1ccc(c(c1)C(C)(C)C)O,0.09424076974391937
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9556146860122681
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9456640481948853
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.8356631398200989
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.10613527148962021
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8972827196121216
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.05009795352816582
+Nc1ccc(cc1)Br,0.4215162694454193
+CCCO,0.03381802886724472
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.07007957994937897
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.12438633292913437
+O=Cc1ccc(cc1)Cl,0.36935341358184814
+CC(=O)C,0.2809106707572937
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.874075710773468
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8821688890457153
+ClCC[N+](CCCl)(C)[O-].Cl,0.3517926335334778
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.601139485836029
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8789985775947571
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.660581648349762
+Oc1nc(O)nc(c1)C(=O)O,0.03291245922446251
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.15140695869922638
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.21460707485675812
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.8244789838790894
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.46208056807518005
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.9296427965164185
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5730245113372803
+OCc1c(N)cccc1[N+](=O)[O-],0.7580187320709229
+CCNc1nc(N)nc(n1)Cl,0.046590328216552734
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.8073372840881348
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9024122953414917
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.853628933429718
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.6763972640037537
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.8075331449508667
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6536680459976196
+OCCc1ccccc1[N+](=O)[O-],0.5936311483383179
+C=CC(=O)OCC(C)C,0.1401512324810028
+O=C/C=C\c1ccccc1,0.27901068329811096
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.0416853204369545
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.6927508115768433
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9604603052139282
+O=NN1CCCC1,0.9578301310539246
+O1CCC2(CC1)CO2,0.2895885109901428
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9750394821166992
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.2852863371372223
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.06979916989803314
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.16028641164302826
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.2778553366661072
+CCOc1ccccc1C(=O)N,0.18646188080310822
+O=Nc1ncn(c1c1ccccc1)C,0.547351062297821
+NCN,0.04687158390879631
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.9207727313041687
+CNC(=O)Oc1cccc2c1cccc2,0.5407214760780334
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.9313203692436218
+CN(C)C,0.056040167808532715
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.853625476360321
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.7449474334716797
+OC(=O)COc1ccc(cc1)Cl,0.10149331390857697
+Clc1cccc(c1)Cl,0.13184279203414917
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.49851006269454956
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.3309182822704315
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.17236587405204773
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.5083651542663574
+CCCCCCOC(=O)C(=C)C,0.08576826751232147
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.6837567090988159
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.19984903931617737
+Nc1ncc2c(n1)nc[nH]2,0.450674831867218
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9512431025505066
+OCC(CBr)(CBr)CBr,0.6579530835151672
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.25496500730514526
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.8166061639785767
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.6623154282569885
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.026100169867277145
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.3265446126461029
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.37107300758361816
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.7938884496688843
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8981317281723022
+Cc1cccc2c1nccc2,0.4804084897041321
+CS(=O)(=O)O,0.1831282377243042
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7311338782310486
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.6724440455436707
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.4226280152797699
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.04890655726194382
+CCCCN(CCCC)CCO,0.05470709875226021
+OC(=O)Cn1cncn1,0.05801038816571236
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.08217032253742218
+CCS,0.09930867701768875
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.2750188410282135
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.6527795195579529
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9485500454902649
+Nc1[nH]ccc2-c1c1ccccc1n2,0.689271867275238
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.31490814685821533
+CNc1ccc(cc1)/N=N/c1ccccc1,0.8675333857536316
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7446403503417969
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.5816984176635742
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9849505424499512
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.055794816464185715
+[O-][n+]1cccc2c1C1OC1C=C2,0.38754183053970337
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.30829542875289917
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.025302022695541382
+O=C/C=C(/CCC=C(C)C)\C,0.13869473338127136
+Nc1ccc(c(c1)Cl)C,0.5629843473434448
+O=CC[C@H](CCC=C(C)C)C,0.113193079829216
+C1N2CN3CN1CN(C2)C3,0.12530343234539032
+CCN(C(=O)Cc1ccccc1)CC,0.23239178955554962
+CCN(CC)CC,0.24598364531993866
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.03033674694597721
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.17879696190357208
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.05096280574798584
+NC(C(=O)O)CSC(=O)NCCCl,0.7456077933311462
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8716595768928528
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.7560885548591614
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.5457501411437988
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.6055933237075806
+Oc1ccc(c(c1Cl)Cl)Cl,0.13229970633983612
+OCCN(CCO)C,0.1495486944913864
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.6335880160331726
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.05920092388987541
+Fc1cc2cccnc2c2c1cccn2,0.6907640695571899
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.15956337749958038
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.2891611158847809
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.07544983923435211
+NCc1ccc(cc1)CN,0.5807807445526123
+ONc1cccc(c1C)C,0.565783679485321
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.7545617818832397
+Cc1ccccc1Cl,0.0779653936624527
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.11297696828842163
+Nc1cnc2c(c1)c1ccccc1cc2,0.936429500579834
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8189030885696411
+Nc1cccc2c1cc1ccccc1n2,0.9335129857063293
+NN(Cc1ccccc1)Cc1ccccc1,0.6472592949867249
+COc1c2ccc(cc2nc2c1cco2)O,0.7213595509529114
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.7142912745475769
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.8665146827697754
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.014551712200045586
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.06749469041824341
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.03818550705909729
+CN1CCOCC1,0.1613941490650177
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.2856301963329315
+OC(=O)COc1ccc(cc1Cl)Cl,0.08971454948186874
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.19388389587402344
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.11735840141773224
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9636691212654114
+c1ccc2c(c1)cccc2,0.4564591944217682
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.951653003692627
+NNC(=O)c1ccncc1,0.6026100516319275
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.8964153528213501
+OCc1ccccc1[N+](=O)[O-],0.5726804137229919
+O1COCOC1,0.46508270502090454
+[O-][N+](=O)CCO,0.7869950532913208
+ClCC(=O)NCc1ccccc1,0.5470498204231262
+O=NN(Cc1cccc(c1)Br)C,0.7560274004936218
+OC1C=Cc2c(C1O)nccc2,0.18351146578788757
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8757482767105103
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.6738280057907104
+COC1OC1(C)C,0.839023232460022
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9154831767082214
+CC(=O)OCc1ccccc1,0.18752886354923248
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7619509696960449
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8043144941329956
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.6079395413398743
+ONc1ccc(cc1)c1ccccc1,0.6907844543457031
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.18937858939170837
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.9490458369255066
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9113820791244507
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.1830725520849228
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.18271712958812714
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9654312133789062
+OC1OC(=O)C=C1CCl,0.8481229543685913
+CCC(=C)C=O,0.38807210326194763
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9772235751152039
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.07006283104419708
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.13433445990085602
+COc1ccc2c(c1)nc(n2C)N,0.7316160798072815
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.15400251746177673
+CCCCCC(=O)O,0.013670208863914013
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.14519739151000977
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.724969744682312
+CCCCCCCC/C=C\CCCCCCCCN,0.16300421953201294
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.4690020680427551
+CN/N=N/C,0.8852396011352539
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.7565393447875977
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.04960118606686592
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8407324552536011
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8950484395027161
+C[n+]1c2ccccc2nc2c1cccc2,0.6940366625785828
+Cn1ncc(c(c1=O)Cl)N,0.2213623821735382
+CNC(=O)ONC(=O)C,0.8007611036300659
+S1CCSCC1,0.1047266349196434
+CC(OC[C@@H]1OC1)C,0.7141140699386597
+C1NCCS1,0.04552796110510826
+O=C(C1(C)OC1)NCc1ccccc1,0.8081305623054504
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.09310387074947357
+ClCCBr,0.8368972539901733
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.17810514569282532
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.6409285664558411
+CCCCCCCCCCCC(=O)C,0.023245710879564285
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.8216120004653931
+Cc1cc2-c3ccccc3Cc2cc1C,0.5876840949058533
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8221343159675598
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.8859840631484985
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.8869704008102417
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.7715457677841187
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.05082111805677414
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.15620161592960358
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7297563552856445
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9299373626708984
+ClCC[N+](C)(C)C,0.08232562243938446
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.7675224542617798
+Cc1cccc(c1)C(=O)O,0.054284997284412384
+CCCCCCOC(=O)c1ccccc1,0.06530070304870605
+BrC[C@H](Br)C,0.6287695169448853
+Clc1ccc(cc1)S(=O)O,0.29575228691101074
+CC(c1ccccc1)C,0.06264659762382507
+COC(=O)C1OC1c1ccccc1,0.5103567242622375
+CCCCOC(=O)C=C,0.08795361965894699
+Nc1ccc(cc1)/N=N/c1ccccc1,0.8790680766105652
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.20236912369728088
+C[C@H]1CC(=O)O1,0.3045113682746887
+O=C/C=C/c1ccccc1,0.27901068329811096
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.24385349452495575
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.7488107085227966
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9499660730361938
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.09267085045576096
+COc1cc(N=Nc2ccccc2)ccc1N,0.8539501428604126
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.9931426048278809
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.20358729362487793
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.06964139640331268
+CC(=O)C1(CCNCC1)c1ccccc1,0.05929870158433914
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.8575681447982788
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.2446935921907425
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8965900540351868
+CCN1CCOCC1,0.11833228170871735
+OOC(c1ccccc1)(C)C,0.3013281226158142
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.15372291207313538
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.05143899843096733
+OC(C1CO1)CO,0.7490158677101135
+COC1=C(OC)C(=O)C(=CC1=O)C,0.23599520325660706
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9552568197250366
+C/C(=C/C)/C#N,0.2540694773197174
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9905228614807129
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.05968393012881279
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7917838096618652
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.14237499237060547
+Clc1cc(N)c(c(c1)Cl)O,0.4117566645145416
+O=C(c1ccccc1)OOC(C)(C)C,0.3124004006385803
+O=Nc1ccc(cc1)O,0.6506639719009399
+Nc1cc(Cl)c(c(c1)Cl)N,0.646357536315918
+Clc1cccc(c1O)Cl,0.14716015756130219
+OCCN1CCNCC1,0.09747803211212158
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.752463698387146
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.2441684752702713
+O1C[C@@H]1c1ccccc1,0.6237825751304626
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9513484239578247
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.11002101749181747
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.06511779129505157
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.04941099137067795
+CCN(C#N)N=O,0.6957147121429443
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.09758131206035614
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9160976409912109
+O=c1[nH]cc(cc1O)C(F)(F)F,0.15198254585266113
+ONc1ccccc1,0.5201282501220703
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.08786457777023315
+O=NOC(C)(C)C,0.6765129566192627
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.3265446126461029
+CC1=CC(=O)CC(C1)(C)C,0.16086363792419434
+COc1c2ccc(=O)oc2cc2c1cco2,0.6867218017578125
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9311748743057251
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.04747409746050835
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.050840042531490326
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.3878784775733948
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.8360670208930969
+CCCCNc1snc2c1cccc2,0.1760145127773285
+C=CC(=O)OCCN(C)C,0.18255150318145752
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9751162528991699
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8903497457504272
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.04597252607345581
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.984734058380127
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.2808074653148651
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7045001983642578
+[O-][N+](=O)[C@@H](CC)C,0.4479648470878601
+Cc1ccc(c(c1)C)O,0.11288087069988251
+C/C=C/c1cc(OC)ccc1OC,0.5101660490036011
+N[C@H](C(=O)O)CS/C=C/Cl,0.927482008934021
+CCNS(=O)(=O)c1ccc(cc1)C,0.29421111941337585
+Oc1ccc(c(c1)O)O,0.2363681048154831
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.06518707424402237
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.4695071280002594
+[O-][N+](=O)c1cc2ccccc2cc1C,0.8037341833114624
+OCCSN=O,0.9880878329277039
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.12235113233327866
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.226967453956604
+O=C1OC2=CCO[C@H](C2=C1)O,0.6114869117736816
+Cc1ccc(c(c1)O)C(C)C,0.06568934768438339
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.11277563869953156
+Oc1nc2c(o1)cccc2,0.07676631957292557
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.020244384184479713
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.7609992623329163
+O=NN(c1ccccc1)C,0.6444633603096008
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.05970442295074463
+CC1(C)C2CC3C(C1C2)(C)O3,0.2408187836408615
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.10042145103216171
+N[C@@H](C(=O)O)Cc1ccccc1,0.05529554933309555
+Clc1c(O)cccc1Cl,0.1592370569705963
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.030706414952874184
+COP1(=S)OCc2c(O1)cccc2,0.31457775831222534
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6991187334060669
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9607301950454712
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.968769907951355
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.4473505914211273
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.35747259855270386
+CCNc1ccccc1,0.15712273120880127
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.849051833152771
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9097927808761597
+BrCc1c2ccccc2cc2c1cccc2,0.7485525608062744
+CSCCC=O,0.6788788437843323
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.12852153182029724
+O=C1C=Cc2c(C1=O)cccc2,0.5258652567863464
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.4719781279563904
+O=C1NS(=O)(=O)c2c1cccc2,0.19207508862018585
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.5455790758132935
+O=C/C(=C(/C(=O)O)\Cl)/C,0.49885162711143494
+CCCCCCCCCCO,0.031143952161073685
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.8495434522628784
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.03463336080312729
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.6648404598236084
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.2874639630317688
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.6514199376106262
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.24648621678352356
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.10770776122808456
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9588850140571594
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.198631152510643
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.0670013502240181
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9778717160224915
+CCC(OS(=O)(=O)C)C,0.6231456995010376
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8086735606193542
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.8798526525497437
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.06266142427921295
+Nc1ccc(c(c1)N)C,0.791530966758728
+CC(Cc1ccc(cc1)C(=O)C)C,0.0682765319943428
+CC(C#N)C=C,0.09255506098270416
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.11774162203073502
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.25623488426208496
+CCN(c1cccc(c1)O)CC,0.12523984909057617
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.8625854253768921
+C=CC(=O)NCCC[N+](C)(C)C,0.05961884185671806
+C=CC(=C)CCC=C(C)C,0.03513582795858383
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8409515619277954
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9581577181816101
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.39039885997772217
+CCNC(=O)CCC(C(=O)O)N,0.35356220602989197
+Cn1c(N)nc2c1cc1ccccc1n2,0.9345798492431641
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.11428578943014145
+NCCCN,0.13751474022865295
+CCCCCCCCC=O,0.045513272285461426
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9522953033447266
+Oc1ccccc1Cl,0.14067669212818146
+CC(=O)Nc1cccc(c1)O,0.13939741253852844
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.21141338348388672
+OCCS,0.27388086915016174
+CC1(CO1)C1CO1,0.8227299451828003
+Nc1ccc(cc1)N=Nc1ccccc1,0.8790680766105652
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.2910950779914856
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.18600885570049286
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.8395142555236816
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9685465097427368
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.10041023790836334
+OC(=O)CCc1ccccc1,0.031300775706768036
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.5803604125976562
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9089072942733765
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.02949664555490017
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.11025891453027725
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.8185524940490723
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.0673178881406784
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9713380932807922
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9676963090896606
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.03620472550392151
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.0841524600982666
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9453936815261841
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.0571000762283802
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6742528676986694
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.2668795883655548
+CCNC(=N)N([N+](=O)[O-])N=O,0.7545760273933411
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.4991995692253113
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.019340191036462784
+[O-][N+](=O)c1ccc(c(c1)O)N,0.8757246732711792
+Cc1cccc2c1cccn2,0.5049960613250732
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.7778464555740356
+CCCCCCC=O,0.04701130464673042
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.69288170337677
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.6488603353500366
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.7284862399101257
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.8849703073501587
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.962762176990509
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.8524953722953796
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.8227263689041138
+Clc1cc(Cl)c(c(c1)Cl)O,0.079853355884552
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9335481524467468
+OCCn1c(C)ncc1[N+](=O)[O-],0.42908209562301636
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.10041023790836334
+CC(=O)OCN(N=O)CCCl,0.9963623881340027
+C/C(=C\C)/CCl,0.6226834058761597
+BrCCCCBr,0.31756073236465454
+CC(C=O)CC,0.34010979533195496
+CC(=O)n1cncc1,0.207347109913826
+Oc1ccnc(n1)O,0.08895687758922577
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.36721330881118774
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.46640023589134216
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.901925265789032
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.6684452295303345
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.5815898180007935
+ClCC(Cl)Cl,0.5649420619010925
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.17080941796302795
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.308173805475235
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9884109497070312
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9602181315422058
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.952740490436554
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.20869691669940948
+Clc1nnc(c(c1)O)c1ccccc1,0.09268327057361603
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.700208842754364
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.36849847435951233
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.931308388710022
+CCc1cccc2c1nccc2,0.30862897634506226
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.4517482817173004
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.768295168876648
+O=NN(C(=O)c1ccccc1)C,0.6300574541091919
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.5248059630393982
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.02228977158665657
+COC(=O)c1ccccc1,0.2998172640800476
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9961934089660645
+O=NN(c1cccnc1)C,0.41088876128196716
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.1634627729654312
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9662052392959595
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.832144558429718
+CC(=O)Nc1cccc2c1cccn2,0.3381426930427551
+c1ccc(cc1)c1ccccc1OCC1CO1,0.7809455394744873
+ClCCCN(COC(=O)C)N=O,0.9965505599975586
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.9859026670455933
+NCCS(=O)(=O)O,0.2579193711280823
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.10693179070949554
+C1CCC(CC1)NC1CCCCC1,0.028144532814621925
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.09616448730230331
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.2922649383544922
+CNc1ccc(cc1)N=Nc1ccccc1,0.8675333857536316
+ClCC[N+](C)(C)C.[Cl-],0.08232562243938446
+CC(CCOS(=O)(=O)C)C,0.2217092514038086
+CC(c1ccc(c(c1)O)C)C,0.05477696657180786
+Cc1ccccc1C,0.04960118606686592
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.6888808012008667
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.03028075024485588
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7646245360374451
+OC(=O)CCCC[C@H]1SSCC1,0.007952816784381866
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.05971825122833252
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.16770689189434052
+O=c1[nH]cc(cc1N)c1ccncc1,0.5406726598739624
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.056507743895053864
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9681294560432434
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.4132714867591858
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9460452795028687
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.922732949256897
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.487551212310791
+ClCc1cccc(c1)CCl,0.7666999697685242
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8143203854560852
+OC(=O)/C=C/c1ccccc1,0.08223602920770645
+[O-][N+](=O)c1ccccc1,0.5710252523422241
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.5477946996688843
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9446703195571899
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.17980749905109406
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.7865411043167114
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.1754818856716156
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.9749031066894531
+COP(=O)(OC)C,0.18261590600013733
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.1198640912771225
+Cc1ccc(c(c1)O)N,0.4353105425834656
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.5804129838943481
+Nc1c(C)cccc1O,0.40961018204689026
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.4928291440010071
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.1073663979768753
+ONc1ncnc2c1ncn2C,0.4696640968322754
+OCc1cc2c([nH]1)c1ncccc1cc2,0.6694929599761963
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.4773072302341461
+CCC/C=C(/C=O)\CC,0.3113791346549988
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.06954026967287064
+C=CC(=O)NCNC(=O)C=C,0.13457581400871277
+COCOC,0.28620439767837524
+CCCCCCCCCCCCC=C,0.02440045401453972
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8539469838142395
+CC(CNc1snc2c1cccc2)C,0.2387472689151764
+Cc1cccc2c1ccc1c2cccc1,0.7991014122962952
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.33929362893104553
+Oc1cc(Cl)c(cc1Cl)O,0.09265471994876862
+COc1cccc(c1)N,0.4345237612724304
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6176367998123169
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.828577995300293
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.17545592784881592
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.16937705874443054
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.7768203020095825
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.28811225295066833
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.9295073747634888
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.38753390312194824
+CCOc1cc(C=O)ccc1O,0.20744390785694122
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8841291666030884
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.19488093256950378
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.2346949577331543
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8943718075752258
+OC(=O)c1ccccc1N,0.09406057000160217
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9692412614822388
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.017556598410010338
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7825531959533691
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.04748351126909256
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.92731112241745
+ONc1cnc2c(c1)nc1n2cccc1,0.830512523651123
+C=CC(=O)OCCCCCC(C)C,0.032534800469875336
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.03578381985425949
+CC[C@H]([N+](=O)[O-])CO,0.25917625427246094
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.02224528044462204
+OCC(C(C(C(C=O)O)O)O)O,0.25460439920425415
+ONc1nc2c(n1C)ccc1c2cccn1,0.842628002166748
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.039777301251888275
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9461778402328491
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9203786849975586
+CC(=C)C(=O)OC(C)(C)C,0.06756558269262314
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.4335858225822449
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9479985237121582
+OC1=CC(=O)C1=O,0.2876245379447937
+OC(=O)C(Br)(Br)Br,0.37636473774909973
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6617021560668945
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9806831479072571
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.49631747603416443
+COc1ccccc1O,0.15073330700397491
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.502916693687439
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.253667950630188
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.0891764760017395
+Clc1nncc2c1nccc2,0.23733215034008026
+[O-][N+](=O)c1cccc(c1N)C,0.4633499085903168
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.11728695780038834
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.6503764390945435
+ClCC(=C)Cl,0.7253079414367676
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.9644347429275513
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.6407209634780884
+CCCCCNCCCCC,0.08848245441913605
+FCC(F)(F)F,0.05717158317565918
+BrCC(CBr)Cl,0.822264552116394
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9808737635612488
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.9020673036575317
+ClCCN([P@](=O)(O)N)CCCl,0.9337325096130371
+CCC(=O)NCc1ccccc1,0.04994143173098564
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8222260475158691
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8320804834365845
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.8899537920951843
+Cc1ccc2c(c1)c(N)sn2,0.7850186228752136
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9556822776794434
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.07076413929462433
+O=NN(C(=O)N)CCC(=O)O,0.8909429311752319
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6757043600082397
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.5055298805236816
+ClCCOP(OCCCl)OCCCl,0.7748912572860718
+CCCSC(=O)Cl,0.756863534450531
+O=NN(Cc1cccc(c1)C#N)C,0.9669489860534668
+O=C1C=CC(=O)C(=C1)C,0.21566668152809143
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.8207207918167114
+Nc1ccccc1SCCSc1ccccc1N,0.4932856559753418
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.7853536605834961
+ClCc1ccc(cc1)C(F)(F)F,0.10094735771417618
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.8961479067802429
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.038786668330430984
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.027006348595023155
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.6592351198196411
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.04310590773820877
+OCc1ccc(cc1)F,0.14144505560398102
+Cc1ccc(cc1)CC1OC1,0.5063987970352173
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9749712944030762
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.7966593503952026
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9517369270324707
+CCCCCCCCCCOC(=O)C(=C)C,0.01785653457045555
+ICC[C@@H]1OC[C@H](O1)CO,0.4750917851924896
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.48270440101623535
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.0884137749671936
+Cc1cnc2c(c1)cccc2,0.30816274881362915
+CCCCCCCCCCCCCCCC(=O)O,0.0091660525649786
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9267400503158569
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.7647557258605957
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.781790018081665
+COC(=O)c1ccccc1S(=O)(=O)N,0.10728323459625244
+O=NN(c1ccccc1)COC(=O)C,0.971988320350647
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.819632351398468
+NC1CC(C)(C)N(C(C1)(C)C)O,0.02002199925482273
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.8535395860671997
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8569418787956238
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.05350670963525772
+CC(OC(=O)CC(=O)OC(C)C)C,0.060353923588991165
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.0348101407289505
+BrCCCCCBr,0.6094822287559509
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.5565863251686096
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9607492685317993
+CN(C#N)C,0.49424904584884644
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9443523287773132
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.864784836769104
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.495685338973999
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.17303241789340973
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8753735423088074
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8253318667411804
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.25074058771133423
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9112256765365601
+OC(=O)CCP(=O)(O)C,0.010218968614935875
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.5454701781272888
+CC1=Nc2c(C1(C)C)cccc2,0.14753596484661102
+CNc1c(C)cc2c(c1N)cccn2,0.8322172164916992
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.918971061706543
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.8413136601448059
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.4126508831977844
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.6501708626747131
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.11588885635137558
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.9286524653434753
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.9625768661499023
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9701992273330688
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.947953999042511
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.694267213344574
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.036115795373916626
+Cc1ccc2c(c1)nccc2,0.4354392886161804
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8631145358085632
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9695852398872375
+O=Cc1cccc(c1)[N+](=O)[O-],0.8835020065307617
+CCN(C(=S)SCC(=C)Cl)CC,0.18874919414520264
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.03951901197433472
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.29670125246047974
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.31654196977615356
+CN(C(=O)Cl)C,0.6618753671646118
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.11681070178747177
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.02997293509542942
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.8584557771682739
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9917314648628235
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.2687643766403198
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8075483441352844
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.4409716725349426
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.024777229875326157
+CC(=O)/C=C\c1ccccc1,0.14191372692584991
+C/C(=N/O)/C(=O)C,0.422652006149292
+CCNc1nc(NC(C)C)nc(n1)Cl,0.03845001012086868
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.27659913897514343
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8710528612136841
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8507673144340515
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.35320520401000977
+CCCCOCCOCCOCCCC,0.10479117929935455
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.1518157571554184
+CCC/C=C/C=O,0.46409401297569275
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.8665027618408203
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.00913778692483902
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7869571447372437
+CCNS(=O)(=O)c1ccccc1C,0.10583150386810303
+[O-][N+](=O)c1cccc(c1C)C,0.4766678214073181
+ONC(=O)c1ccccc1O,0.4867566227912903
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.8596886396408081
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.989596962928772
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9578498005867004
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.04173348471522331
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.10256129503250122
+CN(CCOC(=O)C(=C)C)C,0.2935989499092102
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.7939127087593079
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.8993922472000122
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.7106855511665344
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.987767219543457
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.6904774308204651
+O=c1[nH]ncc2c1cccc2,0.39874130487442017
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.8035294413566589
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8761089444160461
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.2523786127567291
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.8006024360656738
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.7126193642616272
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9301753044128418
+C=C1CCC2CC1C2(C)C,0.031215345486998558
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.16355691850185394
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.6273334622383118
+O[C@@H]1OC(=O)C=C1CCl,0.8319457769393921
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.06568141281604767
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.015493661165237427
+CC(CN1CC(OC1=O)C)O,0.25683242082595825
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.026933854445815086
+CCCCC(=C)C=O,0.04474158585071564
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.7043294906616211
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.043142348527908325
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.786453127861023
+CC(=O)Oc1cccc2c1nccc2,0.473884642124176
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.8447116613388062
+CCC[C@H]([C@H](CO)CC)O,0.013017475605010986
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.6762554049491882
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9708322286605835
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.16982217133045197
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.3907373249530792
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.8584216833114624
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.7433855533599854
+CCC(=O)C=C,0.10768040269613266
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.44917169213294983
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.48133930563926697
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.6219993829727173
+CCCCCCCCCCCCCC=C,0.020626435056328773
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.06395748257637024
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.8453766107559204
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.07385778427124023
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.7040882110595703
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9568442106246948
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.993500828742981
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.29174333810806274
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.756929874420166
+OCc1ccc(cc1)NNC(=O)C,0.27966636419296265
+ClCC(=O)N(c1snc2c1cccc2)C,0.6495271921157837
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.04767615720629692
+O(CC1OC1)CCOCC1OC1,0.9484559297561646
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.8264880180358887
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9272333383560181
+COc1nsc2c1ccc(c2)OCC1CO1,0.9811150431632996
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.027291376143693924
+OC(=O)CNCP(=O)(O)O,0.14336322247982025
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.17673325538635254
+CNC(=O)N(c1ccccc1)c1ccccc1,0.12520036101341248
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.04313715547323227
+[N-]=[N+]=NCCc1ccccc1,0.9502704739570618
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.02487052045762539
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.28208082914352417
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.15994754433631897
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.3432466983795166
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8332966566085815
+OC(=O)c1ccc(cc1)Cl,0.0707130879163742
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.04018764570355415
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.6321502923965454
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.10297683626413345
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.6842554807662964
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7813820242881775
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9259570837020874
+CN1CCC(=CC1)c1ccccc1,0.16513878107070923
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.30676907300949097
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.07322122156620026
+OCc1occ(c(=O)c1)O,0.350769966840744
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.5891309976577759
+CCCCCOC(=O)C(=C)C,0.15821245312690735
+OC(CN=N#N)CN=N#N,0.9921183586120605
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.07160073518753052
+Fc1ccc2c(c1)sc(n2)O,0.2572713792324066
+Cc1ccco1,0.14246365427970886
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.8634069561958313
+C[C@H](CCl)O,0.880634605884552
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.014394191093742847
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7818639278411865
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.1113523468375206
+CCC=O,0.16647598147392273
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.04545605182647705
+CC(OC(=O)C)C,0.06798093020915985
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9066162109375
+Cc1ccnc2c1cccc2,0.540135383605957
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4787643849849701
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.17166979610919952
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.7745177149772644
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.1280076801776886
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.3773638606071472
+Oc1nncc2c1cccc2,0.36716920137405396
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.14457979798316956
+C=CCCC1CO1,0.9174790382385254
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3294197916984558
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.1184844970703125
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.9389340281486511
+O=C1COC(=C1O)C,0.1905883103609085
+NC(=N)N,0.21549534797668457
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8548474311828613
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.03582298755645752
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9594990611076355
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.8651151657104492
+CCCCOO,0.4405912458896637
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.8839300870895386
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8798065185546875
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.19315573573112488
+COc1cccc2c1nc(s2)N,0.8970369100570679
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.939958930015564
+CCCCCCCCCCCC(=O)O,0.010590304620563984
+CC1=CC2CCCCC2c2c1cccc2,0.3146439492702484
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.6275404095649719
+Oc1ncc(cc1N)c1ccncc1,0.4373987317085266
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.9642925262451172
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7285987734794617
+CCCCC(CCCC)(CCC)S,0.04921245947480202
+CN(c1ccccc1)C,0.6054149866104126
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.4764435291290283
+Nc1ncnc2c1ncn2Cc1ccccc1,0.6207607388496399
+NC(=O)c1cccnc1,0.11834452301263809
+N#Cc1ccc2c(c1)nc(n2C)N,0.9102325439453125
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.0151487085968256
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8794118165969849
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.936198890209198
+CCOc1ccc(cc1N)NC(=O)C,0.43704384565353394
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.34294065833091736
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.8083699345588684
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.7196590304374695
+Clc1ccc(c(c1)Cl)O,0.09272637218236923
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.38421520590782166
+C/C=C\C=C,0.08536688983440399
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.08059439808130264
+CCN(c1ccccc1)Cc1ccccc1,0.38868144154548645
+Nc1ccc(cc1)N.Cl.Cl,0.7744342088699341
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8711006045341492
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.973133385181427
+OC(CO)CN=N#N,0.993118941783905
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.849223792552948
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.6239603757858276
+CCOc1ccccc1[N+](=O)[O-],0.5228326916694641
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.08173531293869019
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.06115581840276718
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.045267682522535324
+BrC[C@H]1CO1,0.9858078956604004
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.6631304025650024
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.6318520307540894
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.7345835566520691
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.0487440824508667
+Clc1cccc2c1cc1ccccc1c2,0.7454932928085327
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.6921210885047913
+CN1CCN=N1,0.35595571994781494
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.01751520484685898
+O=NN(C(=O)N)CCCC(=O)O,0.8349531292915344
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.8633002042770386
+CCOS(=O)(=O)c1ccc(cc1)C,0.29141202569007874
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.059280723333358765
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5378556847572327
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8433499336242676
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7003538012504578
+CCCC(=O)OCCC(C)C,0.16735102236270905
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.6122137308120728
+c1ccc(cc1)Cn1cncc1,0.319114089012146
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.2553878426551819
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.5267540216445923
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.7819852828979492
+Nc1ccccn1,0.1399698555469513
+OCCc1ccc(cc1)N(C)C,0.0956280529499054
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9584535360336304
+CCCCCCC1OC1,0.586859941482544
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.09985192120075226
+c1ccc(cc1)[Se][Se]c1ccccc1,0.059862423688173294
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.7083811163902283
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.27802565693855286
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.0628400519490242
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.08557670563459396
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.0861785039305687
+CCCCC,0.012914364226162434
+CCSCSP(=S)(OCC)OCC,0.20086467266082764
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.047081589698791504
+Oc1cccc2c1OC(C2O)(C)C,0.08702124655246735
+Cc1ccc2c(c1)cccc2,0.5408059358596802
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.013483064249157906
+O=NN1CCC[C@@H]1c1cccnc1,0.6508210301399231
+CCCCCN(CCCC)N=O,0.9637033343315125
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.6781641244888306
+CC/N=[N+](/CC)\[O-],0.41005975008010864
+CCCCN(CCC(=O)O)N=O,0.8669225573539734
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9848870038986206
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7818639278411865
+Cc1cscc1,0.17485640943050385
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.5349496006965637
+Clc1cnc2c(c1C)cccc2,0.3413223922252655
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.7091692686080933
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.31581559777259827
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.06028209999203682
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.061963897198438644
+O=Cc1ccc(o1)[N+](=O)[O-],0.8952817916870117
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.8589274287223816
+O=C1NC(=O)C(=C1Cl)Cl,0.21259641647338867
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.7207704186439514
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9183651804924011
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8020037412643433
+OCCN(N=O)CC,0.985684871673584
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.8934534192085266
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.963742733001709
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.7665521502494812
+C/C(=N/O)/CC,0.6422668695449829
+ClCC[N+](CCCl)(C)[O-],0.20250308513641357
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.09455718100070953
+OC(=O)CCCc1c[nH]c2c1cccc2,0.026259738951921463
+C/C=C/c1ccc(c(c1)OC)O,0.31820642948150635
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9015523195266724
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.847453236579895
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.11510235071182251
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.48939910531044006
+COc1nsc2c1cccc2OCC1CO1,0.9141399264335632
+CCOC(=O)C(Br)C,0.8633896708488464
+[O-][n+]1ncc2c(c1)ccnc2,0.5626504421234131
+CC(=C)C(=O)OCC(C)(C)C,0.052840493619441986
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.179706871509552
+CCCCC1CO1,0.770400881767273
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.038630250841379166
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6345103979110718
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6135188937187195
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.10516689717769623
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.38194137811660767
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.18944844603538513
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.0666067972779274
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.008753189817070961
+Nc1ccc2c(c1)nc(c(n2)C)C,0.8568307161331177
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8483625650405884
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.08850063383579254
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9925228953361511
+CCCSP(=O)(SCCC)OCC,0.15835770964622498
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.16818881034851074
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.8741534948348999
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.5695094466209412
+CCCCCN(CCCCO)N=O,0.9758733510971069
+O=NN(CCN(C)C)C,0.8665531277656555
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.6849954128265381
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9485234022140503
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.036804985255002975
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.15533877909183502
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.111028291285038
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6675426959991455
+COP(=O)(N1CCOCC1)OC,0.14809052646160126
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.6999079585075378
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.3497750163078308
+SC[C@@H](C(=O)O)NC(=O)C,0.24134817719459534
+Nc1ccc(c(c1)Cl)Cl,0.536909282207489
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.3079228699207306
+CCCCCCc1ccc(cc1O)O,0.02322460152208805
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.11593933403491974
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.47979021072387695
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.026727642863988876
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.9351008534431458
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.8851863741874695
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9452009201049805
+O=CC(=O)c1ccccc1,0.31689462065696716
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.8995925784111023
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.9689584970474243
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.864784836769104
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.876693069934845
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9088879823684692
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.06808967888355255
+ClC(=O)CCc1ccccc1,0.12296497821807861
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.12414401769638062
+Cc1c(N)c(C)c(c(c1C)N)C,0.2893427312374115
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7647949457168579
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.987767219543457
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.8215810060501099
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.6496378183364868
+c1ccc(cc1)/C=C/c1ccccc1,0.26393455266952515
+CCC(C)C,0.013814685866236687
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.032986730337142944
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9760570526123047
+S=C=Nc1cccc2c1cccc2,0.5280369520187378
+CCOC(=O)C(=C)C,0.059295404702425
+O=CC(C)C,0.34889763593673706
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9153648614883423
+ClC(c1ccccc1)(Cl)Cl,0.48321646451950073
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9175748825073242
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.884971022605896
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.01596773974597454
+CCN(c1ccccc1)CC,0.3223491609096527
+O/N=C(/c1ccccc1)\N,0.566510796546936
+Nc1cccc2c1cccn2,0.7166653871536255
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9981740117073059
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.914771556854248
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9943705797195435
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.15350882709026337
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.20024356245994568
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.8211900591850281
+NC(=O)c1c(Cl)cccc1Cl,0.19531047344207764
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.14685793220996857
+COc1ccccc1[N+](=O)[O-],0.559209942817688
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.7168513536453247
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.2783905863761902
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.6656964421272278
+CC(=C)C(=O)O,0.03803623467683792
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6730969548225403
+CC(Cl)Cl,0.11976776272058487
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9760038256645203
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9875734448432922
+COP(=O)(O)O,0.04659837484359741
+NC(=O)NO,0.6168621182441711
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9524021148681641
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8356080055236816
+C=CCc1cc(OC)c2c(c1)OCO2,0.27169570326805115
+C/C=C/C=C/C=O,0.6075971722602844
+O=C=Nc1cccc2c1cccc2N=C=O,0.8654736280441284
+O=C1C=CC(=O)O1,0.23822848498821259
+O=NN(CC(=O)C)COC(=O)C,0.9775248765945435
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9809309840202332
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.38644126057624817
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9729409217834473
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.7740647196769714
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9816900491714478
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9845378994941711
+C=CC=O,0.18237370252609253
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.02416479028761387
+Clc1cc(Cl)c2c(c1O)nccc2,0.2900157868862152
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.7246712446212769
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.03791729360818863
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.3341529369354248
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.0189141146838665
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.07356884330511093
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.6713346838951111
+O=C(Cc1ccccc1)OCc1ccccc1,0.10160446166992188
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.03395676612854004
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.3889910578727722
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.03617588430643082
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.12711594998836517
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.6462198495864868
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.04712282121181488
+ClC[C@H](O[C@@H](CCl)C)C,0.760783851146698
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9711967706680298
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.09512423723936081
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.15599554777145386
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.21699929237365723
+OCC(C1OC(=O)C(=C1O)O)O,0.15308710932731628
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.18599264323711395
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9613109827041626
+CCCCN(C[C@@H](CCO)O)N=O,0.7373770475387573
+O=N#Cc1cc(C)cc(c1)C#N=O,0.13917461037635803
+CCN(c1ccccc1)N,0.8019251823425293
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6736000776290894
+[O-][N+](=O)c1cccc2c1snc2Cl,0.7967928647994995
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.5866053700447083
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.28112924098968506
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9088236093521118
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.020725924521684647
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.31151506304740906
+ClC(C(Cl)Cl)Cl,0.174100860953331
+Cc1cccc(c1N)C,0.5801899433135986
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9785337448120117
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.11218734085559845
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.6766747236251831
+Cc1ncc(nc1)C,0.14315783977508545
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.032458942383527756
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8990007638931274
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.03839154168963432
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.41245150566101074
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.984950840473175
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.544560432434082
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.018739189952611923
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.09109705686569214
+Cc1cccc(c1N)C,0.5801899433135986
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9656400680541992
+CCOO,0.8251350522041321
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.8658647537231445
+CCOC(=O)c1ccccc1N,0.4456940293312073
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9855663180351257
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9793444871902466
+O=Cc1ccccc1O,0.15614533424377441
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.051745764911174774
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.42012447118759155
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9365413784980774
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8577168583869934
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.026067394763231277
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.043817609548568726
+CN(C(=O)OCC)N=O,0.9688115119934082
+OC(=O)[C@@H](CCl)Cl,0.6765970587730408
+C=COc1ccc(cc1)[N+](=O)[O-],0.7128695249557495
+CNC(=O)O/N=C/C(SC)(C)C,0.462820827960968
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.25074058771133423
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.1839478313922882
+CC(COS(=O)(=O)C)C,0.4529191851615906
+C[C@@]1(CO1)C=C,0.5129079222679138
+Nc1cc2ccccc2cc1N,0.9445856213569641
+Brc1cccc(c1)c1ccccc1,0.15597157180309296
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.2533802092075348
+OC(=O)CC(C(=O)O)N,0.024125903844833374
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.7687066793441772
+CC(COC(=O)C=C)O,0.20196691155433655
+O=C1c2ccccc2Cc2c1cccc2,0.2671257257461548
+O1CCOCCOCCOCCOCCOCCOCC1,0.11975666135549545
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.03874898701906204
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.05489031597971916
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.27740049362182617
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.030135685577988625
+NCC(C)C,0.04391853138804436
+CCCCCCCCCCCCc1ccccc1,0.006495994981378317
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.1647445410490036
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.20053593814373016
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7823346853256226
+NN(C(=O)C)C(=O)C,0.4410549998283386
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8990007638931274
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.8391796946525574
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.2698790729045868
+CC(=C)c1ccccc1,0.07349620014429092
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.11134574562311172
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.6519849896430969
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9837207794189453
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.9253336191177368
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7440860867500305
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.6446887254714966
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8610826730728149
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.4741317629814148
+ClCC=CCCl,0.8593730926513672
+Nc1c(C)cccc1N,0.6897345781326294
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.11899279057979584
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.1821148693561554
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8019504547119141
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.8554781079292297
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.26897287368774414
+Nc1[nH]cc2-c(n1)ncn2,0.39052778482437134
+C=C[Si](Cl)(Cl)C,0.10388604551553726
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.08299405872821808
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6492156386375427
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.03289162367582321
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.8605896830558777
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.8756862878799438
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.7041662335395813
+NC(=O)C=C,0.1179036945104599
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.4814271330833435
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6563091278076172
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.039156995713710785
+[O-][N+](=O)/C=C/c1ccco1,0.7574535608291626
+ClCC(=O)c1ccc(cc1Cl)Cl,0.577846109867096
+O=NN(CC(=O)COC(=O)C)C,0.9887344241142273
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.8199319839477539
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.7435476183891296
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.6749533414840698
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.304035484790802
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8594735264778137
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.970574676990509
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.984342098236084
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.7437130212783813
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.5913888216018677
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.8071680068969727
+Clc1ccc2c(c1)c(N)sn2,0.6821578741073608
+N#N=Nc1nc2c(n1C)cccc2,0.963476300239563
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.1576823890209198
+C=CS(=O)(=O)C,0.1810811311006546
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.28303998708724976
+CCO[Si](OCC)(OCC)C,0.06520290672779083
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9939104914665222
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.19758066534996033
+OCc1c(CO)cnc(c1O)C.Cl,0.08712869882583618
+CC(C(=O)O)Cl,0.6895210146903992
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.08379857242107391
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.9220983386039734
+Cc1nccc2c1[nH]c1c2cccc1,0.8136966824531555
+O=C1CCc2c(O1)cccc2,0.1038750559091568
+BrCC(=O)N(Cc1ccccc1)C,0.5976921319961548
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.3268797695636749
+Nn1nnc2-c(c1O)nc1c2cccc1,0.8576804399490356
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.3667988181114197
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.01965949311852455
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3522694706916809
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.951318621635437
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.7716957926750183
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.631074070930481
+CCCN(CCC)CCC,0.014982233755290508
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9737392663955688
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7288793325424194
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9708368182182312
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.7964559197425842
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5060778260231018
+OC(=O)[C@H](O)C,0.12330790609121323
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.43499988317489624
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.03257058933377266
+ClC(=O)c1ccccc1F,0.09780289232730865
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.9048717617988586
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.061042677611112595
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.7585564255714417
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7031124234199524
+CNC=O,0.6966655254364014
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.11800161749124527
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9652946591377258
+ClCC(C(Br)(C)C)Br,0.13685674965381622
+COC(=O)c1ccc(cc1)C=O,0.11258536577224731
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.692602276802063
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.7149608135223389
+ClNc1nc(NCl)nc(n1)NCl,0.04860078543424606
+CN(c1[nH]cnc2-c1ncn2)C,0.3560197353363037
+C[C@H]([C@@H](CBr)Br)Cl,0.46802085638046265
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.7072402834892273
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9920271635055542
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.40678614377975464
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.8442429304122925
+O=c1cn[nH]c(=O)[nH]1,0.12916140258312225
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.03445054218173027
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.023524634540081024
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.06560979038476944
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.08371864259243011
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.6058374643325806
+OC(=O)CCl,0.7062274217605591
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.06457765400409698
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.11600222438573837
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.2270069569349289
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8181169629096985
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.01427663303911686
+C[C@H](C=O)CC,0.2464676797389984
+ICCc1ccccc1,0.599331259727478
+Cc1c(NC)ccc2c1nccn2,0.7234829664230347
+NC1CCCCC1,0.019750377163290977
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9278229475021362
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.7099603414535522
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.053003281354904175
+ClC(C[C@@H]1OC1)(Cl)Cl,0.9095438122749329
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9597417712211609
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.7083631753921509
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.845726490020752
+Nc1cc(Cl)cc(c1)Cl,0.17882932722568512
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.7947291135787964
+COC(=O)c1sccc1S(=O)(=O)N,0.07118288427591324
+ONc1ccc(cc1)[N+](=O)[O-],0.88482666015625
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.3917767107486725
+NC(=O)Nc1ccc(cc1)C,0.7259847521781921
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.7073365449905396
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.07298842072486877
+BrCC(=O)c1ccc(cc1)Br,0.5081117749214172
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.8492822647094727
+CCN=NO,0.9471467733383179
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.6527080535888672
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.7754043340682983
+c1ccc2c(c1)ccc1c2nccc1,0.7939073443412781
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.021283747628331184
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.04514068365097046
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.05302455276250839
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.4255979657173157
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.7636363506317139
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.22760061919689178
+CCCCOP(=O)(OCCCC)OCCCC,0.04328978806734085
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.9363066554069519
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8507410883903503
+COc1nsc2c1cccc2OC[C@H]1CO1,0.9141399264335632
+c1ccc2c(c1)nc1c(c2)cccc1,0.7053298354148865
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.6936390399932861
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.6777415871620178
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.0460643395781517
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.7463910579681396
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.5252014398574829
+O=C1NCNC(=O)N1,0.04105410724878311
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9743613004684448
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.10258281230926514
+OCCOCCOCC,0.40850386023521423
+O=C/C=C/c1ccc(cc1)N(C)C,0.6823329925537109
+Oc1ccc(cc1)C(=O)O,0.022865286096930504
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.014099324122071266
+C/C(=N\O)/CC,0.6422668695449829
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.944658637046814
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.029071658849716187
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9701632261276245
+CCC(=O)C(=O)CC,0.06125815957784653
+C1CCCC1,0.02856958843767643
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.38983097672462463
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.24705493450164795
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.11997103691101074
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.04869313910603523
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.9592701196670532
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.1419881284236908
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.02741575799882412
+Cl[C@@H](C(F)(F)F)Br,0.03963014483451843
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.33438318967819214
+CCCCCCCCCCCCCC(=O)O,0.009792325086891651
+c1ccc2c(c1)Oc1c(O2)cccc1,0.3687381148338318
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.07474397122859955
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8392713665962219
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.30911797285079956
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8803526759147644
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9581203460693359
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.21909275650978088
+NNc1nncc2c1nccc2,0.7415731549263
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.6672016382217407
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.23806600272655487
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.8994809985160828
+O=C1C=CC(=O)C(=C1)Cl,0.3529456555843353
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.25585418939590454
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.01811482012271881
+N#CCC[C@](C#N)(CBr)Br,0.9003438949584961
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.33499500155448914
+C=CCOC[C@H]1CO1,0.9863950610160828
+O=c1nc[nH]c2c1cccc2,0.5774549245834351
+COC(=O)CCC(=O)OC,0.41101568937301636
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.014167037792503834
+NC(=O)NCC(=O)O,0.16413861513137817
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7780889272689819
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.4508228302001953
+CC1=NNC(=O)N(C1)N,0.8091495633125305
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9209445118904114
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8823702931404114
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.07459630072116852
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9329179525375366
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.8192211985588074
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.04360443726181984
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.10545764863491058
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8032334446907043
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.09810559451580048
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8111906051635742
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9816900491714478
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.37029188871383667
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.7481640577316284
+CNC(=O)Oc1ccccc1OC(C)C,0.057903945446014404
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.04672664403915405
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.868552565574646
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.19892188906669617
+O=C1CC=C(O1)C,0.28981441259384155
+CCCCC=C,0.032885510474443436
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.46223363280296326
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.057734422385692596
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8079745173454285
+Clc1ccc2c(c1)cccc2,0.4088393747806549
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.4235086441040039
+COc1ccc(cc1)N,0.824181854724884
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.08509387075901031
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9712967872619629
+[O-][N+](=O)c1ccc(c(c1)N)O,0.8697637319564819
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.1348961740732193
+CCCCN(CCCC)CCCC,0.03167072311043739
+ClCc1ccc(cc1)Br,0.5593050122261047
+CN(N=O)C[C@H](O)C,0.9886263012886047
+COP(=S)(SCC(=O)N(C=O)C)OC,0.4257252812385559
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.044623591005802155
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.23743200302124023
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9015710949897766
+CCCCCCC(=O)OCC,0.029599297791719437
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.08468692749738693
+NC(C(=O)O)CS/C=C/Cl,0.8480373620986938
+ClCN1C(=O)c2c(C1=O)cccc2,0.8032819628715515
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.8660175204277039
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.7965289354324341
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.33041632175445557
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.25165343284606934
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.6540417075157166
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9866434335708618
+CCCCN(CC[C@H](O)C)N=O,0.8644649386405945
+ONC(=O)c1ccccc1,0.29472804069519043
+OC(=O)c1cc(O)c2c(n1)cccc2,0.14427389204502106
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.9085307121276855
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9548395872116089
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8482414484024048
+CCN1CCN=N1,0.8452845811843872
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.804538905620575
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7787739038467407
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.8061290979385376
+BrC(C=O)CBr,0.9910930395126343
+Nc1nc(O)c2c(n1)nn[nH]2,0.3142654299736023
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.09558471292257309
+C[N+](Cc1ccccc1)(C)C,0.0413244292140007
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.1258634328842163
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.70830899477005
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9549753069877625
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.5401809215545654
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8713388442993164
+C/C=C\c1cc(OC)c(cc1OC)OC,0.36314740777015686
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9522482752799988
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8733382225036621
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.7338913083076477
+CCC(OC)(C)C,0.024341385811567307
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9189469218254089
+CCSC(=O)Cl,0.7089707255363464
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.6875696182250977
+Clc1ccc(c(c1)N)O,0.60881507396698
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.864995002746582
+Nc1nc2c(s1)cccc2,0.740919828414917
+O=NN1CC(=O)NC1=O,0.7438526153564453
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.5373252630233765
+CCCN(C(=O)N)N=O,0.9560338258743286
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.01877719908952713
+CC(=S)N,0.25405457615852356
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.03665705397725105
+OCCCN(N=O)CC,0.9619701504707336
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9155880212783813
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.6248989105224609
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.35923129320144653
+Clc1ccccc1C(F)(F)F,0.09856028854846954
+COCCOCCOCCOC,0.20608830451965332
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8366565704345703
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9760967493057251
+BrCCC(CCBr)(CO)CO,0.9270015954971313
+CC(Nc1nc(N)nc(n1)Cl)C,0.03451414033770561
+Nc1cccc(c1)c1ccccc1,0.8105284571647644
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.8042886853218079
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.8217206001281738
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.8947082757949829
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.816452145576477
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.06954196840524673
+NC(=O)c1ccccc1C(=O)N,0.2687366008758545
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.08577169477939606
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.06872861832380295
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.5201306343078613
+C=Cc1cccnc1,0.21188421547412872
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6420744061470032
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9972583055496216
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.3195742070674896
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.7960919141769409
+CCCCc1cc(C)cc(c1O)CCCC,0.043109096586704254
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.0213351808488369
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.04127160832285881
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.5803236961364746
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9045032262802124
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.17205548286437988
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.6783603429794312
+O=C1CCC(N1C)c1cccnc1,0.029361942782998085
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9358307123184204
+CC(=O)Nc1ccc(cc1)O,0.29780787229537964
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.8562153577804565
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.8809040784835815
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.24600405991077423
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.1865515410900116
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9264577031135559
+O=c1[nH][nH]c2c1cccc2,0.2334771603345871
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.008901599794626236
+C[Si](O)(C)C,0.08127209544181824
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.16881342232227325
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9827316403388977
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9106330871582031
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.8553468585014343
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.4152694344520569
+COc1ccc(cc1)CCC1OC1,0.9630073308944702
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.3974396884441376
+OCC(Cc1ccccc1)CN=N#N,0.9809614419937134
+CCOc1ccc(cc1)[N+](=O)[O-],0.7084792852401733
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9838544130325317
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.012524066492915154
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.623696506023407
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.057081419974565506
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.9046575427055359
+CCCCNCC,0.03935908526182175
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9374096989631653
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.9603096842765808
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.8797950744628906
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.2292182445526123
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.830969512462616
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.00560257863253355
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.7063398361206055
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.015831369906663895
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.6663577556610107
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.9114295244216919
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.018266083672642708
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9200387001037598
+N1CCNCC1,0.16415280103683472
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.017341814935207367
+COc1cccc2c1C1(C)OOC1(O2)C,0.3437017500400543
+CC1(CO1)C(=O)N,0.8458892107009888
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.7538607716560364
+CSc1cc(SC)c(c(c1N)C)N,0.5835217237472534
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.10179539024829865
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.07895541936159134
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8094004392623901
+ClCC(Cl)(Cl)Cl,0.4798569679260254
+O=C1NS(=O)(=O)Cc2c1cccc2,0.28194043040275574
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9803409576416016
+CC(=O)CCl,0.9391536712646484
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.2502131462097168
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.17314955592155457
+c1ccc2c(c1)cnnc2,0.44244521856307983
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.22662138938903809
+CCN(N=O)C=O,0.9098237752914429
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.01074895728379488
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.14429625868797302
+O=C([C@@H]1OC1)Nc1ccccc1,0.974592387676239
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9977222681045532
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.13170495629310608
+COc1ccc(cc1)C[C@@H]1OC1,0.7181767821311951
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7108830213546753
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.6283520460128784
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8768755197525024
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8802884221076965
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.8849338293075562
+Oc1cc(O)c2c(n1)cccc2,0.37569981813430786
+OCNC(=O)NCO,0.03005201183259487
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8951790928840637
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.41458043456077576
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.42890483140945435
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.2385336458683014
+C[C@@]1(CO1)[C@H]1CO1,0.7343415021896362
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.8619540333747864
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.2965115010738373
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7879976630210876
+O=NN(CC(=O)C)C[C@H](O)C,0.8078413009643555
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.7728205919265747
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9820364117622375
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.1054198294878006
+Oc1cccc(c1)Nc1ccccc1,0.19953972101211548
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.02311321534216404
+NCC(=O)O.Cl,0.09012316167354584
+COc1c2oc(=O)ccc2cc2c1occ2,0.7055469155311584
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9054406881332397
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8884089589118958
+[O-][N+](=O)C(C(O)C)C,0.5200256109237671
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.26687100529670715
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7704817056655884
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.06816624104976654
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.7451068162918091
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8860189318656921
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.1740628182888031
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.03365930914878845
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8904231190681458
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.9149876832962036
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.8028949499130249
+C/C=C\C=C/C(=O)O,0.10451221466064453
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.3439168930053711
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.22388561069965363
+c1ccc2c(c1)scn2,0.5179754495620728
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.7948843240737915
+C([C@@H]1OC1)C[C@@H]1OC1,0.7942600846290588
+CCCC=O,0.2939351797103882
+OC1CC(C)(C)N(C(C1)(C)C)O,0.06266209483146667
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.02242783084511757
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.02068575657904148
+OC(=O)COc1ccc2c(c1)cccc2,0.47356709837913513
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8271662592887878
+Nc1ccccc1Cl,0.3289068043231964
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.012240477837622166
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.31131523847579956
+CNC(=O)N(C(=O)C)O,0.4197002351284027
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7560864686965942
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7323505282402039
+OCNC(=O)c1ccc(cc1)Cl,0.1335407793521881
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.7356294393539429
+NCCc1c[nH]c2c1cc(O)cc2,0.39153313636779785
+c1ccc(cc1)Nc1ccccc1,0.4685490131378174
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.8228743672370911
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.14956459403038025
+COc1ccccc1C[C@H]1CO1,0.9157047271728516
+Nc1ccnc2c1cccc2,0.7277789115905762
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.8122275471687317
+COc1cc(N)c(cc1N)OC,0.39930278062820435
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.7278929948806763
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.03922801464796066
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.5710626244544983
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.6231523752212524
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.15758565068244934
+NCCc1c[nH]c2c1cccc2.Cl,0.5653383135795593
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.20910818874835968
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.5816934704780579
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.9008316993713379
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9719281196594238
+C[C@H]1CO1,0.6148093938827515
+Cl/C=C/CSCC(C(=O)O)N,0.7854162454605103
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8274710774421692
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.808463454246521
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.27173668146133423
+N#CCc1cn(c2c1cccc2)N=O,0.9492508769035339
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9452821612358093
+CN(c1nc(C)c(c(n1)O)C)C,0.025001997128129005
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.5946944355964661
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9703131914138794
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.89726722240448
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.2717069983482361
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.05594998598098755
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.747566819190979
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.8071492314338684
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.11091699451208115
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.885879397392273
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.11505100876092911
+CCCCCCCCCC=C,0.030733292922377586
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8269264101982117
+CCOC(=O)CC(=O)CCl,0.5117908716201782
+C=Cc1ccc(cc1)N,0.6785110235214233
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.783877432346344
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.21576011180877686
+Nc1ccccc1SCSc1ccccc1N,0.5296115279197693
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.017809173092246056
+CCC/C=C(\C=O)/CC,0.2518957555294037
+Oc1cccc(c1)Cl,0.04533885046839714
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.9543584585189819
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.4131377637386322
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.16135242581367493
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.883724570274353
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.7269704937934875
+N#N=NCC(C(C(C(CO)O)O)O)O,0.8670549392700195
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.04042822867631912
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.7153395414352417
+Cc1cc(C)c(c(c1N)C)N,0.616320013999939
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.3187831938266754
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.03606969863176346
+OC(=O)c1cccc(c1)C(=O)O,0.032105617225170135
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.2829224467277527
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.1496158391237259
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.10195627063512802
+OCCCCCCCCCCCCCCCCCC(=O)O,0.006404428277164698
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.5439183712005615
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9413237571716309
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.7167072296142578
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8109010457992554
+COc1nncc2c1cccc2,0.44748130440711975
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.008861904963850975
+OC(=O)CC[C@@H](C(=O)O)N,0.04482589289546013
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.1403382122516632
+CN1CCN(CC1)C,0.08340242505073547
+NNc1nncc2c1cccc2,0.8420425653457642
+OC(=O)c1cccc(c1Cl)Cl,0.07798545807600021
+ClCC(=C)Br,0.8775910139083862
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.49735426902770996
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.678469717502594
+CCOc1ccccc1N,0.6039308309555054
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.7146589756011963
+OC(=O)Cc1c[nH]c2c1cccc2,0.04103180766105652
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.03474392741918564
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.049265097826719284
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9250854253768921
+Clc1nncc2c1cccn2,0.3704119920730591
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.630705714225769
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.08049638569355011
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.8759552240371704
+O=C([C@@H]1OC1)NCc1ccccc1,0.8731948137283325
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.4112783968448639
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.7684673070907593
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.09585639834403992
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.030656063929200172
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.6355571150779724
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.02424447610974312
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.10434313118457794
+O(Cc1cccc2c1cccc2)CC1CO1,0.9974303245544434
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.28746938705444336
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.7308569550514221
+O=CCC(C)C,0.32166987657546997
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8578081130981445
+OC1C=CC=CC1O,0.11022371053695679
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.07858984172344208
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.11027263104915619
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.9200233221054077
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.00702633848413825
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.780153751373291
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.1284923106431961
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.009874224662780762
+NCCCN(CC)CC,0.05915013700723648
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.026209410279989243
+Nc1nnc(s1)S,0.4622116982936859
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9290131330490112
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.10055973380804062
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.13388574123382568
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8137918710708618
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.9014121294021606
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.5636056065559387
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7702077627182007
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8510571718215942
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.7460504174232483
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.08093904703855515
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.6221948862075806
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.9947988390922546
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9896294474601746
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.8819505572319031
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9296048879623413
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.09504468739032745
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.10021288692951202
+Cc1cc(N)c(cc1N)C,0.7305662631988525
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.3304150104522705
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.4190911650657654
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.715495765209198
+CCc1cc(cc(c1N)CC)c1ccccc1,0.599583089351654
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.7629646062850952
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8552355766296387
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.143199160695076
+OC(=O)/C=C/C=C/C(=O)O,0.18763718008995056
+OCc1cccc(c1)Oc1ccccc1,0.4211288094520569
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.32297438383102417
+C1CC2=CC3C(C=C(C1)O2)O3,0.6401669383049011
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9236595034599304
+CCN(c1ccc(cc1)N)CC,0.7390746474266052
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.310873419046402
+O1C[C@@H]1Cc1ccccc1,0.49259310960769653
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6718100309371948
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8060864210128784
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.649852991104126
+Fc1c(N)cc(c(c1Cl)F)Cl,0.25976061820983887
+O=C1C=C(O)c2c(C1=O)cccc2,0.47457560896873474
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8704990148544312
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.04965290054678917
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9113042950630188
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.9503318071365356
+C=Cc1ccccn1,0.11381183564662933
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.5819279551506042
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.17899391055107117
+Clc1cnc2c(c1)cccc2,0.21718013286590576
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.5807560086250305
+[O-][N+](=O)c1c(N)cccc1O,0.5811057686805725
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9550493359565735
+OC(=O)/C=C/C(=O)O,0.056540004909038544
+[O-][N+](=O)c1ccc(c(c1)C)C,0.6879213452339172
+ClC1=C(Cl)C(=O)OC1,0.9326777458190918
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.11655092239379883
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.04537782445549965
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.12393806129693985
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.6921836733818054
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.18883493542671204
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8637319803237915
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.20392116904258728
+CC[C@H](N)C,0.01829645410180092
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.8138238787651062
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.8094912767410278
+COc1ccc(cc1)N.Cl,0.824181854724884
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.8365575671195984
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.043720126152038574
+Clc1ccc2c(c1)nc([nH]2)C,0.42919713258743286
+OC1C(O)C=Cc2c1cccn2,0.10969869792461395
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.6266767978668213
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.03132810816168785
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.1528194397687912
+CC(CC(O)C)C,0.01890341192483902
+OCCn1c(CO)ncc1[N+](=O)[O-],0.8199470639228821
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.013805558905005455
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.03957412391901016
+O=C1C=CC(=[N+]=[N-])C=C1,0.7583900690078735
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.8211601376533508
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.09214041382074356
+c1ccc2c(c1)Sc1c(N2)cccc1,0.8658297657966614
+Cc1cccc(c1O)C,0.12451593577861786
+C=CCOC(=O)c1ccccc1N,0.5908499360084534
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.7854445576667786
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.7237639427185059
+O=Nc1ccc(cc1)C(=O)C,0.8496079444885254
+CN(CC(=O)O)C.Cl,0.03939935937523842
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5869004726409912
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.3451756536960602
+CCOC(=O)C[n+]1csc2c1cccc2,0.42802923917770386
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.1817697286605835
+O=C/C=C/c1ccco1,0.45592111349105835
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.11013732105493546
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.1068025678396225
+Fc1ccc2c(c1)c1ncccc1cc2,0.9078820943832397
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9848306775093079
+O=C1C(=O)c2c3c1cccc3ccc2,0.6175139546394348
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8555920720100403
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.3788991868495941
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.1304149329662323
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9984562993049622
+CN(/C=N/c1ccc(cc1C)Cl)C,0.43535661697387695
+O=C/C=C\c1ccccc1OC,0.23988115787506104
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.8720582723617554
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.0615510530769825
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.19198837876319885
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.12135358899831772
+CCCCCCCCCCCCCCCCCC(=O)N,0.012631920166313648
+OC(=O)c1cc2ccccc2cc1O,0.332284539937973
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.750853419303894
+ClCC(CCl)(CCl)CCl,0.37870174646377563
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.056333888322114944
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.08993639796972275
+O=C/C=C/c1ccccc1Cl,0.36130401492118835
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.4242742657661438
+Cc1ccccc1N,0.7760404348373413
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.0041067274287343025
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.022049307823181152
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7655017375946045
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9345401525497437
+O=NN(Cc1ccc(cc1)Cl)C,0.9235439300537109
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.05438129976391792
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.26516246795654297
+CCN=[N+](C)[O-],0.654302716255188
+CCOS(=O)(=O)C,0.6476500630378723
+NCCC(N)C,0.030326183885335922
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.014417896047234535
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.4739258289337158
+C=CC(=O)OCCCCCCOC(=O)C=C,0.06558337062597275
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.4840608239173889
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.8716785311698914
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.8945654630661011
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.7258735299110413
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.35053518414497375
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.5948677659034729
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.2563870847225189
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9775491952896118
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.041746094822883606
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.20368044078350067
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.900160014629364
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.7356294393539429
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.24776306748390198
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9165814518928528
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.1803971827030182
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9881539344787598
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4484618604183197
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8524573445320129
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.02979494258761406
+CN1CCNCC1,0.05376226454973221
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.27390360832214355
+C1CCC2C(C1)c1ccccc1CC2,0.21623268723487854
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.08475882560014725
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8902721405029297
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.6698344945907593
+O=S1(=O)OCCCO1,0.8793537020683289
+NC(=O)CN1C[C@@H](CC1=O)O,0.13707630336284637
+COC(=O)Nc1nc2c([nH]1)cccc2,0.23002544045448303
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8512016534805298
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.11755863577127457
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7461382150650024
+CC(CN(CC(C)C)N)C,0.33579128980636597
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9082186818122864
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.37799182534217834
+Clc1ccc(cn1)Cl,0.145181342959404
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.8394198417663574
+Fc1cccnc1,0.10750764608383179
+COc1cc(N)ccc1NC(=O)C,0.7222186326980591
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.26083311438560486
+OC(=O)CBr,0.39350229501724243
+O=S1(=O)CC=CC1,0.8586803674697876
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8504684567451477
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.7700408697128296
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.026833677664399147
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.16637124121189117
+NC(C(=O)OC(C)(C)C)CN=N#N,0.8362025022506714
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.5803236961364746
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.14820897579193115
+CC(C(CCl)Br)Br,0.7278221845626831
+CCCC(=C)C=O,0.5079056024551392
+O=Nc1ccccc1C,0.6178198456764221
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.27264949679374695
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.43176260590553284
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.11598126590251923
+Oc1cc(Cl)cc(c1)Cl,0.04025157168507576
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.1698942929506302
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.17455294728279114
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.2421731948852539
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.4679233431816101
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.8484832644462585
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.2099986970424652
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.19081680476665497
+C/C=C/C1OC(=O)C=CC1O,0.2537570893764496
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7826161980628967
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.3973686099052429
+O=c1oc2c([nH]1)cccc2,0.1875423640012741
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.9392776489257812
+Oc1ccccc1c1ccccc1O,0.08633668720722198
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.05017619580030441
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.10388358682394028
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.6698495745658875
+OCCOC(=O)C=C,0.3370653986930847
+OCCCc1ccccc1,0.13817593455314636
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.09775158762931824
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.07923543453216553
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.21321532130241394
+CC(=O)[C@H](O)C,0.22709763050079346
+NNc1ccc(cc1)C(=O)O,0.5220154523849487
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.8286643028259277
+CC(=O)NO,0.2830654978752136
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.7755292654037476
+OCC1CCCO1,0.30806243419647217
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.024329863488674164
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8377373814582825
+O=C1C=C(N)c2c(C1=O)cccc2,0.7477232813835144
+CC(=N)S,0.547882080078125
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.1352507472038269
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.4604121744632721
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.20136526226997375
+COC(=O)C1=C(CC)C(OC1=O)C,0.17478317022323608
+ClCC1=C(Br)C(=O)OC1,0.9872630834579468
+NNc1nncc2c1ccnc2,0.9230111241340637
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9166911840438843
+O=C1OCC1(C)C,0.3479064404964447
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.924828827381134
+Nc1ccc(c(c1Cl)Cl)Cl,0.46018633246421814
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.030918395146727562
+CC1CCCO1,0.1126190796494484
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.143964946269989
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.4509275555610657
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.11566688120365143
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.03387150540947914
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.639541506767273
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9621499180793762
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.7253438830375671
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.053375016897916794
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.641874372959137
+[O-][N+](=O)c1ccc(c(c1)C)N,0.8724386096000671
+C/C=C\c1ccc(c(c1)OC)O,0.4037233293056488
+Clc1ccccc1,0.21557292342185974
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.3700147569179535
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.07426096498966217
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.8046539425849915
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.2884235084056854
+CC(=O)O,0.10995407402515411
+Cc1ccc(c(c1)O)C,0.08959466218948364
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9698131680488586
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.922802746295929
+CCOc1nc(ns1)C(=O)O,0.13989987969398499
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.07501330226659775
+CC(=O)Nc1cccc(c1)C,0.17220549285411835
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.46756380796432495
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.07817013561725616
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.89625483751297
+BrCC(=O)NCc1ccccc1,0.5112937092781067
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8309043645858765
+O=C(OC(C)(C)C)CN=N#N,0.893933117389679
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.834216296672821
+BrCCCCCCCC(=O)O,0.6422410011291504
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.21965281665325165
+N#CCc1ccc(cc1)Cl,0.08272271603345871
+CCN(N=O)CC,0.9143505096435547
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.8638356328010559
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.128358393907547
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7318188548088074
+O=S1CCOC(=C1C(=O)N)C,0.10471127182245255
+[O-]P(=O)(OC)O,0.1511838138103485
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.8899105787277222
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8861504793167114
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.07338394969701767
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.5569706559181213
+NC(C(=O)NCC(=O)O)CS,0.6933885812759399
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.42890483140945435
+Clc1ccc(cc1)Br,0.11761116981506348
+CCN(c1ccccc1)N=O,0.8320325613021851
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.9548133611679077
+O=C(c1ccccc1N)OCCc1ccccc1,0.34160810708999634
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.10015429556369781
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.9531917572021484
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.889728844165802
+OC1C=CC2C(C1O)O2,0.808732807636261
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.7028417587280273
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.3996720314025879
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8456158638000488
+C=CCN(CC=C)N=O,0.7110100984573364
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9275714755058289
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.43769532442092896
+Oc1c(O)cccc1O,0.15019705891609192
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.38145411014556885
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.018131937831640244
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5571936368942261
+N[C@@H]1CCC[C@H](C1)N,0.03787480667233467
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.16487008333206177
+Nc1cccc2c1cc1ccccc1c2,0.9524872899055481
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.17840242385864258
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.37978485226631165
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.2928348183631897
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.8322675824165344
+[O-][N+](=O)c1ccccc1C,0.5538803935050964
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.1214715838432312
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.11409201472997665
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.040869589895009995
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8488394618034363
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.1474631279706955
+Cn1nc(c(c1)C(=O)O)C(F)F,0.10942518711090088
+ClCc1cccnc1,0.6883109211921692
+O=c1nc[nH]c(=O)[nH]1,0.18825721740722656
+OC(=O)C(F)(F)F,0.21810832619667053
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8950211405754089
+COc1c2cc3OCOc3cc2nc2c1cco2,0.7825757265090942
+Nc1ccc2c(c1)cccc2,0.8566125631332397
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.6940990686416626
+CNC(=O)ONC(=O)NC,0.3814554810523987
+c1ccc2c(c1)nccn2,0.404996782541275
+[O-][N+](=O)c1cccc(c1O)N,0.7152553796768188
+CC(=O)N(c1ccccc1C)O,0.512043297290802
+O=C(Nc1ccccc1)CC(=O)C,0.05705734342336655
+ClC(=O)c1ccccc1Cl,0.5515948534011841
+Nc1ccccc1S,0.3435360789299011
+N#CCCC#N,0.05256878584623337
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.07229353487491608
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9107531309127808
+Nc1c2ccccc2nc2c1cccc2,0.864477813243866
+[S-]C(=S)NC.[Na+],0.6651699542999268
+C1CCO1,0.4693947434425354
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.8419800996780396
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.21189308166503906
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.40239810943603516
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.6682332754135132
+Oc1nsc2c1cccc2,0.3949512541294098
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.8534801602363586
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.7659571766853333
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.34665447473526
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.05711393430829048
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8442832827568054
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.22319194674491882
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9075329899787903
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8197102546691895
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.04244512319564819
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.18363088369369507
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.16543331742286682
+COP(=S)(OC)OC,0.26083192229270935
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.06333518773317337
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.09987803548574448
+CC(=O)NNc1ccccc1,0.6694104075431824
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.13561834394931793
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.693629264831543
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.21768006682395935
+c1cccs1,0.23672199249267578
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.4030632972717285
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.893143355846405
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.8320968747138977
+CCCON=O,0.9551594853401184
+Cc1ccc2c(c1C)cccc2,0.6384116411209106
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.8632806539535522
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.5968425273895264
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.7791981101036072
+ONc1ccc(c(c1)Cl)Cl,0.3386627435684204
+C1CCCCNC1,0.07082211971282959
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.9371829032897949
+Fc1ccccc1,0.09172502160072327
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.03893137723207474
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.006846570409834385
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.11916202306747437
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.06996919214725494
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.009777463972568512
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.8681504130363464
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.05869162827730179
+Nc1cccc2c1nc1CCCCc1c2,0.8311225175857544
+[O-][N+](=O)c1ccc2c(c1)cns2,0.9274247884750366
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.952385425567627
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.3800320029258728
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.3968331813812256
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.9290760159492493
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9145891070365906
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.576766312122345
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.6249262690544128
+[O-][N+](=O)c1ccccc1C(=O)N,0.9037352800369263
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5273314118385315
+ClCC=C,0.8458019495010376
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.9763557314872742
+CN(CC[C@@H](N(C)C)C)C,0.09042529761791229
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.6577516794204712
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9923996925354004
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.11922208219766617
+Cc1ccccn1,0.05351390317082405
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6918717622756958
+Clc1ccc(c(c1)Cl)Cl,0.10056094080209732
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.5402567386627197
+Cc1c(N)ccc(c1C)N,0.6712016463279724
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.8746246099472046
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8771543502807617
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.6000324487686157
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9348694682121277
+CCCCCC(=O)OCC,0.1762012541294098
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.19417324662208557
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9406864047050476
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.8003066182136536
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.02360549010336399
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.009741702117025852
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.49039238691329956
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8165220022201538
+CCOC(=O)C(CS)N,0.32111579179763794
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.7911267876625061
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.7870446443557739
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.4127771258354187
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5772675275802612
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6030856370925903
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.11548101902008057
+ClC(=O)c1ccccc1,0.6361009478569031
+CCCC[C@H](COCCC#N)CC,0.05383982136845589
+Oc1ccc(cc1)Cc1ccccc1O,0.32845717668533325
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.829007625579834
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.02270660549402237
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.8780241012573242
+Clc1cccc(c1)[N+](=O)[O-],0.7262805104255676
+CCCCCc1cc(O)cc(c1)O,0.031046483665704727
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.08517645299434662
+Cc1c(C)ccc(c1C)C,0.043555695563554764
+[O-][N+](=O)[C@@H](CC)Cl,0.8828513026237488
+NNc1ccc(cc1)[N+](=O)[O-],0.9461584091186523
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.25303566455841064
+OC[C@@H]1SCCN1N=O,0.9988226890563965
+CC1(OC1)c1ccccc1,0.6880720257759094
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.1437286138534546
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.020418692380189896
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7882948517799377
+CC(C(=O)N)Br,0.7275456190109253
+O=Nc1n(C)cnc1c1ccccc1,0.5766587853431702
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.5243645906448364
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.1729366034269333
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.058856576681137085
+OCC(C(C(C(C(=O)O)O)O)O)O,0.07707075029611588
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9289032816886902
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8307573199272156
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.5066767930984497
+Cl[C@@H](C=C)CCl,0.7902690768241882
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.13447785377502441
+CCCCCCCC[C@H]1CO1,0.3913899064064026
+Sc1nc2c(s1)cccc2,0.3235304355621338
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.27478042244911194
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.18171900510787964
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.6198359727859497
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8252526521682739
+BrCCOC(=O)C(=O)OCCBr,0.9487643241882324
+Clc1ccccc1Cl,0.2567153871059418
+Nc1cccc2c1c(O)nnc2O,0.6691608428955078
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9053093791007996
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.9812902212142944
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9536734819412231
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.6007097363471985
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.7698253393173218
+O=C1CCCCCCCCCCCCCCO1,0.0727590024471283
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.81866055727005
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9475834965705872
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.05030161142349243
+C/C=C/CC#N,0.17468251287937164
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.0829300656914711
+Cc1nc2c(s1)cccc2,0.5709022283554077
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9257100224494934
+BrCC(c1ccccc1)Br,0.6759523749351501
+C=Cc1ccccc1Cl,0.3324805200099945
+Cc1cncc(n1)C,0.13475175201892853
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.21573512256145477
+CCOc1ccc(cc1)NC(=O)N,0.6034101247787476
+ClC(=C)C=O,0.8750516772270203
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.032868001610040665
+CCCC[N+](=O)[O-],0.2737509310245514
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.6680495142936707
+Nc1ccc(cc1)N,0.7346439361572266
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.036728180944919586
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.031524259597063065
+ClCCSCc1ccccc1,0.5043148994445801
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.8933954238891602
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.8904672861099243
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.038234513252973557
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.5224671959877014
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.9212831258773804
+NC(=S)NNC(=S)N,0.6276240944862366
+OC(=O)Cc1cccc2c1cccc2,0.09257856011390686
+CC(COC(=O)C(=C)C#N)C,0.042759157717227936
+CC([N+](=O)[O-])(Cl)C,0.6557019352912903
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.7994647026062012
+OCCN(C(=O)OCC)N=O,0.8729799389839172
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9139431118965149
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.8673986196517944
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7796609997749329
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9604116678237915
+CCC(=O)Nc1snc2c1cc(C)cc2,0.3204899728298187
+CCCCCCCCn1sccc1=O,0.31550440192222595
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7941189408302307
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7919714450836182
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.9698761701583862
+COC(=O)COc1ccc(cc1Cl)Cl,0.14272138476371765
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.14490249752998352
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.9755101203918457
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.3664548099040985
+CC(Nc1snc2c1cccc2)C,0.5486030578613281
+ONc1nc(N)nc2c1[nH]cn2,0.740735650062561
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.8715553283691406
+C1CCC2(CO1)CO2,0.6234137415885925
+O=C1c2ccccc2-c2c1cccc2,0.46326857805252075
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.15034668147563934
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.03479260206222534
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.014187492430210114
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.1603536456823349
+CCCCOC(=O)c1ccc(cc1)O,0.039382826536893845
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.18637308478355408
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.9410231709480286
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.07770544290542603
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.10255476087331772
+ClC[C@@H](CBr)Cl,0.9034250378608704
+Clc1c(Cl)cccc1Cl,0.45143526792526245
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8441149592399597
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.1045384630560875
+FC(OC(C(Cl)F)(F)F)F,0.25946739315986633
+OC(=O)c1c(Cl)cccc1Cl,0.0574764609336853
+C/C=C/c1cc(OC)c(cc1OC)OC,0.3986722528934479
+Oc1ccc(cc1N)S(=O)(=O)C,0.3805828392505646
+CCC(CC(CC(Cl)C)Cl)Cl,0.18297140300273895
+O/N=C/C(=O)Nc1ccccc1,0.4854291081428528
+O=S1(=O)CCCO1,0.6322388648986816
+O=C1NCC(=O)N1,0.1773032248020172
+CCCC(=O)C,0.1432236135005951
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.25258320569992065
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8980268239974976
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.8597818613052368
+CCOS(=O)(=O)OCC,0.6617991924285889
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.7197573781013489
+N[C@@H]1CC[C@H](CC1)N,0.027993222698569298
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.7792589068412781
+Oc1cc2ccccc2c(c1)O,0.6228636503219604
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.6465874910354614
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.06689225137233734
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.5011148452758789
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.1796441376209259
+O1C(C1c1ccccc1)c1ccccc1,0.4126816391944885
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.8416946530342102
+O=C(C(Br)(C)C)Nc1ccccc1,0.0808684453368187
+COC(=O)C(=C)C,0.17674091458320618
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.6462425589561462
+COc1ccc2c(c1)sc(n2)N,0.959817111492157
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9484559297561646
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9887843132019043
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.926243007183075
+CN(N)C,0.18610522150993347
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.8725322484970093
+CC(O)(C)C,0.09432385861873627
+BrCc1ccccc1[N+](=O)[O-],0.8120988607406616
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.18188706040382385
+BrC/C=C\CBr,0.8505460023880005
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.5992158651351929
+[O-][N+](=O)c1ccccc1O,0.4382643699645996
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9510195851325989
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8623462915420532
+[O-][n+]1c2ccccc2nc2c1cccc2,0.7970638275146484
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.17041032016277313
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.7163593173027039
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5138198137283325
+CCc1cnccn1,0.06455735117197037
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.38283446431159973
+OCC=O,0.8271653056144714
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.7782856822013855
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.4247015118598938
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9479885101318359
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8842719197273254
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.6615017652511597
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.9377300143241882
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.642859160900116
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9403812289237976
+Nc1cnc2c(c1)nc1n2cccc1,0.7447477579116821
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.5848131775856018
+CC(=O)OCc1ccco1,0.22271883487701416
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.6846586465835571
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.926805853843689
+CN=NO,0.6773145794868469
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.054152846336364746
+c1ccc(cc1)c1ccccc1,0.2538222372531891
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8906956911087036
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8626875877380371
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.8189483880996704
+CC(CN(CC(C)C)CC(C)C)C,0.019039060920476913
+CCCC[C@H](COCCCN)CC,0.09780413657426834
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.09178581088781357
+C=COC(=O)C=C,0.23627857863903046
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.8735752105712891
+O=NN(C)C,0.910964846611023
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.6076853275299072
+CC(=O)C(Cl)(Cl)Cl,0.8977940678596497
+Cc1cc(ccc1N)c1ccccc1C,0.930862307548523
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.5339363813400269
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.40534982085227966
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.23309092223644257
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.6175650358200073
+CC(c1ccccc1)CN=N#N,0.9520622491836548
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.8390072584152222
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.1288130134344101
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.42167529463768005
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.8700281381607056
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.053389180451631546
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.09054674208164215
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.12337882816791534
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.7496870756149292
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.6087177395820618
+CCCCCCCCOC(=O)C(=C)C,0.04166309908032417
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9584586024284363
+CCCCCO,0.031367670744657516
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.5705958604812622
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.014264771714806557
+N#N=Nc1nc2c([nH]1)cccc2,0.9566294550895691
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.08577429503202438
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.641525387763977
+OC(=O)CN(CC(=O)O)CC(=O)O,0.0589178092777729
+O=NN1CCC=CC1,0.8828802108764648
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.7459160089492798
+Cc1cccc(c1)[N+](=O)[O-],0.7094335556030273
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.7312716245651245
+ONc1ccc(cc1)/N=N/c1ccccc1,0.7985134124755859
+NC(=O)/N=N/C(=O)N,0.8483251333236694
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.49460092186927795
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.8290858268737793
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.5500129461288452
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9838444590568542
+Nc1ccc(cc1C)S(=O)(=O)O,0.09476079791784286
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.5269215703010559
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.7144611477851868
+CN[C@@H]([C@H](c1ccccc1)O)C,0.06326379626989365
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.154837965965271
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.7214936017990112
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9717317819595337
+OC[C@H]([C@H](CO)O)O,0.16584257781505585
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.35450881719589233
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9739610552787781
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9604144096374512
+Cc1nsc(c1)N,0.5618424415588379
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.43264108896255493
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.7197188138961792
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.7525531053543091
+ONc1cc[n+](c2c1cccc2)[O-],0.7969256043434143
+CCOc1cccc2c1nccc2,0.43949905037879944
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.04955264925956726
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6862303614616394
+FC(C(F)(F)F)(Cl)F,0.04598812386393547
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.11734159290790558
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.992872416973114
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.08207960426807404
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8666784167289734
+ONc1ccccc1c1ccccc1,0.6139686107635498
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9386672973632812
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.12225453555583954
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.03675677999854088
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.7294260263442993
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.27514225244522095
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.11389808356761932
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.07239259779453278
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.12569382786750793
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.05185399577021599
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.15880540013313293
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9127837419509888
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.8684598803520203
+O=C1NS(=O)(=O)c2c1scc2,0.07602743804454803
+Cc1ccc2c(c1)cccn2,0.6313614845275879
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.9881434440612793
+Oc1ccccc1c1ccccc1,0.42072027921676636
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.089879110455513
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.7182801961898804
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.02506379224359989
+CCCCC=O,0.27698615193367004
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.9588075876235962
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7349430918693542
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.9880987405776978
+Nc1ccc2c(n1)no[n+]2[O-],0.8854408264160156
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.13648781180381775
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.1824326068162918
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.0941394567489624
+OCC(C)C,0.042014967650175095
+CC(C(=O)Nc1ccccc1)Br,0.8672875165939331
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.9118797183036804
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.8464544415473938
+[O-][N+](=O)c1ccc2c(c1)csn2,0.9272938966751099
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.04238839074969292
+COc1ccc(c(c1)OC)N.Cl,0.5733047723770142
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.41557079553604126
+Nc1ncnc2c1nc[nH]2,0.6035434603691101
+OC(=O)c1ccccc1C(=O)O,0.059006400406360626
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8482589721679688
+CCCCOc1ccc(cc1)CC(=O)NO,0.637230396270752
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.9535267949104309
+COc1ccc(cc1N)[N+](=O)[O-],0.9324576258659363
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.5585803985595703
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.7600041627883911
+c1ccc2-c3ncsc3CCc2n1,0.6778997182846069
+O=CNc1ccccc1,0.20663437247276306
+OCCN(CCO)CCO,0.21203498542308807
+CC(C(=O)Nc1ccccc1)C,0.22602573037147522
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.07424379885196686
+CC1CCCC1,0.02756417915225029
+C[C@H](CBr)O,0.679908275604248
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.0331355556845665
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6389245986938477
+CC(OOC(C)(C)C)(C)C,0.0827123299241066
+C1CCCC2C(CC1)O2,0.4098154902458191
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.5879049301147461
+N#Cc1ccccc1[N+](=O)[O-],0.800780177116394
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.9182385206222534
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.7709816098213196
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.8476084470748901
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.8792532682418823
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.977865993976593
+CC[C@H](OS(=O)(=O)C)C,0.47403740882873535
+CCCCCCOC(=O)C=C,0.05474169924855232
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.263376384973526
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.05583789944648743
+CCOC(=O)[C@@H](O)C,0.26009681820869446
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8096479177474976
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.9946054220199585
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.7809371948242188
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.037628769874572754
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.10113508999347687
+NCCCl,0.7920793890953064
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.7749634385108948
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5466080904006958
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.2344362735748291
+OC(=O)C(Oc1cccc2c1cccc2)C,0.31806501746177673
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.13744159042835236
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.1329447329044342
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.8253653645515442
+OC(=O)C(CCS(=O)(=N)C)N,0.09382741153240204
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.3393610417842865
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.1938701570034027
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.1954566240310669
+CCC([N+](=O)[O-])CC,0.24324747920036316
+CCN(/C(=N/O)/C=O)N=O,0.933764636516571
+CN(N=Nc1ccccc1)C,0.925081729888916
+NC(=N)NC#N,0.22927260398864746
+OCc1c(CO)cnc(c1O)C,0.0869976207613945
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7181333303451538
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.8350554704666138
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.7764925956726074
+COC(=O)C(Cl)Cl,0.7926880121231079
+CC(Br)(C)C,0.06832820177078247
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.894289493560791
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.24146080017089844
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.8988466262817383
+CCCCCC/C=C\CCCCCCOC(=O)C,0.18147441744804382
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.10741714388132095
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9175491333007812
+CC(=O)Nc1snc2c1cccc2,0.40033406019210815
+Cc1ccccc1,0.05874209478497505
+CC(COC(=O)Cc1ccccc1)C,0.035287193953990936
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.7772201299667358
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.5433223843574524
+Fc1ccccc1c1ccccc1,0.6690807938575745
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5502296686172485
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.7347901463508606
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6117352843284607
+Clc1ccc(c(c1Cl)O)Cl,0.11807851493358612
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.679570734500885
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.9084702730178833
+CCCC[C@H](COC[C@H]1CO1)CC,0.8533493280410767
+Cc1ccc2c(n1)cccc2,0.6155414581298828
+Nc1nc2c(n1C)ccc1c2nccc1,0.9412873983383179
+CCCCOCC=O,0.5327805280685425
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.01509922742843628
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.6124860644340515
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.052687473595142365
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.7353247404098511
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.4146762490272522
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.8506962060928345
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9350991249084473
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.24925021827220917
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.1406707763671875
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.05556876212358475
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.9672930836677551
+Clc1cccc(c1)C(F)(F)F,0.04606429487466812
+CCOC(=O)c1cccc2c1nccc2,0.376404732465744
+O=C/C(=C\c1ccccc1)/C,0.3104330003261566
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8992942571640015
+ClCCOC(=O)C=C,0.908172607421875
+OCCN(C)C,0.09915003925561905
+N/N=c/1\sc2c(n1C)cccc2,0.7963588833808899
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.2705825865268707
+NCC1(C)CC(N)CC(C1)(C)C,0.04969361796975136
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9428585171699524
+O=Cc1ccccc1,0.1811171919107437
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.6292363405227661
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5741524696350098
+BrCC(CBr)Br,0.5979366302490234
+Fc1cccc2c1cccn2,0.6732147932052612
+CCCCCCCCCCCCN(N=O)C,0.6477378606796265
+O1CCN(CC1)SSN1CCOCC1,0.21657955646514893
+O=NN(C(C(=O)C)OC(=O)C)C,0.9773708581924438
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.7721440196037292
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.07206782698631287
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.36193785071372986
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9853900671005249
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.014291046187281609
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.8810625076293945
+C/C=N/N(C=O)C,0.7615284323692322
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.4252597689628601
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9092578887939453
+OC(=O)CN=N#N,0.8556286096572876
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.8751055002212524
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.1267048865556717
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9417308568954468
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9528769254684448
+OC(=O)c1ccc(c(c1)N)C,0.27872854471206665
+CCOc1ccc(cc1)N(C(=O)C)O,0.7486047744750977
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.9080864787101746
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.8367514610290527
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7858914136886597
+c1ccc(cc1)CN1CCN=N1,0.8147989511489868
+CCCCN,0.07093285024166107
+CCN(C(=N)N[N+](=O)[O-])N=O,0.8818842768669128
+Cc1c(C)cccc1O,0.16112062335014343
+OC(=O)c1ccccc1O,0.08767677843570709
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.014339938759803772
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.5864336490631104
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.08142451196908951
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.8510395884513855
+Nc1ccc2c(c1)c1ccccc1cc2,0.9585469365119934
+n1ccc(cc1)c1ccccn1,0.33597320318222046
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.06797738373279572
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.71701580286026
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.2628404498100281
+CC(CCCCCCCOC(=O)C(=C)C)C,0.03142441809177399
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.2268388569355011
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.13421407341957092
+NCCS,0.1588430106639862
+C[C@@H](c1ccccc1)Br,0.15391257405281067
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.39071017503738403
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.8738253712654114
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.8488600850105286
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.7224814295768738
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7447295188903809
+O=NN(C(=O)O/N=C(\SC)/C)C,0.9036419987678528
+CC(=O)Nc1ccc(c(c1)N)C,0.6541842222213745
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.5027393102645874
+OC(=O)CCCC(=O)O,0.027838170528411865
+O=c1[nH]cnc2c1cccc2,0.5569368600845337
+N#Cc1ccccc1C#N,0.2578519880771637
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.7712987661361694
+Cc1ccc(cc1)C,0.11850235611200333
+CCSCC[C@@H](C(=O)O)N,0.09355422109365463
+Cc1ccc2c(c1C)c1ccccc1cc2,0.8948274850845337
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.08838866651058197
+C/C=C/c1ccc2c(c1)OCO2,0.5778043270111084
+OC(c1ccccc1)CN=N#N,0.9597041010856628
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9259673953056335
+CC(CNCC(C)C)C,0.18353714048862457
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9602968096733093
+Brc1cccc(c1)[N+](=O)[O-],0.6023482084274292
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.18822313845157623
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8584527969360352
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.02795225940644741
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9899654388427734
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.7447136044502258
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.03886375576257706
+c1cc(OCC2CO2)c2c(c1)cns2,0.9139975309371948
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.39840346574783325
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9384846687316895
+CC(=O)c1ccco1,0.21363763511180878
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.11968134343624115
+OC(=S)c1ccccc1,0.4914138913154602
+C[C@H]([C@@H](CCl)Br)Br,0.7652040719985962
+Clc1ccc(cc1)CC[C@@H]1OC1,0.9389995336532593
+Clc1cccc(c1)NC(=O)N(C)C,0.2932610809803009
+O=NN(Cc1ccc(cc1)F)C,0.9156171083450317
+BrCC(=O)c1ccccc1,0.6057298183441162
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.3185890018939972
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9163846969604492
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.5856650471687317
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.841775119304657
+NC(=O)NNC(=O)N,0.7935788035392761
+OCc1nc(N)nc(c1)C1CC1,0.22500868141651154
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.8023735284805298
+O=NN1C[C@H](C)C(=O)NC1=O,0.9340803027153015
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.10917168855667114
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.7797080278396606
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.7713481783866882
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.8334282040596008
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.8742059469223022
+CC(Br)C,0.10406067222356796
+CCOP(=O)(OCC)OCC,0.11114007234573364
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.7248907089233398
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.756426990032196
+O[C@@H]1COC(=C(C1=O)O)C,0.23182609677314758
+Nc1ccccc1O,0.3835337162017822
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.009386807680130005
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7319753766059875
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.969788670539856
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9912704229354858
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.22739247977733612
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.03236614540219307
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.7310339212417603
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.894537091255188
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.4686741232872009
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9255580902099609
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.9384000897407532
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.924634575843811
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.028749490156769753
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.7299026846885681
+O=Cc1cccc(c1)Cl,0.41539034247398376
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.34759777784347534
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.8426198959350586
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7624176144599915
+N#Cc1c(Cl)cccc1Cl,0.1404729187488556
+OC(=O)C[N+](C)(C)C,0.053217433393001556
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.6124860644340515
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.24305710196495056
+Cc1ccncc1,0.10856093466281891
+COP(=O)(NC(=O)C)SC,0.5073283314704895
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.4837421774864197
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9844411015510559
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.764194130897522
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.8775785565376282
+OCCN(N=O)CCO,0.9535477757453918
+CCCN=NC(OO)(C)C,0.958769679069519
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.36006149649620056
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.20517531037330627
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.9468650817871094
+Cc1ccccc1OC[C@H]1CO1,0.9906220436096191
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.7330508232116699
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.03429092839360237
+OCC(C(CO)O)O,0.16584257781505585
+BrCCCBr,0.6104423999786377
+C1OC(=O)C=C1,0.5511105060577393
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.03711690753698349
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.08224277198314667
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.6155027151107788
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.6474297642707825
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.13979855179786682
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.16703931987285614
+NNc1scc(n1)c1ccc(cc1)N,0.9470577239990234
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.8945644497871399
+COc1cccc2c1nc1occc1c2OC,0.76954185962677
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.22706487774848938
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8174260854721069
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.4836920201778412
+C=CC=C,0.1408151239156723
+OC(=O)Cc1ccc(cc1)Cl,0.1063482016324997
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.8296281695365906
+Clc1cccc2c1oc1c2cccc1,0.6149281859397888
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.1439560204744339
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8949371576309204
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.47954362630844116
+O=C/C(=C/c1ccccc1)/Br,0.33371561765670776
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.09558411687612534
+COC(=O)N,0.4785415232181549
+OC/C=C(/CCC=C(C)C)\C,0.1284991055727005
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.17243406176567078
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.16664183139801025
+Fc1cc2cccnc2c2c1nccc2,0.7664591670036316
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.6679686307907104
+OC/C=C/c1ccccc1,0.5156695246696472
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.04936034232378006
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.8509823083877563
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.8345316648483276
+O=Cc1ccc(cc1Cl)Cl,0.14484044909477234
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.560549259185791
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.8806439638137817
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.0657082051038742
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9842323064804077
+CCOc1ccc2c(c1)sc(n2)N,0.9329156875610352
+C1CCNC(=O)N1N=O,0.9785720705986023
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.01851360872387886
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.7648677825927734
+OCc1c2ccccc2c(c2c1cccc2)C,0.7687527537345886
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.052910707890987396
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.9334592819213867
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.2409679889678955
+O=Cc1ccc(cc1)O,0.1548900306224823
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.04008078947663307
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.8529823422431946
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.0942283421754837
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.9451011419296265
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.4212675988674164
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.06178836151957512
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.18290762603282928
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.10999713093042374
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.05757341533899307
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.6503365635871887
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.3603605329990387
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.750324547290802
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.6452714800834656
+BrCC1=C(Cl)C(=O)OC1,0.9444344639778137
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.7430139780044556
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.9788915514945984
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.12193360179662704
+O=CN(C(=O)N(C)C)C,0.7946361899375916
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9873565435409546
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.711965024471283
+OC(=O)[C@H](Br)Cl,0.8130704164505005
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9988645315170288
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.20784199237823486
+C=Cc1ccc(cc1)[N+](=O)[O-],0.836287796497345
+CCCC(=O)OCC,0.1088632196187973
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9890785217285156
+ON(c1ccc(cc1)Cl)C(=O)C,0.4073565602302551
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9875470399856567
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.9150851368904114
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.3905784785747528
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9324949383735657
+Clc1cc(Cl)nc(n1)N,0.4430575370788574
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.9555795788764954
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6980417370796204
+O=C1C=CC(=O)c2c1cccc2,0.7350457310676575
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8509631156921387
+CCC(C(=O)NC(=O)N)(CC)Br,0.06471982598304749
+[O-][N+](=O)CCC,0.36707451939582825
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9252080917358398
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.3568303883075714
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.8049833178520203
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9929442405700684
+ClC(=O)OCc1ccccc1,0.44108590483665466
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9242656826972961
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.5484080910682678
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.15627188980579376
+OC(=O)c1ccccc1Cl,0.10471995919942856
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.44866275787353516
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.5963084697723389
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.8704239130020142
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8697379231452942
+ClCc1ccc(cc1)C,0.1889880895614624
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.05887403339147568
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8666784167289734
+O=NN(CCCC(=O)c1cccnc1)C,0.7729411125183105
+OC(=O)c1ccccc1O.[Na+],0.08767677843570709
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8797494769096375
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.7603334188461304
+Nc1ccc(c(c1)C(=O)O)O,0.25785550475120544
+c1ccc2c(c1)nccc2,0.5133438110351562
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8051728010177612
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.7917345762252808
+CCCCCC(=O)N,0.02194991707801819
+Cc1cccc(c1)O,0.15931889414787292
+COc1nncc2c1cccn2,0.5188366770744324
+C/C=C/c1cccc(c1OC)OC,0.5355287790298462
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.3556533753871918
+OCCCCCl,0.844386875629425
+NCCNCC,0.5396807789802551
+CCc1nccc(c1)C(=S)N,0.3389710783958435
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.09990285336971283
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.88593590259552
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.6354308724403381
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.8499757647514343
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.6029267311096191
+O=Nc1ccc(cc1)Oc1ccccc1,0.9370195269584656
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.1519155204296112
+C1COC1=O,0.35855746269226074
+CCC(C)(C)C,0.02232862450182438
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.07897965610027313
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9654637575149536
+CC1=CC(O)C2CC1C2(C)C,0.1953122317790985
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7514497637748718
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.2866595685482025
+NC(=O)Nc1nc2c([nH]1)cccc2,0.7369208335876465
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.1643296331167221
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9396237134933472
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.733912467956543
+CC1=CC(=O)c2c(C1=O)cccc2O,0.6214686632156372
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9886986613273621
+COC1=CC(=O)C=CC1=O,0.23858709633350372
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.40346986055374146
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.019614379853010178
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.6297246813774109
+COCCCN,0.3484385013580322
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.921471118927002
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.04190424829721451
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.8738341331481934
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.3206366300582886
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.16138902306556702
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.7785032987594604
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.1264066994190216
+OC(=O)C(Cn1cncc1)N,0.030622165650129318
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6628194451332092
+Clc1ccc(c(c1)N)N,0.7959985733032227
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.5807215571403503
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.6255170702934265
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9080638885498047
+Clc1ccc(c(c1)N)C,0.7457579374313354
+Nc1cccc2-c3c(Cc12)cccc3,0.9276766777038574
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.25860127806663513
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.07013433426618576
+O=C1CCCN1C,0.14642275869846344
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.029993176460266113
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.9679692387580872
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8154207468032837
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.6268369555473328
+Oc1cccc(c1)O,0.11647649854421616
+CSSC,0.07355723530054092
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.7654694318771362
+CCc1nn(c(c1Cl)C(=O)N)C,0.1593679040670395
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.07079373300075531
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.759553074836731
+ClCc1cnc(nc1Cl)Cl,0.6830945014953613
+O=C/C=C/C(O)C,0.6423055529594421
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8735569715499878
+O=C1NC(=O)c2c1cccc2,0.18997661769390106
+C/C=C\C=O,0.4996512830257416
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.1567389965057373
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8629169464111328
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.948279857635498
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.9206188321113586
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.07063855975866318
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.829598605632782
+Cc1ccc(c(c1)N)N,0.8439717292785645
+CCN(C(=O)c1cccc(c1)C)CC,0.2881419062614441
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.17441241443157196
+C[C@@H]1O[C@H]1c1ccccc1,0.585702657699585
+O=Nc1ccc(cc1)c1ccccc1,0.783012866973877
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.21087884902954102
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.3493080735206604
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.20663204789161682
+CC(Cc1nccs1)C,0.034381695091724396
+O=CC1=CC[C@H](CC1)C(=C)C,0.1363898515701294
+OC(=O)CS.[Na+],0.14746376872062683
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.1684952974319458
+OC(=O)C1CC1,0.07406468689441681
+CC(C(=O)OC)CN=N#N,0.9959367513656616
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8840352892875671
+CNc1ccc(cc1)O,0.6651978492736816
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.13901372253894806
+OCCCCN(N=O)CC,0.9871307611465454
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.527540922164917
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9691780805587769
+NCCCN1CCN(CC1)CCCN,0.12898720800876617
+CCN(N(N=O)O)CC,0.9522510766983032
+c1ccc2c(c1)Sc1c(O2)cccc1,0.7267610430717468
+OCCN(C(=O)Nc1ccccc1)C,0.4228610098361969
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.8553706407546997
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8752957582473755
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.8355278968811035
+Nc1nc(N)c2c(n1)nc[nH]2,0.7388423681259155
+c1ccc[nH]1,0.15475192666053772
+CC(=O)OCc1ccc2c(c1)OCO2,0.26135343313217163
+c1ccc2c(c1)[nH]c1c2ccnc1,0.7854021191596985
+O=c1cc(n(n1c1ccccc1)C)C,0.19906459748744965
+Clc1ncccc1Cl,0.1291862577199936
+Cc1cc(N)cc(c1)N,0.7329191565513611
+Cl/C=C(\SCc1ccccc1)/Cl,0.4572876989841461
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.6735132336616516
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9936698079109192
+OC(=O)[C@@H]1CSCN1,0.06349281966686249
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9103621244430542
+CCBr,0.11599640548229218
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.8709896206855774
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.9295471906661987
+CCC1(C)CO1,0.3891807496547699
+CC1=CC1,0.30835744738578796
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.7508111000061035
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8052412867546082
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.8340004086494446
+Nc1ccc(cc1)C(=O)N,0.4987252354621887
+O=NN1CCCCCCCCCCCC1,0.7455304265022278
+CNC(=O)C1=NN=C([CH]1)Br,0.7316279411315918
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9929218292236328
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.944608211517334
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.04799765348434448
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.09957017004489899
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.7603194117546082
+CCN(CC)N,0.8648059964179993
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.3969973027706146
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.08285748213529587
+Cc1cc(C)cc(c1)O,0.11985840648412704
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.5715357065200806
+OCCc1ccc(cc1)[N+](=O)[O-],0.6154905557632446
+O=C1CC(=NN1c1ccccc1)C,0.25563737750053406
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.712904691696167
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9610103368759155
+Clc1cc(Cl)c(cc1Cl)Cl,0.07018674910068512
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9418765306472778
+C1CCC=CC1,0.04863526299595833
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.977544903755188
+CCCCCl,0.5092952847480774
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.43550196290016174
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9166046977043152
+COP(=S)(OC)Cl,0.3929603695869446
+Clc1ccc2c(c1)cccn2,0.41663113236427307
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.6730443835258484
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.062029410153627396
+ClC=C(C)C,0.7597647309303284
+COc1ccc(cc1N)C,0.5777141451835632
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.9429038166999817
+c1ccc(cc1)NN=Nc1ccccc1,0.8882758021354675
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.2978893220424652
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.09612815827131271
+C=CC(=O)OCCCCOC(=O)C=C,0.1348876953125
+ClCCCCN(COC(=O)C)N=O,0.9959462881088257
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8689678311347961
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9621326327323914
+CCc1ccccc1[N+](=O)[O-],0.7727978229522705
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.1679363250732422
+CCCCCCCCCC[C@@H]1OC1,0.20297221839427948
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.911463737487793
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.6292363405227661
+C/C=N\O,0.7227851152420044
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.6460190415382385
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.45466238260269165
+CNC,0.19088582694530487
+CN1CCC=C2C1CCc1c2nc(s1)N,0.7469207048416138
+OCC=C,0.3212133049964905
+C1CCC2C(C1)c1ccccc1C=C2,0.6006059646606445
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9725216031074524
+[O-][N+](=O)c1ccnc2c1cccc2,0.8399826884269714
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.6557868123054504
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.051759958267211914
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.02662985399365425
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.16367207467556
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.10021355003118515
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.012239796109497547
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.9313488006591797
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8033565282821655
+O=NN(Cc1cccc(c1)C)C,0.909369170665741
+ONc1ccc(cc1C)C,0.5683243870735168
+ClCCOP(=O)(OCCCl)OCCCl,0.9266107678413391
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.5990943908691406
+Clc1cccc2c1cccn2,0.5166820287704468
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.7429176568984985
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.6449407339096069
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9609782099723816
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.043698109686374664
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9274280667304993
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.04451678693294525
+BrCC(=C)Br,0.8791424632072449
+CC(=C)C(=O)OC[C@H]1CO1,0.8056772351264954
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.039214830845594406
+C=CCc1ccccc1OCC(CNC(C)C)O,0.12389516830444336
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.6085392236709595
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9067028164863586
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.2968900501728058
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.029716402292251587
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.13386687636375427
+CNC(=O)c1cccnc1S(=O)(=O)N,0.09067082405090332
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.08837858587503433
+CC(=O)c1ccccc1,0.14004036784172058
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.31924864649772644
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.955203652381897
+Cc1ccc2c(c1)ccc(=O)o2,0.7090796232223511
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.17818079888820648
+NNc1nnc(c2c1cccc2)NN,0.9252080917358398
+CC(CC1NC(=O)CNC1=O)C,0.0236424058675766
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.5415407419204712
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9519179463386536
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.6740083694458008
+OC(=O)c1c(N)cccc1N,0.25551867485046387
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9734560251235962
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.4191668927669525
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.5851766467094421
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.6203829646110535
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.1378202736377716
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.4773079454898834
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.2991448938846588
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.10770811885595322
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9408518075942993
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.7703607678413391
+Nc1sc2c(n1)c(Cl)ccc2,0.7524988651275635
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.8510395884513855
+CC[S@@](=O)CCSP(=O)(OC)OC,0.7249623537063599
+CCOC(=O)CBr,0.6018115878105164
+Fc1ccc2c(c1)cccn2,0.5351996421813965
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.4848324656486511
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.15344640612602234
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.1401519477367401
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.573194146156311
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.9870832562446594
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9468590617179871
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.01459155511111021
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.0568622462451458
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8229211568832397
+O=C(Nc1ccccc1C)CC(=O)C,0.22370076179504395
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.9397719502449036
+Fc1cc2ccccc2c2c1cccn2,0.8682757616043091
+CCCCCCCCCCCCCO,0.06932328641414642
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.25122201442718506
+CCCCCC(/C=C/C=O)O,0.17527560889720917
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.9140865206718445
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.436762273311615
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7408697009086609
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.05270238593220711
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9439805150032043
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.9320851564407349
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9948398470878601
+N#CC(N=NC(C#N)(C)C)(C)C,0.3669125735759735
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7680760622024536
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7012943029403687
+OC(=O)CCCCCCCCC(=O)O,0.020598620176315308
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9707220196723938
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.2829963266849518
+[O-][n+]1cccc2c1cccc2,0.7239271998405457
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.024736396968364716
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.25537940859794617
+COC(=O)c1oc(c(c1Cl)Cl)N,0.13253971934318542
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.7687866687774658
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.12130794674158096
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7676291465759277
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.02927475795149803
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7296246290206909
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.030608559027314186
+Nc1nc(NC2CC2)nc(n1)N,0.2707202732563019
+NC(=S)N,0.23544740676879883
+ClCC(CCl)O,0.9137579202651978
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4799632132053375
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.0885988250374794
+CCOc1ccc(cc1N)N,0.838437557220459
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.14490285515785217
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.28753894567489624
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.10655514895915985
+OCc1ccc(cc1)OC(=O)C,0.17814619839191437
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.13364994525909424
+O=NN(Cc1cccc(c1)OC)C,0.9402381777763367
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.5145984888076782
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.683925986289978
+ONc1cc(C)ccc1C,0.4981353282928467
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.7664541006088257
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.853351891040802
+CN(C=O)N,0.7009979486465454
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.057383257895708084
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.6703000664710999
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.06222780421376228
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9046046137809753
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.05680428817868233
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.2930487394332886
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9625474214553833
+O=Cc1ccccc1Cl,0.16864421963691711
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.7395466566085815
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.5290480852127075
+OCCCCCCC/C=C/C=C/C,0.14326243102550507
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.7115978598594666
+CCCCCCCCC,0.023031732067465782
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9821748733520508
+CN(NC(=O)CCC(=O)O)C,0.2560046911239624
+O1C[C@@H]1COc1ccccc1,0.9266412854194641
+CC(c1ccccc1)Br,0.15391257405281067
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.07830117642879486
+COc1nsc2c1cccc2[N+](=O)[O-],0.8311527371406555
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.18685241043567657
+O=c1ccc2c(o1)cccc2,0.36909952759742737
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.8485530614852905
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.17795808613300323
+CCOc1ccccc1OCC1CNCCO1,0.1650099754333496
+OCCN(c1ccc(cc1)C)CCO,0.5869867205619812
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.5175793170928955
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8707154393196106
+OC[C@@H](CCl)O,0.9404675364494324
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7825638055801392
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9497391581535339
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.38511955738067627
+N#Cc1cc(Br)c(c(c1)Br)O,0.029593313112854958
+Cc1ncc2c(n1)CCC2,0.06688051670789719
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.10949282348155975
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.8941380381584167
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.07828991115093231
+Nc1nc(N)c2c(n1)[nH]cn2,0.7658584117889404
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.31510576605796814
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.4503491520881653
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.964372992515564
+CCCCCOC(=O)C=C,0.0870773047208786
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.15156510472297668
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.8492006063461304
+O=CC1C=COC=C1,0.27951788902282715
+CCCCN(CCC(=O)OC)N=O,0.9736244082450867
+C1CC[C@@]2(CO1)CO2,0.5608264207839966
+CC(=O)Nc1ccc2c(c1)cccn2,0.44811591506004333
+Nc1cccc2c1snc2,0.7419742345809937
+C[C@H](C(=O)N)Br,0.6437739133834839
+[O-][n+]1ncc2c(c1)nccc2,0.7177338600158691
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.5601731538772583
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.5461313128471375
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.3033367693424225
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8832892179489136
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.03432660922408104
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.013556567952036858
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.9395332336425781
+S=C(Nc1ccccc1)Nc1ccccc1,0.12223100662231445
+O=NN(C(=O)N)CC(=O)O,0.7746645212173462
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.6792320013046265
+ClCc1ccc(cc1)F,0.21288707852363586
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.994987964630127
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.8043695688247681
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.8804012537002563
+c1ccc(nc1)c1cccnc1,0.2664514482021332
+Cc1ncc[nH]1,0.25215786695480347
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.03633437305688858
+CNC(=O)Nc1ccc(cc1)C(C)C,0.1623046100139618
+Cc1ccc2c(c1)ccc1c2cccc1,0.8846081495285034
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.8031733632087708
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.1408749520778656
+CCOC(=O)CNC(=O)CBr,0.8733646273612976
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.16025131940841675
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.5576019287109375
+CC(=O)CCOOCCC(=O)C,0.6770329475402832
+Nc1ccc(cc1)/C=C/c1ccccc1,0.8979046940803528
+O=NN(c1ccncc1)C,0.5944728255271912
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9879466891288757
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.179286926984787
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9542835354804993
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5918188095092773
+CON(C(=O)Nc1ccc(cc1)Br)C,0.761665940284729
+Nc1ccc2c(c1)nccc2,0.7241567373275757
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.2739618420600891
+O=c1oc2cccc3c2c2c1cccc2cc3,0.7239550352096558
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.4992136061191559
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.11645027250051498
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.7483741044998169
+Nc1ccc(cc1)S(=O)(=O)N,0.26926475763320923
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5538493394851685
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.22748175263404846
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.34810346364974976
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7785384654998779
+Cc1cccc(c1)C,0.126203715801239
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.17009326815605164
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.7785218358039856
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.8492147326469421
+N#CCc1ccccc1[N+](=O)[O-],0.8091022372245789
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8793724775314331
+n1ccc2c(c1)cnnc2,0.27537840604782104
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.7595211863517761
+CCc1cccc(c1N)C,0.41999635100364685
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9330819845199585
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.908207893371582
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5048869848251343
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.8634508848190308
+CCCCCCCCCCCC=C,0.03981008753180504
+Cc1ccc(cc1)Cc1ccccc1,0.11889053881168365
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.685903787612915
+OC(=O)C1(N)CCCC1,0.055613599717617035
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.16414354741573334
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.812069296836853
+OC(=O)c1cccc2c1OC(O2)(F)F,0.25676998496055603
+[O-][N+](=O)c1ccccc1c1ccccc1,0.6953052282333374
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.9124184846878052
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.3106464743614197
+BrC(=C)C=O,0.8296058773994446
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.2706117033958435
+ON=C1CCCCC1,0.4258759617805481
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.9291563034057617
+CCCCN(CCO)N=O,0.9805445671081543
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.34364384412765503
+CCc1cccc(c1N)CC,0.3068297505378723
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.15313486754894257
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.577649712562561
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8178857564926147
+CC(CC(=O)Nc1snc2c1cccc2)C,0.1345893144607544
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.02239886112511158
+C[Si](O[Si](C)(C)C)(C)C,0.13250242173671722
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.9001474380493164
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.6433196067810059
+CCc1ccccc1N,0.25886449217796326
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.796362042427063
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.5170376896858215
+C[C@@H](c1ccccc1)N(C)C,0.1273828148841858
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.6984381675720215
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8691314458847046
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.519929051399231
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.21543565392494202
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.601291298866272
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8173909187316895
+C=CC(=O)NC(CC(=O)C)(C)C,0.1048893928527832
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.731391191482544
+NCCc1c[nH]cn1,0.07437397539615631
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.7115430235862732
+C1CCOCO1,0.040895093232393265
+NNc1ccccc1[N+](=O)[O-],0.8985288739204407
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.061781059950590134
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.052226483821868896
+Cc1cc2ccccc2c(c1)C,0.5642809271812439
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.2243148386478424
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.626663863658905
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.49871617555618286
+Cc1n[nH]c(=O)[nH]c1=O,0.3113834261894226
+CCCCOC(=O)C,0.21314737200737
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.7083298563957214
+CC[P@](=S)(Sc1ccccc1)OCC,0.07670549303293228
+Cc1cc(O)nc(n1)S,0.1662674844264984
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8791545033454895
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5315704345703125
+Cc1ccccc1S(=O)(=O)N,0.10611791908740997
+C/C(=C\C=O)/Cl,0.5655113458633423
+CCCCCC[C@@H]1OC1,0.6943260431289673
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9210836291313171
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.23545122146606445
+CCCCSCCC(C(=O)O)N,0.08361750096082687
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.891795814037323
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.28627532720565796
+ClCc1ccccc1CCl,0.7953196167945862
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.03747642785310745
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8486213684082031
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.5174072980880737
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.811414361000061
+Oc1ccc2c(c1N)cccc2,0.7081649899482727
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.3820400834083557
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8681877255439758
+COc1ccc(cc1)CC1OC1,0.7759158611297607
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.5306454300880432
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.7475095987319946
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.5445879697799683
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.7256925106048584
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.1527545005083084
+CCCCC/C=C\C=C/C=O,0.4157722592353821
+CCN([N+](=NO)[O-])CC,0.9320378303527832
+Fc1cccc(n1)F,0.12217529118061066
+Clc1ccc(cc1)C[C@@H]1OC1,0.8452785611152649
+O=S1(=O)CCCCO1,0.5444896221160889
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.31018680334091187
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.7691851854324341
+O/N=C/C=N/O,0.5422658920288086
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8694915771484375
+CC(C(C)(C)C)OP(=O)(Cl)C,0.11255880445241928
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.29527655243873596
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.7574329972267151
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.8104020953178406
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.7227562069892883
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.4882712960243225
+Clc1ccc(c(n1)C(=O)O)Cl,0.08327028155326843
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.2570335268974304
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.5515313744544983
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.7479444742202759
+OCNC(=O)CCl,0.9128885269165039
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.1647229641675949
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.08421424776315689
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7876067757606506
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9875972867012024
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.3235502243041992
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8512727618217468
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9957891702651978
+ONC(=O)c1ccc(c(c1)O)O,0.6747865676879883
+NC(=O)c1ccccc1C(F)(F)F,0.037571828812360764
+Cc1ccc(c2c1cccc2)C,0.6694913506507874
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.2802795469760895
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.3412920832633972
+N#CCCNCCC#N,0.6879482269287109
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.19785749912261963
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8690178990364075
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.26809197664260864
+Clc1ccc2c(c1)c1ccccc1o2,0.6709518432617188
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.8544450998306274
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.1345667839050293
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.8909691572189331
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.14264877140522003
+c1ccco1,0.1378878802061081
+C=CC(=O)OCC(C)(C)C,0.09065183252096176
+COCC(=O)O,0.35605013370513916
+CCCCOc1ccc(cc1)N=O,0.8869069814682007
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.08688809722661972
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.12460815906524658
+NNC(=O)CNc1ccc2c(c1)cccc2,0.8029128909111023
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.08174090087413788
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.13879625499248505
+COC(=O)c1ccc(cc1)CN(N=O)C,0.8702219128608704
+Nc1cccc(n1)N,0.21054227650165558
+O=C=Nc1ccc(cc1)N=C=O,0.30716127157211304
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.9490208625793457
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7932723164558411
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.8938096761703491
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.6128863096237183
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7055153846740723
+NCCN1CCNCC1,0.2243695706129074
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.7707401514053345
+O=NN1CCN(CC1)C,0.9055913090705872
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9587418437004089
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.7255464196205139
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.10181975364685059
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9452600479125977
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.8964389562606812
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.1936827450990677
+c1cnc2c(c1)ccc1c2cccn1,0.7497474551200867
+BrCCC(Br)Br,0.7028218507766724
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.6017972230911255
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8245311975479126
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8323200941085815
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.5389580726623535
+CC([N+](=O)[O-])C,0.6527479290962219
+NCCCNCCCCN(N(N=O)O)CCCN,0.9734010696411133
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.08034233748912811
+O=C1C=CC(=O)C1(Cl)Cl,0.7919198274612427
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.21462753415107727
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.1651412546634674
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.7823518514633179
+c1ccc2c(c1)c(OCC1CO1)ns2,0.978634238243103
+O=C(C1OC1)NCc1ccccc1,0.7844717502593994
+c1ccc2c(c1)occ2,0.26911652088165283
+CNC(=O)ON(C(=O)NC)C(=O)C,0.6449616551399231
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8200702667236328
+Cc1ccc(cc1)Br,0.12732020020484924
+Nc1[nH]nc(n1)N,0.13468489050865173
+O=C/C(=C/c1ccccc1)/C,0.19087707996368408
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.41999298334121704
+CN[C@H](Cc1ccccc1)C,0.06985626369714737
+Cc1c[nH]cn1,0.17845864593982697
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.432889848947525
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8667144775390625
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.6843569874763489
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.40080419182777405
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.5753059983253479
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.8905700445175171
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.9030991792678833
+O=NN1CCCCC1,0.9065593481063843
+Oc1cc(=O)[nH]c(n1)N,0.24536964297294617
+CCCCOC[C@H]1CO1,0.8993666768074036
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.05338159203529358
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7713823318481445
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.07631579786539078
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.4360901713371277
+Nc1ccccc1S(=O)(=O)O,0.08271606266498566
+C=CCOC(=O)CC(C)C,0.13782724738121033
+Nc1nc(N)nc(n1)N,0.30982187390327454
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.1484687626361847
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.6239315271377563
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.12922832369804382
+Cc1ccc(cc1)C(C)(C)C,0.026141082867980003
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8667144775390625
+CC(=C)C1CO1,0.9334189295768738
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.6912809610366821
+[O-][N+](=O)c1ccccc1C(=O)O,0.5831127166748047
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.00979679636657238
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9539996385574341
+BrCC1=C(Br)C(=O)OC1,0.9647059440612793
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.994269073009491
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.6210482716560364
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.05094434693455696
+COc1ccccc1c1ccccc1,0.38745132088661194
+CC1=CC[C@@H](CC1)C(=C)C,0.032855868339538574
+ClC(C(=O)O)Cl,0.5974024534225464
+O=Nc1cccc(c1)c1ccccc1,0.7842223048210144
+Cc1cc2cccnc2c(c1)C(=O)O,0.13128288090229034
+COc1ccc(cc1)CC[C@@H]1OC1,0.9534705281257629
+OC(=O)CCc1c[nH]c2c1cccc2,0.03425949066877365
+O=NN1CN2CN(C1)CN(C2)N=O,0.8432208299636841
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.4267847537994385
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.04273127764463425
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.6985144019126892
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7952346205711365
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.31835076212882996
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.07042473554611206
+[N-]=[N+]=NCc1ccccc1,0.9142888188362122
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9881775975227356
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.8018997311592102
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.1953810155391693
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.3232089579105377
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.4228597581386566
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.5068756341934204
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.3453178405761719
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.9306066632270813
+Nc1ccc(cc1)[N+](=O)[O-],0.8355124592781067
+CNc1ccc2c(c1N)cccn2,0.8585399389266968
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.4733051359653473
+NCCC#N,0.09021131694316864
+COc1ccc(cc1)N=O,0.8265624046325684
+Cc1ccc(cc1)C[C@@H]1OC1,0.7382327318191528
+OC(=O)CCC(=O)O,0.026884201914072037
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.55145663022995
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.8594502210617065
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7112770080566406
+O=NN1CC[C@H](C1)O,0.9870551824569702
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.7375587224960327
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.6996146440505981
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.022464929148554802
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.08743397146463394
+O=C(C(Br)(C)C)NCc1ccccc1,0.3335878252983093
+CC1=CC(C)(C)Nc2c1cccc2,0.2131946086883545
+O=C(C(C)C)Nc1snc2c1cccc2,0.18522600829601288
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.7739251852035522
+O=C1C=C(C)C(=O)C(=C1)C,0.38026347756385803
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9285486936569214
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.9372475743293762
+CC(=O)c1ccc2c(c1)cccc2,0.8123093843460083
+CCCCOC(=O)C(=C)C,0.3925308287143707
+CC/C=C/1\OC(=O)c2c1cccc2,0.2519075274467468
+Clc1ccc(c(c1)C)N,0.7371207475662231
+Oc1ccc2c(c1)nc([nH]2)N,0.06310641765594482
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9074742197990417
+NC(=O)C1CO1,0.9045413136482239
+ClCC(=O)c1ccccc1,0.8618015050888062
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.025444647297263145
+O=CC(=C(Cl)Cl)Cl,0.6902285814285278
+CC(COC(=O)C(=C)C)O,0.14070333540439606
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.01819514110684395
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.6623067855834961
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.8588230013847351
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.2672974467277527
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.29416221380233765
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8171483874320984
+CNC(=O)CSP(=O)(OC)OC,0.2258007973432541
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.7263919115066528
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.6939082145690918
+COc1cc(Cl)c(cc1Cl)OC,0.19268694519996643
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.15936794877052307
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.5701439380645752
+N#Cc1ccccc1C,0.20652881264686584
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.8470296859741211
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.25356945395469666
+Oc1cccc2c1OC(C2)(C)C,0.12823328375816345
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.8309944868087769
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.9429801106452942
+CC(=O)Nc1ccccc1C,0.18546538054943085
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.0514497384428978
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.15012992918491364
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8107705116271973
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.77321857213974
+CC(c1cc(ccc1N)c1ccccc1)C,0.6913514733314514
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.17244121432304382
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.1488955318927765
+O=C1c2ccccc2C(=O)c2c1cccc2,0.534941554069519
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.7194446325302124
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.7267758846282959
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.7268006205558777
+CCn1c(N)nc2c1ccc1c2cccn1,0.926050066947937
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.11759556829929352
+O=CCC=O,0.44613808393478394
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.957476794719696
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.04983782768249512
+Oc1cccc(c1)[N+](=O)[O-],0.7232400178909302
+C=CCNCC=C,0.17594154179096222
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.01573885977268219
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7395459413528442
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.44242626428604126
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.1586841642856598
+ClCCOC/C(=C\Cl)/Cl,0.9599967002868652
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.25517258048057556
+Oc1c2ccccc2nc2c1cccc2,0.369446724653244
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.1539231389760971
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8507819175720215
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.5053858160972595
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.22117571532726288
+N1C(=O)C(=N#N)C=NC1=O,0.8319323658943176
+Clc1nncc2c1ccnc2,0.35084378719329834
+COc1nsc2c1ccc(c2)N,0.9506918787956238
+O=C1CCCC=C1,0.3243335485458374
+COc1nsc2c1cc(N)cc2,0.7304696440696716
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.7602074146270752
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9855626821517944
+Clc1nncc2c1cncc2,0.30074864625930786
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5080022215843201
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.9028648138046265
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.9128273129463196
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.7480691075325012
+NS(=O)(=O)c1cccc2c1nccc2,0.1513470858335495
+OCc1ccc(cc1)C,0.09637457132339478
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.23783966898918152
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.06773199886083603
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.12008478492498398
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.5445879697799683
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7033759355545044
+N#CC1(O)CCCCC1,0.04724281281232834
+Oc1ccccc1,0.05291176587343216
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6841012239456177
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.7923463582992554
+COc1ccc(c(c1)OC)N,0.5532301664352417
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.9095622301101685
+OC(=O)c1ccccc1.[Na+],0.057735808193683624
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.7901672124862671
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8756706118583679
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6542978882789612
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.33867916464805603
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.5519367456436157
+Cc1ccc(cc1)N(C(=O)C)O,0.7542650103569031
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.924580454826355
+CCC#N,0.05236077308654785
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6727227568626404
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9606186747550964
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.2229657918214798
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9368022084236145
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.03995625302195549
+CCOc1nc(NC)nc(n1)N,0.1338796317577362
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.12694481015205383
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.10994098335504532
+NC(=S(=O)=O)N,0.25897544622421265
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.3298482298851013
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.5877338647842407
+Ic1cc2cccnc2c(c1)C(=O)O,0.11573521047830582
+C=Cc1ccccc1C=C,0.23938755691051483
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.08310450613498688
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7916752696037292
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.020922796800732613
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.08012731373310089
+ClCC(C(=C)Cl)Cl,0.8352513313293457
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.7893835306167603
+On1nnc2c1cccc2.O,0.607664942741394
+NC(=O)CNC(=O)C=N#N,0.9792221188545227
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.03695473074913025
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7961239814758301
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.9361646771430969
+CCOC(=O)C,0.3997427225112915
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7936834096908569
+Clc1ccc(c(c1)C(=O)O)O,0.1599247008562088
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8684353828430176
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.04392125457525253
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9325655698776245
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9788039326667786
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.5185574293136597
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.8436257243156433
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.6411491632461548
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7665902972221375
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.8591690063476562
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8917824625968933
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.04119505360722542
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.26677608489990234
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.9437052011489868
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.6429453492164612
+CCCCCCC[C@@H]1CCC(=O)O1,0.06302439421415329
+CCNC(=S)NCC,0.18219655752182007
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.5277653932571411
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.12326028198003769
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.443661630153656
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.5718547105789185
+COc1cc(C=C)ccc1O,0.22288694977760315
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.12826207280158997
+Brc1ccccc1c1ccccc1,0.320293128490448
+O=CCC(CCC=C(C)C)C,0.1782740354537964
+CCCCCCCCC=C,0.03478166460990906
+Clc1cccc(c1)Br,0.2517462372779846
+Cc1ccc(c(c1)O)O,0.24321357905864716
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.10077454149723053
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.8300012350082397
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.6894158124923706
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.02873971499502659
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.035358626395463943
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.30562469363212585
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.45882853865623474
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.03537210077047348
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.5584760308265686
+O=NN1CCNC1=O,0.9694256782531738
+Oc1nc2c(C)cccc2nc1O,0.3891928195953369
+O=NC([N+](=O)[O-])(C)C,0.7368208765983582
+Cc1cc(C)cc(c1)C,0.07773329317569733
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.19627833366394043
+OCCOCC,0.6268151998519897
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8242603540420532
+N1CC1,0.6371978521347046
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9276420474052429
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.7137006521224976
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.6603350639343262
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8178857564926147
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.6443816423416138
+OS(=O)(=O)ONNCCc1ccccc1,0.3476669490337372
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.14281794428825378
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.8943459391593933
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.6929386854171753
+OCCc1c[nH]c2c1cccc2CC,0.1769644320011139
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.8969565629959106
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.7167930006980896
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.8179777264595032
+CCOCCOCC,0.250715970993042
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.02306630089879036
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.7455129623413086
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8772825002670288
+O=C/C=C\c1ccco1,0.5625765919685364
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.644794762134552
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.02823285199701786
+Oc1ccnc2c1cccc2,0.3798609673976898
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.09398870915174484
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.7780791521072388
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.12563934922218323
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.21118387579917908
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.46014419198036194
+CNc1snc2c1cccc2,0.6941803693771362
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8919408917427063
+CC(c1ccc(cc1)NC(=O)N)C,0.3298906087875366
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.7332903742790222
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.037701018154621124
+CC(=C)C=O,0.5056663751602173
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.07976138591766357
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.9297398328781128
+CC(CCOC(=O)C)C,0.1498829424381256
+CCCCN(CCCC(=O)O)N=O,0.9867070317268372
+c1ncc[nH]1,0.35004299879074097
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9469732046127319
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.02250048890709877
+CC(=CC1C(C1(C)C)C(=O)O)C,0.13142354786396027
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.2392408549785614
+CCN1CCNC(=O)C1=O,0.3406018018722534
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.7572650909423828
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.6469903588294983
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.9358965158462524
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9545730352401733
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.30180901288986206
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.2005346566438675
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.7708054780960083
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.6889848709106445
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.4225781559944153
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9302297830581665
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9683534502983093
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.717326283454895
+Oc1ncnc(n1)O,0.16110371053218842
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.13944867253303528
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.6128863096237183
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.344822496175766
+BrC(C(=O)O)Br,0.5628394484519958
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.5666293501853943
+C1CC[C@H]2[C@@H](C1)O2,0.23371830582618713
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8280999064445496
+CC(Cl)(Cl)C,0.1657826453447342
+Nc1cccc2c1nc1cccc(c1n2)N,0.8517844080924988
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.0579947903752327
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.03131910040974617
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8967628479003906
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.20846395194530487
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.8595048189163208
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9409381151199341
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.0716557726264
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7342246770858765
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.892572283744812
+N#C/C=C/C#N,0.12023041397333145
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.6370853185653687
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9565299153327942
+OC1COC(=C(C1=O)O)C,0.21996288001537323
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6992183327674866
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7188323736190796
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9835449457168579
+O=CC(=O)C,0.38661012053489685
+Oc1cnnc(n1)O,0.17635248601436615
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.06518326699733734
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9365459680557251
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.8530203104019165
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9300943613052368
+CCCC(=O)c1cc(O)c(cc1O)O,0.34316617250442505
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.07411330938339233
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7569974660873413
+OC(=O)c1cccnc1,0.03917292505502701
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.36084818840026855
+ON1C(=O)CCC1=O,0.24530935287475586
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.15834221243858337
+CC1CCN(CC1)N=O,0.9099375009536743
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.05093981698155403
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.02983010932803154
+CCCCCCCC1CCC(=O)O1,0.06302439421415329
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7328916788101196
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.12634706497192383
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.2865616977214813
+N#C/C(=C\c1ccco1)/C(=O)OC,0.2656451165676117
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8622260093688965
+CCCCOC(=O)c1ccccc1N,0.17304125428199768
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9523603320121765
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.048265691846609116
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.18363583087921143
+COCCOC,0.30244630575180054
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9304590225219727
+Clc1ccc(cc1)Cl,0.14922906458377838
+Cc1c[nH]c(=S)[nH]c1=O,0.3168241083621979
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.06086141616106033
+CCOC(=O)CCl,0.8657453656196594
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.6719971895217896
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.24976301193237305
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.04118197783827782
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.3533436059951782
+Clc1ccc(c(c1)C)O,0.17479613423347473
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.11971721798181534
+N#N=NCCC(C(=O)O)N,0.9612807035446167
+NCCN,0.6494281888008118
+C[C@H]([C@H](O)C)O,0.15373429656028748
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.7679963111877441
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.034822411835193634
+O=C(C(Br)C)NC(C)(C)C,0.7860071659088135
+NCCNCCN,0.749750018119812
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.6367923021316528
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9212026596069336
+COCC(=O)Nc1c(C)cccc1C,0.3614044189453125
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8326603174209595
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.16414354741573334
+CC(=O)Nc1ccccc1,0.11284291744232178
+Clc1ccc2c(c1)nc(n2C)N,0.6663326025009155
+COS(=O)(=O)C(F)(F)F,0.4892300069332123
+CC(=O)OCN=[N+](C)[O-],0.8651167750358582
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.5329704284667969
+Oc1ccc(cc1)O,0.07878901064395905
+O=c1[nH][nH]c(=O)c2c1cccc2,0.24696092307567596
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.8183552622795105
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.6612433195114136
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.9025121927261353
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5112243890762329
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.30192381143569946
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.4953971803188324
+Nc1cn[nH]c(=O)c1Cl,0.3172474801540375
+CC(F)(F)F,0.04275467246770859
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.29788997769355774
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.8848577737808228
+Oc1cccc(c1C)O,0.1464718133211136
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6317647695541382
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.20911888778209686
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.959276020526886
+C([C@@H]1OC1)Cc1ccccc1,0.9517093896865845
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.5815281867980957
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.41728097200393677
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.21045871078968048
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.1707451045513153
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.8211801648139954
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.059391558170318604
+[O-][N+](=O)c1cnc(s1)N,0.8910280466079712
+[O-][N+](=O)c1ccc(o1)CNCCO,0.7480031251907349
+CCCOC(=O)C(=C)C,0.30379629135131836
+BrCc1ccccc1CBr,0.7917992472648621
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9441207647323608
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7175878286361694
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.09240520000457764
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9892308115959167
+C=CC(=O)OCCOC(=O)C=C,0.2757388651371002
+Clc1ccc(cc1)C(=O)Cl,0.5863801836967468
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.06935491412878036
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.9633519053459167
+O=Cc1cccnc1,0.24755224585533142
+CNc1nc2c(n1C)ccc1c2cccn1,0.8152357339859009
+COC(=O)c1ccc(cc1)C,0.2529860734939575
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.036319416016340256
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.24547035992145538
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8836053609848022
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.026678452268242836
+c1ccc2c(c1)[nH]cn2,0.3417147994041443
+Oc1cccc(c1)N(C)C,0.2559475600719452
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8218719363212585
+CCCCCCCCCCCCCCCCCCO,0.029466737061738968
+OCCN(C(C)(C)C)CCO,0.11973748356103897
+O=NN(c1ncn(c1C(=O)NC)C)C,0.8588229417800903
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.7460586428642273
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9915863275527954
+C[Si](N[Si](C)(C)C)(C)C,0.09844201058149338
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.024960454553365707
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.07406383007764816
+Fc1cccc2c1c1cccnc1cc2,0.7860361933708191
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.047062329947948456
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.7844198942184448
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.051207125186920166
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.6720126271247864
+O1CCOCCOCCOCCOCC1,0.20549330115318298
+CCCCCCCCCCCCCl,0.07279393821954727
+OC1C2OC2c2c(C1O)cccn2,0.36867573857307434
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.717249870300293
+Oc1cc(O)cc(c1)O,0.1631932556629181
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.7340540885925293
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.4497256278991699
+S(Cc1ccccc1)Cc1ccccc1,0.47338008880615234
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.04771604388952255
+c1ccc(cc1)N/N=N/c1ccccc1,0.8317659497261047
+O=C/C=C/C=O,0.4199454188346863
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.06542672961950302
+COc1cc(CCC(=O)C)ccc1O,0.17707154154777527
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8119750022888184
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.041114483028650284
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.22803997993469238
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.06119631603360176
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7943180799484253
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.5103691816329956
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5515726804733276
+Clc1ccc(cc1)S(=O)(=O)C,0.21380242705345154
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.18979516625404358
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.1509273648262024
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.09484542906284332
+COCC12OOC2(C)c2c(O1)cccc2,0.83722984790802
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.8075369596481323
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.8483254313468933
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9245941042900085
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.6406688690185547
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9706794023513794
+CN(CCN(C)C)C,0.0895320326089859
+O=Cc1c(Cl)cccc1Cl,0.3308968245983124
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.5588239431381226
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.055830735713243484
+ClC(C(=O)C(Cl)Cl)Cl,0.9214905500411987
+O=CCCCC=O,0.7881213426589966
+CSC(=O)c1cccc2c1snn2,0.42356857657432556
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.4037831425666809
+COc1nc(NC(=O)N)nc(c1)OC,0.2879197597503662
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.2001771628856659
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9953237771987915
+Cn1cnc2c1ccc1c2cccn1,0.9149833917617798
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.09000667184591293
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.05029071122407913
+OCCN(C(=O)N)N=O,0.7291200757026672
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.12939658761024475
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.995390772819519
+BrCC(=O)c1cccc(c1)OC,0.3903566598892212
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.13068462908267975
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.7013274431228638
+CC(CCNc1snc2c1cccc2)C,0.3780015707015991
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.8261696100234985
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.28430289030075073
+Nc1ccc2c(c1)cns2,0.6730738878250122
+BrCc1cccc(c1)CBr,0.7981460690498352
+CN1CN(C)CSC1=S,0.27015456557273865
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.2005346566438675
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.9783958196640015
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.4794752597808838
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.981165885925293
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.10622595250606537
+COCCO,0.3507477641105652
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.3736974000930786
+Cc1ccc(cc1C)S(=O)(=O)O,0.09268849343061447
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.030740534886717796
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.05894101411104202
+CC(C1=CC(=O)C(=CC1=O)C)C,0.3416684567928314
+CC(S)C,0.24539180099964142
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.31839123368263245
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9367421269416809
+COC(=O)C1=CCCN(C1)N=O,0.8212429285049438
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9912964701652527
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.18300293385982513
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8845828175544739
+Nc1ccccc1,0.5119420886039734
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.6180645227432251
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.27706554532051086
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.0992121547460556
+C[C@@H](c1ccccc1)CCc1ccccc1,0.0625990629196167
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.3261761963367462
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.0601077675819397
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.8516170382499695
+CC(=O)OCN([N+](=O)[O-])C,0.792188286781311
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.04073503613471985
+C=C[C@@](CCC=C(C)C)(O)C,0.06781721860170364
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.12302951514720917
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.0296215508133173
+O[C@@H]([C@H]1CO1)CO,0.8035327196121216
+COc1cc(C=O)c(cc1OC)OC,0.2808169722557068
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8418068885803223
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.79780113697052
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.035381071269512177
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.37125831842422485
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8822615742683411
+CCCC(C(=O)O)CCC,0.02875836193561554
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9178673624992371
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.6740528345108032
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.3957517445087433
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.6058463454246521
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8516992330551147
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.7156701683998108
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.276160329580307
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.4051033854484558
+OCCc1ccccc1,0.07099977135658264
+COc1c2cccc(c2nc2c1cco2)O,0.5664686560630798
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.4779302179813385
+CC([N+](=O)[O-])(C)C,0.47132420539855957
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.6986132860183716
+c1ccc(cc1)NNc1ccccc1,0.6170009970664978
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8531976938247681
+ClCCN(CCCl)C,0.636674165725708
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.178481787443161
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.34156152606010437
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.20528869330883026
+C=Cc1ccc(cc1)C,0.18227772414684296
+NC[C@H](N)C,0.4166497588157654
+Cc1ccc(cc1)[N+](=O)[O-],0.7037705183029175
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.7925301790237427
+C[C@H](CO)Cl,0.8737777471542358
+BrCCBr,0.6658721566200256
+CON,0.31562742590904236
+O=c1n(CC2CO2)sc2c1cccc2,0.9565760493278503
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.14895470440387726
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.02412576787173748
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.25746434926986694
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.8766664266586304
+COP(=O)(SC)SC,0.3138095736503601
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.6696155667304993
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.7002202868461609
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.5308101773262024
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9655243754386902
+ONc1cccc(c1)C,0.6123741865158081
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.10635695606470108
+CC(=O)OCC=C,0.15698276460170746
+NC(=S)c1c(Cl)cccc1Cl,0.14035183191299438
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.2956450581550598
+ClCC1=C(Cl)C(=O)OC1O,0.9431778192520142
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.798117458820343
+CC(C(=O)N(Cc1ccccc1)C)Br,0.9625212550163269
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.10105490684509277
+Oc1ncnc2c1cccc2,0.17640945315361023
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.1080925241112709
+O(Cc1ccccc1)CC1OC1,0.9991868734359741
+Cn1c2ccccc2c2c1cccc2,0.9398895502090454
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9411411285400391
+COC(=O)C=C,0.18050460517406464
+Oc1ccc(cc1)c1ccc(cc1C)N,0.7886492013931274
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.17286762595176697
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.3204614520072937
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.9896934628486633
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9465201497077942
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.37562769651412964
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.6759780049324036
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.8443635702133179
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.941451907157898
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.23571279644966125
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.9357917904853821
+Oc1ccc2c(c1N)cccc2.Cl,0.6619390845298767
+Fc1cnc2c(c1)c(F)ccc2,0.3648397922515869
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9519861936569214
+O=C(Nc1ccccc1)Nc1ccccc1,0.13609854876995087
+CN(C(=S)N(C)C)C,0.5829766392707825
+CCCCCOc1ccc(cc1)N=O,0.9109904170036316
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.8481170535087585
+Clc1c(Cl)ccc(c1Cl)Cl,0.17684698104858398
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.901272177696228
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.9086980819702148
+Brc1ccc(cc1)[N+](=O)[O-],0.6225545406341553
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.14249546825885773
+O1OC2c3c(C1c1c2cccc1)cccc3,0.7242386937141418
+CC1=CC(=O)C(=CC1=O)C,0.22632713615894318
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.058403968811035156
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.9145719408988953
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.7597593069076538
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6789751052856445
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.9171966314315796
+COc1cc(ccc1OC)CC1CO1,0.9216439127922058
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.3318665623664856
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.812452495098114
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.4453222155570984
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.030407752841711044
+COc1ccc(cc1)[N+](=O)[O-],0.669766902923584
+C=CN=Nc1ccccc1,0.5825226306915283
+N#Cc1ccc(cc1)C,0.5670561790466309
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.08659763634204865
+Nc1cccc2c1c(N)ccc2,0.8239808082580566
+O=C1CCCO1,0.36913180351257324
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.12151458114385605
+OCCCN=N,0.7384941577911377
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.6926771998405457
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9234787821769714
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.20183846354484558
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.8422161936759949
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.8454257249832153
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.04667941480875015
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.7744134664535522
+Clc1cc(Cl)c(c(c1)Cl)N,0.7109659910202026
+Oc1[nH]cnc2-c1cnn2,0.1578054577112198
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.30633825063705444
+O=C([C@]1(C)OC1)Nc1ccccc1,0.9661377668380737
+c1ccc(cc1)/N=N/c1ccccc1,0.8431965112686157
+CNNC,0.6761233806610107
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.3197533190250397
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.7829386591911316
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.03280247002840042
+O=CC(=C(C)C)Cl,0.9083656072616577
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.7528039216995239
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.14859291911125183
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.7717085480690002
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.5916696190834045
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5474332571029663
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.9367415308952332
+ONc1ccc(cc1)C,0.8628487586975098
+[O-][N+](=O)c1cccc2c1nccc2,0.7711130380630493
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6627023816108704
+O=C(C(=O)O)C(=O)O,0.3322601020336151
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.07721294462680817
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.7173519134521484
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.81267911195755
+O=C1CCCCCO1,0.1192101240158081
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.1175084337592125
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.6573297381401062
+CC(=O)Oc1ccccc1C(=O)O,0.10020341724157333
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.34419459104537964
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.14148776233196259
+C(Sc1ccccc1)CSc1ccccc1,0.1027078852057457
+ClCCSCCCl,0.6350733041763306
+Clc1cc(Cl)cc(c1)Cl,0.08837263286113739
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.08129419386386871
+COc1cccc2c1OC1(C2(C)OO1)C,0.20964877307415009
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9966758489608765
+ONC(=O)Cc1cn(cn1)N=O,0.9168676137924194
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.670038104057312
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.7902213335037231
+Nc1cc2ccccc2c2c1cccc2,0.891922116279602
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.23560309410095215
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.14550772309303284
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.11590875685214996
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9048260450363159
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.011040120385587215
+CN(c1ccc(cc1)N)C,0.7960346937179565
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.8031939268112183
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.3100792169570923
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.861169695854187
+CCCCN(CC(=O)CC)N=O,0.9162569046020508
+CCN(c1ccc(cc1)N=O)CC,0.8611589670181274
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.3012672960758209
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.7774074673652649
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9845870137214661
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8434537053108215
+CCCCN(CCCCO)N=O,0.9831370115280151
+OC(=O)c1ccccc1C(F)(F)F,0.056026559323072433
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.9280288815498352
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.48940029740333557
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.04790220037102699
+OC(=O)COc1ccccc1,0.35520830750465393
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8547989130020142
+NCCc1ccc(c(c1)O)O,0.5177412033081055
+Fc1cnc2c(c1)c(N)ccc2,0.9384886622428894
+Nc1n[nH]cn1,0.41116863489151
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.1748420000076294
+CCCCCCCCCCCCCC[C@@H]1OC1,0.1617329865694046
+COc1nncc2c1cncc2,0.3593977987766266
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9947130084037781
+CC(C#N)O,0.11083205044269562
+CCCCCCC(=O)O,0.02305598184466362
+ONC(=O)CNC(=O)c1ccccc1,0.7959246635437012
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.7490558624267578
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.7724870443344116
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.11951439082622528
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.7771665453910828
+ClCCN(C)C,0.6507808566093445
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.19502633810043335
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9556208848953247
+CNCC(c1ccc(c(c1)O)O)O,0.6513954997062683
+C[C@H]1CN1,0.6153391599655151
+BrC[C@H](c1ccccc1)Br,0.62419593334198
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.13923585414886475
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.6288050413131714
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.1874597668647766
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.737611711025238
+CCOP(=S)(SCCl)OCC,0.3103865683078766
+CCOS(=O)(=O)c1ccccc1,0.40153616666793823
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.15610651671886444
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.8613837361335754
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.8474242091178894
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.879058837890625
+CCOC(=O)CNC(=O)[C@H](Br)C,0.9500775337219238
+CC(Cl)C,0.26606327295303345
+OOC1(C)c2ccccc2-c2c1cccc2,0.7725785970687866
+O=NN1CCC(=O)CC1,0.9779717326164246
+Cc1c(N)cccc1Cl,0.5221270322799683
+Oc1cccc2c1cccn2,0.229196697473526
+CCC(CO)(CO)CO,0.23786087334156036
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.7295669317245483
+NC(=O)c1cnccc1C(F)(F)F,0.050834428519010544
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.12699246406555176
+COS(=O)(=O)F,0.37544676661491394
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.3578470051288605
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6731065511703491
+Fc1ccc(c(c1)F)N,0.8982781171798706
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.040685828775167465
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.83287113904953
+CN(C[C@@H](Cl)C)C,0.7045614123344421
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.3023180365562439
+COc1cc(ccc1O)CC1CO1,0.9444519877433777
+OC(=O)C[C@@H](C(=O)O)Cl,0.6609214544296265
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.9094712138175964
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.07120202481746674
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.047888897359371185
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.904753565788269
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.3011102080345154
+BrCCSCC(C(=O)OC)NC(=O)C,0.9755784273147583
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.7787322402000427
+COP(=O)(OC=C(Cl)Cl)OC,0.8070810437202454
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.10211332142353058
+CCCCN(C(=O)N)N=O,0.9363376498222351
+COc1ccc(cc1)CC=C,0.10546854883432388
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.056726329028606415
+Cn1c(N)nc2c1cc1ncccc1n2,0.9351372718811035
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9017046689987183
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.790544867515564
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.4356326162815094
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.503522515296936
+N#N=NCC1OC(O)C(C(C1O)O)O,0.9135177731513977
+OCCOCCOCCO,0.5891574621200562
+CC(c1ccc(cc1)C(C)(C)C)O,0.0722406879067421
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9538201093673706
+COc1ccccc1N.Cl,0.6170669794082642
+Clc1cccc2c1c1ccccc1o2,0.6147225499153137
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.15619350969791412
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.11734730005264282
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.2157336175441742
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.4416649341583252
+[O-][N+](=O)c1cnc(n1C)C,0.4785776138305664
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.827114462852478
+Cc1cc(=O)[nH]o1,0.4144228994846344
+ClC(=O)Cc1ccccc1,0.6464396119117737
+OC(=O)CC(C(=O)O)O,0.06943084299564362
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.781587541103363
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.2552393674850464
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8946844935417175
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.25747236609458923
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.8813241124153137
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.9150859117507935
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.06145722419023514
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8912064433097839
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.8734489679336548
+C1CC23C(C1)(O3)C=CC=C2,0.19265297055244446
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9521695375442505
+CC1=CC[C@H](CC1)C(O)(C)C,0.05827857181429863
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.6425495743751526
+CC(OC)CCO,0.15640829503536224
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.662524938583374
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.7713982462882996
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.8127269744873047
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.35825878381729126
+CCOCC=O,0.6162540316581726
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7570661902427673
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.4328206479549408
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.1446569859981537
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.1550532877445221
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.03389062359929085
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9731265306472778
+c1ccc2c(c1)cncc2,0.36990442872047424
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.15775635838508606
+[O-][N+](=O)[CH-]C,0.5497385263442993
+ClCCN(c1cnc(nc1O)O)CCCl,0.8887783288955688
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.1106192097067833
+BrC(C1=C(Cl)C(=O)OC1)Br,0.9865609407424927
+Oc1ccc2c(c1)nc(n2C)N,0.5843368768692017
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.2481623888015747
+OC(=O)C(CC(=O)c1ccccc1N)N,0.3721764385700226
+CCCC[C@H](CN)CC,0.02714579366147518
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.4018494188785553
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9568646550178528
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.660655677318573
+CC(=O)OC[C@@H](CO)O,0.6941595077514648
+ClC/C=C\Cl,0.910802960395813
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7310085296630859
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.8274068832397461
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6303412318229675
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.051117442548274994
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.0986206904053688
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.13633418083190918
+c1scc(n1)c1nc2c([nH]1)cccc2,0.30183640122413635
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.44570213556289673
+OCc1ccc(cc1)C(F)(F)F,0.11722054332494736
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.22366651892662048
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.023662768304347992
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9733079671859741
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.7852789759635925
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.046284858137369156
+NC1c2ccccc2-c2c1cccc2,0.7670642733573914
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.14075621962547302
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.12248893827199936
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.7599854469299316
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6573938131332397
+CN(c1ccc(cc1)N(C)C)C,0.28119975328445435
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.2693328261375427
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9619296789169312
+O=NN(C(=N)N[N+](=O)[O-])C,0.7977756261825562
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.760597288608551
+Clc1cccc(n1)Cl,0.13810284435749054
+CC(O)C,0.08108408749103546
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.23250393569469452
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.09686911851167679
+Nc1cccc(c1)[N+](=O)[O-],0.8420596122741699
+Fc1cccc2c1ccc1c2cccn1,0.866197943687439
+CC(OC(=O)C(=C)C)C,0.47579440474510193
+N1CCN(CC1)c1ccccc1,0.782214879989624
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.03501860424876213
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.9486486315727234
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9544849395751953
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.21096448600292206
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9454178810119629
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5375685095787048
+OCC(C(C(C1SCCN1N=O)O)O)O,0.8947771191596985
+CNc1ccc2c(c1C)ncc(n2)C,0.7563862800598145
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.4250643253326416
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7636746168136597
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5473557710647583
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.3993958532810211
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6704239845275879
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.4905060827732086
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.7372046709060669
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.8413089513778687
+COC(=O)C,0.37263965606689453
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9132289886474609
+ON1CN(Cl)CN(C1)Cl,0.4635889530181885
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9632426500320435
+OC(=O)/C=C/c1ccc(cc1)N,0.44436588883399963
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.41714978218078613
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.7260839343070984
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.05112132430076599
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.9405409097671509
+OCC(CO)(CO)CO,0.20979401469230652
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.9264369010925293
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9519246220588684
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.0642027035355568
+O=NN(COC(=O)C)C,0.9862281680107117
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9270745515823364
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9474827647209167
+O=NN1CCN(CC1)N=O,0.9953333139419556
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.0804690346121788
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.6635611653327942
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.9419983625411987
+NCC(=O)O,0.44200626015663147
+Nc1ccc(cc1)O,0.5973461270332336
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.16127929091453552
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9855644106864929
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.5784021615982056
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9242144823074341
+CC(=O)Nc1cccc(c1C(=O)O)N,0.6356536746025085
+OCCC(C)C,0.03809085115790367
+c1ccc(cc1)N=Nc1ccccc1,0.8431965112686157
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.43934687972068787
+CC(=O)Nc1cccc(c1)N,0.639617919921875
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.05736006423830986
+CCCN(CCCC(=O)O)N=O,0.9972261190414429
+CC(c1ccc(nc1)C(F)(F)F)O,0.07745017111301422
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.059593986719846725
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.3146980106830597
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7584484815597534
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.8110116124153137
+COc1nc2c(CBr)cccc2nc1OC,0.4130764901638031
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.7141746282577515
+ClCC1=CC(=O)OC1,0.9891357421875
+CC(O[P@@](=O)(F)C)C,0.12141909450292587
+C=CC(=O)OC[C@H]1CO1,0.9711797833442688
+CCCCCCCCCCCCOC[C@@H]1OC1,0.9335212707519531
+BrN1C(=O)CCC1=O,0.8876239657402039
+OCCCCO,0.050577182322740555
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.41288620233535767
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.1509738713502884
+O=C1c2ccccc2CCc2c1cccc2,0.13475358486175537
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.18214087188243866
+O=NN1CCC[C@@H](C1)O,0.9861790537834167
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.35650286078453064
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.5839311480522156
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.7480630278587341
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.036754824221134186
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9714980125427246
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.8644094467163086
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.43815580010414124
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.07548308372497559
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.12592151761054993
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9504050016403198
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.08565591275691986
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.2393377125263214
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.932111918926239
+OCC(Cl)Cl,0.9259559512138367
+NC(=O)O[C@H]1CO1,0.9970466494560242
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.1478119194507599
+NC(=N)c1ccccc1,0.1061781644821167
+Sc1[nH]cnc2-c1ncn2,0.37260347604751587
+Cc1ccc(cc1)N(C)C,0.7098922729492188
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.8122380971908569
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9261177182197571
+Nc1ncnc2c1ncn2C,0.7652310132980347
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.03169528767466545
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.872698187828064
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.7400221228599548
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.7066018581390381
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.9276419878005981
+C(C1OC1)Cc1ccccc1,0.9853512048721313
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.802230179309845
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.12738558650016785
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9783731698989868
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.8153335452079773
+CCCN(N=O)CCC,0.9615492820739746
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9251219630241394
+COc1c(N)cc(c(c1C)N)C,0.7209731340408325
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.03565666452050209
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9469982385635376
+COc1cc(ccc1OC)C[C@H]1CO1,0.9216439127922058
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.13248685002326965
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.8928852081298828
+OC(=O)CCCOc1ccc(cc1C)Cl,0.045327767729759216
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9787785410881042
+C=CC1CC2CC1C=C2,0.033731989562511444
+[O-][N+](=O)[C@@H](CO)C,0.8703715205192566
+CSCNc1ccccc1C(=O)C,0.4590522348880768
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.8779765963554382
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.03389062359929085
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.3584676682949066
+Clc1ccc2c(c1)oc1c2cccc1,0.6056697368621826
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.9215009808540344
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.22363169491291046
+CN(C(=O)NC)N=O,0.9783879518508911
+Cc1ccccc1c1ccccc1,0.2566947042942047
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.1594894826412201
+COC=C,0.270480751991272
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.7637985944747925
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8979088664054871
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9743316769599915
+CC(C(C)C)C,0.041480809450149536
+Cc1ccc(cc1)CC[C@@H]1OC1,0.9759241938591003
+Nc1ccc(cc1)c1ccccc1,0.916887104511261
+C[n+]1cccc(c1)C(=O)O,0.10166041553020477
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.6264767050743103
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.8043638467788696
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.6100495457649231
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9856818914413452
+BrC(C1=C(Br)C(=O)OC1)Br,0.9876136779785156
+c1scc(n1)c1nc2c([nH]1)cccc2,0.30183640122413635
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.8555206060409546
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.7524605393409729
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.19651854038238525
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.104026198387146
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.9784323573112488
+Nc1ccc(c(c1)C)C,0.7592519521713257
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.10564525425434113
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.5272647142410278
+ClCCP(=O)(O)O,0.8141374588012695
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.15743520855903625
+CCN(c1ccc(c(c1)O)N=O)CC,0.7927934527397156
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.10062700510025024
+ClCCC(CBr)Br,0.7523196339607239
+CN([N+](=O)[O-])C,0.6139805912971497
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.7880838513374329
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.4343298077583313
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.6439676284790039
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.8244961500167847
+C=CCN=C=S,0.4816650450229645
+Fc1ccc(c2c1ccc1c2nccc1)F,0.83051598072052
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.7701486349105835
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.1791553497314453
+OCCc1cn(c2c1cccc2)N=O,0.9720843434333801
+CCOCOCC,0.18470676243305206
+CC(C[C@H](N)C)C,0.03886164352297783
+CC(=O)N(C)C,0.5203599333763123
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.2822435796260834
+COc1ccc(cc1)CN(N=O)C,0.9391565322875977
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.9552822113037109
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.06133871525526047
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.8516565561294556
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7894493937492371
+ClC/C=C/CCl,0.8639494776725769
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.1394333839416504
+ClCc1ccncc1,0.6438325643539429
+CNC(=O)c1ccccc1,0.2155875265598297
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.9678891897201538
+CCCCCCCCCCCl,0.05316141992807388
+Cn1sc(cc1=O)Cl,0.4774041771888733
+BrC1=C(Br)C(=O)OC1,0.9508622884750366
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.4790043830871582
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.3666153848171234
+CCOC(=O)N(N=O)CC,0.9156100153923035
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.3493884205818176
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.10528230667114258
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.14221063256263733
+COC(=O)c1ccccc1N,0.568160355091095
+ClC[C@](CBr)(Br)C,0.4478074908256531
+COc1ccccc1CC1CO1,0.9921796917915344
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.695502519607544
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.041680071502923965
+CN1CCC[C@@H]1c1cccnc1,0.026300448924303055
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.3226027190685272
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.56260746717453
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.6328312754631042
+ClC[C@H](Cl)C,0.42156273126602173
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.8283020853996277
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.7561460137367249
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9847771525382996
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.6379019618034363
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.6746582984924316
+Oc1ccc2c(c1)cc[nH]2,0.16883571445941925
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9892697334289551
+CNC(=O)N(C(=O)NC)O,0.4530947804450989
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9444940686225891
+OCc1ccc(cc1[N+](=O)[O-])N,0.6660657525062561
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.39114513993263245
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.15699830651283264
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7516994476318359
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.3289071321487427
+CCCc1ccc2c(c1)OCO2,0.3164384067058563
+Nc1cccc(c1)C(F)(F)F,0.18104340136051178
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.028469398617744446
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.8233707547187805
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.9875167012214661
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7870701551437378
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.04000639170408249
+BrC(C1=C(Br)C(=O)OC1O)Br,0.9652541875839233
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.029006678611040115
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9203629493713379
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.3443300426006317
+NCCCNCCCN,0.20017611980438232
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.7258872985839844
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6459535360336304
+CCOC(=O)CNC(=O)C(Br)C,0.9500775337219238
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.9320394396781921
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.06472096592187881
+OC(=O)c1cccc2c1snn2,0.29158487915992737
+ONc1ccc2c(c1)cccc2,0.9567338824272156
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.7335309386253357
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5309984683990479
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9758613705635071
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.027541687712073326
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.9319401979446411
+COc1nsc2c1cc(OCC1CO1)cc2,0.97874915599823
+Cc1ccccc1c1nc2c(o1)cccc2,0.5644809007644653
+Oc1ncc(c(n1)O)F,0.07291289418935776
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.032675355672836304
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.5826138257980347
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.5844308733940125
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.046221159398555756
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7998071908950806
+C1CCC2C(C1)CC1(CC2)CO1,0.08417654037475586
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.09726609289646149
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.2490392029285431
+C[n+]1ccc(cc1)c1ccccc1,0.16474580764770508
+NC(=O)Nc1cccc2c1nccc2,0.7902581095695496
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.7162052989006042
+CCC1OC1c1ccccc1,0.8656290769577026
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.9288053512573242
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.4342089295387268
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.6864100694656372
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.3966061472892761
+Sc1ncnc2c1[nH]cn2,0.6071628928184509
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.5730205178260803
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6852620244026184
+O=CN(c1ccc2c(c1)cccc2)O,0.8741254806518555
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7730396389961243
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.8788822293281555
+C1CCCO1,0.18662182986736298
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.3994660973548889
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.28973937034606934
+FC(C(C(Cl)(F)F)(F)F)Cl,0.10173599421977997
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.9058915972709656
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8413680791854858
+CCCCCN(CCCCC)CCCCC,0.027174372225999832
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9518715739250183
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.038871217519044876
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.11102763563394547
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.5750909447669983
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9466832876205444
+OCc1ccc(cc1)[N+](=O)[O-],0.6983758211135864
+COCCOCCO,0.8222637176513672
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.05897878482937813
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8000909686088562
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8604729771614075
+CN1CN(C)CSC1=S,0.3909529149532318
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.06947525590658188
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.6250402331352234
+CCP(=O)(OCC)OCC,0.17162206768989563
+OC/C=C/Cl,0.9226937294006348
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.07225955277681351
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.26169660687446594
+O=NN(C(=O)C)C,0.8706724047660828
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.22366218268871307
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.9367266893386841
+N#C/C=C\C#N,0.1729520708322525
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9648131132125854
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.5238285064697266
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.25259900093078613
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.947607696056366
+C/C=C/C=O,0.4991396367549896
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.023928871378302574
+CCCSSCC=C,0.07568880915641785
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.0684407502412796
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.03083251789212227
+Brc1ccc(cc1)c1ccccc1,0.1151309460401535
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.8369978070259094
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5861729383468628
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.7201846241950989
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9138910174369812
+S=C1NCCN1,0.6793951392173767
+CCC(=O)O,0.04687874764204025
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9550617933273315
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9313197135925293
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.1249626874923706
+Nc1ccc2c(c1)c1ccccc1n2C,0.9831140637397766
+OC(=O)CCC(=O)CC(=O)C,0.13377703726291656
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.7536437511444092
+O=C(c1ccccc1N)OC1CCCCC1,0.1382298320531845
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.44034329056739807
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.847131609916687
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5912922024726868
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.04505429416894913
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.34731942415237427
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.12825198471546173
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.4763208031654358
+CCc1ccco1,0.48941951990127563
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.46685585379600525
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.5913221836090088
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.7603315114974976
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.042397450655698776
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9112926721572876
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.7795571088790894
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.0822887197136879
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.41375821828842163
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.09932617098093033
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.7584589719772339
+NCCNCCNCCN,0.7759218215942383
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.891271710395813
+NCP(=O)(O)O,0.11627570539712906
+COC(=O)CC(=O)OC,0.19997543096542358
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.020859774202108383
+Nc1ccc(cc1)Nc1ccccc1,0.9237791299819946
+C/C=C\C=C/C=O,0.6921018362045288
+OC(=O)c1cccc(c1)C(F)(F)F,0.059504710137844086
+CC(C[C@H](O)C)C,0.05480882525444031
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.84917813539505
+COc1ccccc1N,0.6170669794082642
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9724606275558472
+OC(=O)CCN=N#N,0.982728123664856
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.778987467288971
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.9085047841072083
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.3631325364112854
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.2753691077232361
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.5565282106399536
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.248080775141716
+FC(n1c(C)n[nH]c1=O)F,0.47349852323532104
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.16024534404277802
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.981410026550293
+O=C=NC1CCCCC1,0.601672887802124
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9772685766220093
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9357364773750305
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9393622279167175
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.09712229669094086
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.8646003007888794
+C[C@@H](ON=O)CC,0.9718678593635559
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.6579310894012451
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.966749370098114
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.9180995225906372
+CC(CC(=O)C)C,0.07406364381313324
+CCCCCCCC(=O)O,0.01931922324001789
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9809902310371399
+COc1cc(ccc1N)[N+](=O)[O-],0.9364598989486694
+OCCN1CN(CCO)CN(C1)CCO,0.09437169134616852
+OC(=O)c1ccc(cc1)N,0.31431716680526733
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.4756869673728943
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.11636475473642349
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8807714581489563
+OC(=O)c1ccc(cc1)C,0.1411859542131424
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.044375594705343246
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.961138904094696
+ON(c1ccccc1)C(=O)C,0.7194935083389282
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8943651914596558
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.9735849499702454
+OCCCl,0.7513648867607117
+CNC(=O)CSP(=S)(OC)OC,0.1459677517414093
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.09361301362514496
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4709695875644684
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9795457720756531
+OCc1c2ccccc2cc2c1cccc2,0.5767884850502014
+[O-][n+]1cccc2c1C=CC1C2O1,0.7206979393959045
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.6389614939689636
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.8723329305648804
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.05801469832658768
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.7587221264839172
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.4330894351005554
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.9413744211196899
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.08196159452199936
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.0466308668255806
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.13400401175022125
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.17872606217861176
+CCCCCCCCCCCCCCCCCCN,0.03741376847028732
+Cc1ccccc1Br,0.07299438863992691
+COC=O,0.7253269553184509
+OCCCCN(CCO)N=O,0.991929829120636
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.4484085142612457
+CC(=C)C#N,0.14015677571296692
+BrCC(=O)Nc1ccc(cc1)C,0.5762802958488464
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9636073112487793
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.09396503865718842
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8865509033203125
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.02366122417151928
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.10747784376144409
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.26323673129081726
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9251219630241394
+CCCCON=O,0.9633535146713257
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.930685818195343
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8458927869796753
+CC1CCC2CC1C2(C)C,0.028167668730020523
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.8809961080551147
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.44953998923301697
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.11194539070129395
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5219588875770569
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7682628631591797
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.06906191259622574
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.400275856256485
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.503981351852417
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.7397111654281616
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.7029074430465698
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.7562729120254517
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.037957482039928436
+CCC(c1ccc(cc1)O)(C)C,0.02719242312014103
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.9297888875007629
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.6792863607406616
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9475261569023132
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.02886373922228813
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7254070043563843
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.06843046844005585
+ClCCCBr,0.8642980456352234
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.3649049997329712
+ONc1nc(N)nc2c1nc[nH]2,0.43142861127853394
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.07422221451997757
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.682261049747467
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.5940438508987427
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.18969370424747467
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.03616376221179962
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9544543027877808
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.9239121675491333
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.8347455859184265
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.668426513671875
+OC(=O)c1ccccc1S(=O)(=O)N,0.06750781834125519
+Cc1c(C)cccc1N,0.7475749254226685
+CCOC(=O)CC(=O)C,0.20887383818626404
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.90650874376297
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.165653795003891
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.6887215375900269
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9807760119438171
+Clc1ccc2c(c1)nsc2N,0.6078479290008545
+CCCCB(CCCC)CCCC,0.016956033185124397
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.20446141064167023
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.9283041954040527
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.15085171163082123
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7497235536575317
+COC(=O)C(CSCCCl)N,0.962396502494812
+CNCC(=O)O,0.19258370995521545
+Sc1ccccc1,0.0518169030547142
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.03785036504268646
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9412605166435242
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9411411285400391
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.8820673227310181
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.8118458986282349
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7864885926246643
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.44671621918678284
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.9366086721420288
+COCCl,0.9547715187072754
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.22573690116405487
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.04770957678556442
+COc1cc(/N=N/c2ccccc2)ccc1N,0.8698248863220215
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.8544360995292664
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.49226289987564087
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.6095082759857178
+O1C2C1c1cscc1-c1c2csc1,0.9222230911254883
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.016597440466284752
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.795636773109436
+SCCc1cnccn1,0.19802595674991608
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.06610153615474701
+C=COCC(F)(F)F,0.1728839874267578
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.7603378295898438
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7541987299919128
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9771467447280884
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.8884745836257935
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.7512696385383606
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9078301191329956
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.07050696760416031
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.46755266189575195
+OC(=O)CCC(=O)O.[Na+].[Na+],0.03839794546365738
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.6767571568489075
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.07718376815319061
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.29317736625671387
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.7966347932815552
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.7433277368545532
+OCCNc1ccc(c(c1)O)C,0.6134688854217529
+C[C@H]1CS1,0.369130939245224
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.8139459490776062
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6359929442405701
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.03605733439326286
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9462227821350098
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.02935539186000824
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.052564430981874466
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.05451487749814987
+CNCCCC(=O)O,0.122528575360775
+CCSCCOP(=S)(OC)OC,0.24564823508262634
+Cc1ccc(cc1)NN=NCc1ccccc1,0.842284083366394
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.531822681427002
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9372941851615906
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.06279106438159943
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9865338206291199
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9821249842643738
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.13287463784217834
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.8390083312988281
+O=C(c1ccccc1O)Oc1ccccc1,0.20612022280693054
+Nc1ccc2c(c1)s[nH]c2=O,0.13944610953330994
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.9120451807975769
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.8265584707260132
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.2126600444316864
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.817655086517334
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.10169284045696259
+O=NN1CCSCC1,0.9569813013076782
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.03391953557729721
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.10105490684509277
+Cc1cccc(c1)N,0.6044889688491821
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8895503878593445
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.13293427228927612
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.4790782034397125
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.9205034971237183
+OC(=O)Cc1ccc(cc1)N,0.15898734331130981
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.9463168978691101
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.5911269187927246
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.934403121471405
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.07145500928163528
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8284249305725098
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.8462550044059753
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.3293498158454895
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.06103333830833435
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.02322365902364254
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.27596524357795715
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.6886131167411804
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.9109839200973511
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.882302463054657
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.6894134283065796
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.829150378704071
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.07433519512414932
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.008633304387331009
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.6826491951942444
+c1ccc2c(c1)snc2,0.44596973061561584
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.5058107376098633
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.9002971649169922
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3164212703704834
+CN(c1ccncc1)C,0.40372928977012634
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.8522735834121704
+O=C1CSC(=S)N1,0.6670376062393188
+CCOC(=O)C(=O)C,0.28602975606918335
+OCc1ccc(cc1)Cl,0.21316151320934296
+Cc1cccc2-c3c(C(c12)C)cccc3,0.6272310018539429
+Sc1ncc(c(n1)O)C,0.07159470021724701
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.3265083432197571
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.7575498819351196
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8762243390083313
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.6190671920776367
+Nc1scc(n1)c1cccnc1,0.6208599209785461
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.02637927234172821
+Cc1nsc(c1)N.Cl,0.3937899172306061
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.06137803941965103
+OC(=O)CCCCC(=O)O,0.04442918673157692
+C[N+](Cc1ccccc1)(C)C.Cl,0.030405979603528976
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.5115029215812683
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.023288952186703682
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.29128044843673706
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5536513328552246
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.04054058715701103
+CC=C,0.09197119623422623
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9617646336555481
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8432035446166992
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.1384475976228714
+C[C@H](C(=O)NCc1ccccc1)Br,0.8603044748306274
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.018220435827970505
+NC(=O)CCCCC(=O)N,0.3678370714187622
+C[C@H](CN)O,0.07890413701534271
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.9983074069023132
+O[C@@H](c1ccccc1)C#N,0.2332502156496048
+O=C1CCCCC1=O,0.10304389894008636
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.6606384515762329
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.038531266152858734
+CCc1ccc(nc1)C(F)(F)F,0.08470545709133148
+CC(OS(=O)(=O)C)C,0.7642785310745239
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9570706486701965
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.1283465176820755
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.9504340291023254
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.7885302305221558
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.45375698804855347
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.24558475613594055
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9841675758361816
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9141238331794739
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.3536736071109772
+C=Cc1ccncc1,0.0963125228881836
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.20323893427848816
+OCC([N+](=O)[O-])(CO)Br,0.5353845357894897
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.47155967354774475
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.0878811925649643
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9641650915145874
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6995437145233154
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.980706512928009
+Cc1ccc(cc1)/N=N/N(C)C,0.9277932047843933
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.878741443157196
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.878100574016571
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9930872917175293
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.4044071137905121
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.27719658613204956
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.717414379119873
+C[n+]1cccc(c1)OC(=O)N(C)C,0.05798214673995972
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.12538547813892365
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.7369020581245422
+CC12OOC2(C)c2c(O1)cccc2,0.37080127000808716
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.79997318983078
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.0799650326371193
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.24983005225658417
+OC(=O)c1ccccc1,0.05839277431368828
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9561904072761536
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5270944833755493
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.9055859446525574
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.4189012944698334
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.6903041005134583
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9799359440803528
+CNC(=O)ON,0.6548755764961243
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.9709645509719849
+FC(C1=C(C=N[N]1)C(=O)O)F,0.0740865021944046
+OC(=O)c1ccc(cc1)C(=O)O,0.04689919203519821
+Cc1c2ccccc2cc2c1cccc2,0.8738709688186646
+ONc1cccc2c1cccc2,0.7985401749610901
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.9381533861160278
+C=CCc1ccc(cc1)O,0.16809651255607605
+CCOCC(=O)O,0.500474214553833
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.1475466787815094
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.13384582102298737
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.8341151475906372
+O1CC1Cc1ccccc1,0.6142383217811584
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.13486047089099884
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.32477623224258423
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.3613050580024719
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.058229267597198486
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.018422875553369522
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.09365756809711456
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.6197500824928284
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.23727600276470184
+CCCCCCNCCCCCC,0.05868769809603691
+O=NN(Cc1ccccc1)C,0.9323974847793579
+CCNCC,0.07791676372289658
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.7654099464416504
+Cc1ccc2c(c1)cccc2C,0.6060907244682312
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.22536328434944153
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.33068498969078064
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.3299868702888489
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.08645638823509216
+ClC(=O)c1ccccc1C(=O)Cl,0.7346348762512207
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.8928138017654419
+OCCC(CCC=C(C)C)C,0.07328463345766068
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9112516641616821
+Clc1ccc(c(c1)C(=O)O)Cl,0.08667466789484024
+N[C@H](C(=O)O)CSCc1ccccc1,0.07849561423063278
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.35856541991233826
+COCCOC(=O)C,0.7518634796142578
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.7014532089233398
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.0458122156560421
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.05559809133410454
+N#Cc1cccc(c1)[N+](=O)[O-],0.8730425834655762
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.268352210521698
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.8084686398506165
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.1106918677687645
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9538320302963257
+CN(C(=N)N(C)C)C,0.37566348910331726
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.24941301345825195
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.38998275995254517
+NC(=NC(=N)N)NCCc1ccccc1,0.674496591091156
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9744159579277039
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7452476620674133
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.029583867639303207
+CC(=O)NC(C(=O)O)CSCCCl,0.7054855227470398
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.7751861810684204
+COc1c2ccccc2nc2c1cco2,0.6970516443252563
+OCCCBr,0.9238368272781372
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.3436014652252197
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.07908669859170914
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.3521537184715271
+n1ccncc1,0.1606426239013672
+CC1(OC1)c1ccc(cc1)Cl,0.35615473985671997
+OC(=O)CP(=O)(O)C,0.03584778308868408
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7116764783859253
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.8231291770935059
+N#[N+]c1nc[nH]c1C(=O)N,0.48804718255996704
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.20201583206653595
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9906858205795288
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.5372127294540405
+NC(C(=O)O)COC(=O)C=N#N,0.9716455340385437
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.21719403564929962
+Clc1ccccn1,0.0826854258775711
+Nc1nc(N)nc(n1)Cl,0.14052823185920715
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.03312188759446144
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.8449777364730835
+Cc1cccc2c1-c1ccccc1C2C,0.6851944327354431
+ClCc1ccccc1,0.44509372115135193
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.3532125949859619
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.7180072665214539
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.08167089521884918
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9229928851127625
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.1293686330318451
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.731376051902771
+O=c1ccc2c(o1)cc1c(c2)cco1,0.7991231679916382
+OC(=O)c1cccc(c1N)O,0.2508215308189392
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.11283739656209946
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9521244764328003
+CC12CCC(C2(C)C)CC1(C)O,0.019246581941843033
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.763645350933075
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8626283407211304
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.12727895379066467
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.27341383695602417
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9924805760383606
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.4772242605686188
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7718109488487244
+Nc1cc2nc3ccccc3nc2cc1O,0.9270264506340027
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9710465669631958
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.16668467223644257
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9528349041938782
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.39169788360595703
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.04567260295152664
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.01220319326967001
+COC(=O)c1ccccc1NC,0.4403630793094635
+OC[C@H]1CCCO1,0.30357998609542847
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.17595216631889343
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.7316652536392212
+CC(=O)Nc1ccc(cc1)C(=O)O,0.10914269834756851
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6862742900848389
+O=NN1CCNCC1,0.9971771240234375
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.5852652192115784
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.8790130615234375
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7916927337646484
+CCOc1nc(NC(=O)N)nc(n1)NC,0.08597325533628464
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.034524865448474884
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.231608584523201
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.06538745015859604
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.16175587475299835
+C=CCC[C@H]1CO1,0.8872095942497253
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.07920189201831818
+S=c1scc(s1)c1ccccc1,0.3628644645214081
+Brc1cc(Br)c(c(c1)Br)O,0.05045510083436966
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.6944717168807983
+O=C(C(=O)c1ccccc1)c1ccccc1,0.2941024601459503
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.7771639227867126
+Cc1cc(=O)[nH]c(=S)[nH]1,0.25766292214393616
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.9199428558349609
+N#Cc1ccc2c(c1)nc([nH]2)N,0.8287829160690308
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.5766621828079224
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.17772653698921204
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.030324086546897888
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9861500859260559
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.04950379952788353
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8623214960098267
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.6362199187278748
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.7819148898124695
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.08801715075969696
+ClCCNc1ccc(cc1)CCCC(=O)O,0.2626911699771881
+O=NN1CSCC1,0.9909162521362305
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.8325544595718384
+c1ccc2c(c1)[nH]cc2,0.4780580401420593
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.025964846834540367
+C1CNCCO1,0.13412590324878693
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.13808590173721313
+O=C(c1ccccc1)/C=C/c1ccccc1,0.29801279306411743
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.7658569812774658
+N#CC1=Cc2c3c1cccc3ccc2,0.874107837677002
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.919655978679657
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7882010340690613
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.0916629210114479
+COP(=O)(OC)O,0.07345150411128998
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.8421362638473511
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.4102846086025238
+BrCCOC(=O)C=C,0.8316551446914673
+CC(COC(=O)c1ccccc1N)C,0.20016519725322723
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.988113284111023
+C#CCOCC[n+]1ccccc1/C=N/O,0.1319282352924347
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.21409979462623596
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9185964465141296
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.04901157692074776
+Oc1ccc(c(c1)C(C)(C)C)O,0.05673673003911972
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.824658989906311
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.07046560198068619
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8745428323745728
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.5128576755523682
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.04275735840201378
+O=NN1CCCCCCC1,0.7858458757400513
+O=C1c2ccccc2C(=O)C1(O)O,0.24519070982933044
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.4505689740180969
+Fc1ccc(c2c1nccc2)F,0.6702791452407837
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.46697354316711426
+CC/N=N/O.[K+],0.929421603679657
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9855808019638062
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.0807657390832901
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.0697033628821373
+Oc1cccc2c1cccc2,0.47151508927345276
+c1cccnc1,0.10193314403295517
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.7113269567489624
+Cc1ccc2c(c1)nc([nH]2)N,0.7000194191932678
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.6234145760536194
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.587147057056427
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.2447865903377533
+OC(=O)/C=C/C(=O)CC(=O)C,0.16815972328186035
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.7164115309715271
+OC1CC=Cc2c1nccc2,0.25220659375190735
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.6414276361465454
+CN(/N=N/c1ccc(cc1)Cl)C,0.9155030250549316
+O=C1CCCCCN1,0.1282852739095688
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.17895229160785675
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9900087118148804
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.10663046687841415
+CCNC(=O)CC[C@@H](C(=O)O)N,0.3257812261581421
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.01161615364253521
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9992927312850952
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.7916495203971863
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.16438135504722595
+N#Cc1cccc2c1nccc2,0.643805205821991
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.835126519203186
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.6831413507461548
+C(C1OC1)CC1OC1,0.7773741483688354
+OCC(=O)CO,0.18751327693462372
+N=C(NC(=N)N)NCCc1ccccc1,0.39178112149238586
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.07599203288555145
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.5658982992172241
+CNc1ccccc1,0.3808882236480713
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.7845945358276367
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.3852936625480652
+NC(=S)Nc1cccc2c1cccc2,0.8696335554122925
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.7444027662277222
+N#CCC[C@H](C#N)C,0.040260184556245804
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.6644594073295593
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.9600573778152466
+c1ccc(cc1)c1ccccc1c1ccccc1,0.3721696734428406
+N#Cc1ccc(cc1)C1(C)OC1,0.8898059725761414
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.8068605661392212
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.43718522787094116
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.22338028252124786
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.4425888955593109
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.8282926678657532
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.6842387914657593
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.04654305428266525
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9003791809082031
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.04760487750172615
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.05231555178761482
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4083794057369232
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6388728022575378
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6339343786239624
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.03174499422311783
+Nc1ccc2c(n1)c1ccccc1cc2,0.9742746353149414
+C/C(=C\C)/C#N,0.19174130260944366
+N#N=NCCC(c1ccccc1)c1ccccc1,0.714928150177002
+Nc1ccc2c(n1)cccc2,0.8672784566879272
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.910540759563446
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8799839019775391
+O=C(C1OC1)Nc1ccccc1,0.9725972414016724
+O=c1ccoc(c1O)C,0.18477238714694977
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.35758331418037415
+Nc1cccc2c1cccc2N,0.9410113096237183
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.7560524940490723
+COc1cc(C=O)ccc1O,0.19453775882720947
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.33809226751327515
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9696286916732788
+ONc1cc(C)cc(c1)C,0.6283509135246277
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8093376159667969
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.799654483795166
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.41903313994407654
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.8564594984054565
+Cc1cc(nc(n1)N)C1CC1,0.38808268308639526
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9155480265617371
+CC1CCCC2(C1(O)CCCC2)C,0.027051230892539024
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.7072388529777527
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9846204519271851
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.5406373739242554
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.17283716797828674
+NC1=N[C@@H](CS1)C(=O)O,0.08661361038684845
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.9423649907112122
+O=NN1CCOCC1,0.9765406847000122
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9090687036514282
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.550503134727478
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.24761244654655457
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.14799842238426208
+OCc1ccc(cc1)C#N,0.4317932724952698
+CSCCC(C(=O)O)N,0.16036203503608704
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.9847630262374878
+CC(=O)OC=C,0.27084967494010925
+Clc1cc2ccccc2c2c1cccc2,0.8125971555709839
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.49174970388412476
+Nc1ccc2c(-c3ccccc3C2)c1,0.9734233617782593
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.7599570155143738
+CCCCCCCCCCCC[C@H]1CO1,0.11653779447078705
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.8954870104789734
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.7840780019760132
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9869693517684937
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.27008649706840515
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.988723874092102
+OCCNC(=O)[C@H](O)C,0.7912898063659668
+COc1cc(C=O)ccc1OC,0.315467894077301
+C=CCN(CC=C)CC=C,0.09692893177270889
+O=NN(CCCC(c1cccnc1)O)C,0.6809213757514954
+CCCCC/C(=C/c1ccccc1)/C=O,0.21310320496559143
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.8943463563919067
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.11864744126796722
+NNc1nncc2c1cccn2,0.7951454520225525
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9469096064567566
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.9100973010063171
+CCOC(=O)N(CCOC(=O)C)N=O,0.9926336407661438
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7784469723701477
+Cc1c(C)cccc1C,0.029895324259996414
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.6839319467544556
+CCOC(=O)CC(C)C,0.20431402325630188
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.716647744178772
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.1530321091413498
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.4653630256652832
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.9616015553474426
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.9418669939041138
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.8365156054496765
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.10450567305088043
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.49123483896255493
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.24756646156311035
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9282093048095703
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.9410344362258911
+ClCCN(C(=O)NCC(=O)N)N=O,0.9989031553268433
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9278057217597961
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.17827261984348297
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.9397081136703491
+COCCOCCOC,0.22277267277240753
+Oc1ccc2c(c1)nccc2,0.5211243629455566
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.03767058998346329
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.3011678457260132
+CC(OC(=O)Cc1ccccc1)C,0.08728794008493423
+Fc1cnc2c(c1)c1ccccc1cc2,0.8909904360771179
+O=CCCN(C(=O)OCC)N=O,0.9943212270736694
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9852070808410645
+c1ccc2c(c1)c1ccccc1cc2,0.8916885256767273
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.09238669276237488
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9085767865180969
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6156754493713379
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.9227436184883118
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8688098192214966
+O[C@H]1C=CC=C[C@@H]1O,0.14612317085266113
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9211193323135376
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9677397608757019
+C=CC(=C)Cl,0.6633176207542419
+N=c1nc[nH][nH]1,0.17761468887329102
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.5296262502670288
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.8329617381095886
+COc1c2cc(OC)ccc2nc2c1cco2,0.6897751688957214
+FC(OC(C(F)(F)F)Cl)F,0.13262364268302917
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.6974424123764038
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9252077341079712
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.7048608660697937
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.8897718191146851
+ONc1cc2c([nH]1)cccc2,0.7014755010604858
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.5210099220275879
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9782100915908813
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.09802684932947159
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.6810940504074097
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.8947007060050964
+CCCC,0.18305885791778564
+N#Cc1ccc(cc1)[N+](=O)[O-],0.8292328715324402
+Cc1ccc(cc1)C(N)C,0.6645663976669312
+O=CN(C)C,0.46868768334388733
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.18171754479408264
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.16622990369796753
+BrC(=C)C(=O)O,0.109136201441288
+Clc1ccc(cc1)S(=O)C,0.1480335146188736
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.0124416034668684
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.7640572786331177
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.26716500520706177
+Cc1ccc(o1)C=O,0.40944379568099976
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.24763640761375427
+O=C/C=C/C=C/C=O,0.770255446434021
+Oc1nnc(c(n1)O)C,0.08279258757829666
+ClCc1c2ccccc2cc2c1cccc2,0.8725559115409851
+COc1cc(N)cc(c1N)OC,0.4307329058647156
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.025988375768065453
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.8027418255805969
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9841126203536987
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9772025346755981
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.12426342815160751
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.034317146986722946
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.7533551454544067
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.831887423992157
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.09888839721679688
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8820199966430664
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.2095136195421219
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.1254100352525711
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.769270658493042
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8752654194831848
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.2886788845062256
+CCSCCSP(=O)(OC)OC,0.685442328453064
+N#CC(=Cc1ccccc1Cl)C#N,0.277180552482605
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6721153855323792
+O=C1OC(=O)c2c1cccc2,0.2268175631761551
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.871055006980896
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.2364661693572998
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.05086110904812813
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.06916387379169464
+OOC(C)(C)C,0.613053023815155
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.7957626581192017
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.062283676117658615
+O=Nc1nccn1C,0.6237941980361938
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.944473147392273
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.07830560952425003
+OS(=O)(=O)c1cccc2c1nccc2,0.0761091485619545
+OC(=O)Cc1ccccc1Cl,0.059472519904375076
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.6839113235473633
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.23115214705467224
+Nc1ccc(cc1)Oc1ccccc1,0.8241605758666992
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.15497036278247833
+N#CC(C(C#N)(C)C)(C)C,0.05169517919421196
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.045020949095487595
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.14225445687770844
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.9454700350761414
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9852972030639648
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.09278439730405807
+Cn1c(N)nc2c1cc1ccncc1n2,0.9114810824394226
+CCCCCN(N=O)CCCCC,0.703602135181427
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.07057765126228333
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.03329877182841301
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.14873187243938446
+Nc1[nH]cnc2-c1ncn2,0.27666300535202026
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.10517355054616928
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7822251319885254
+OCCNCCO,0.5881702303886414
+NC(=O)c1ccccc1O,0.19141602516174316
+OCC(=O)O,0.13184018433094025
+c1ccc2c(c1)c(ccc2)CC1CO1,0.9768147468566895
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.8728238940238953
+OC1OC(=O)C(=C1C)Cl,0.7534931898117065
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9176536798477173
+CC1OC(C)CN(C1)N=O,0.9606022834777832
+COP(=O)(SC)OC,0.6272127032279968
+COc1cc(OC)c(cc1C1OC1C)OC,0.4603614807128906
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.2256302535533905
+CC(COS(=O)(=O)c1ccccc1)C,0.4881472587585449
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.16453643143177032
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9759681820869446
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.026023849844932556
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.9446226358413696
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.8838610649108887
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.2686026394367218
+CCCCC/C=C/C=C/C=O,0.4896846413612366
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.24897105991840363
+COc1cc(=O)[nH]c(=O)[nH]1,0.294752299785614
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.810629665851593
+OC(=O)COc1ccc(cc1C)Cl,0.05639605596661568
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9760380983352661
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.07245782762765884
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.06743130087852478
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.059413470327854156
+NCC(=O)Nc1ccccc1.Cl,0.6772290468215942
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9589139223098755
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.1872343271970749
+CCCCCCCCCCCCOS(=O)(=O)O,0.06763049215078354
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.07317660748958588
+OOC(N=NC)(C)C,0.9752365350723267
+CCCCC/C(=C\c1ccccc1)/C=O,0.21310320496559143
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.03543855622410774
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.0612756721675396
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.27897390723228455
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5717140436172485
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.20551888644695282
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.10639901459217072
+Nc1cccc2c1snc2Cl,0.5499809384346008
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.8569023013114929
+Nc1ccc(cc1)Sc1ccccc1,0.8691067695617676
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.8837374448776245
+Oc1ccc(c(c1)O)C(=O)O,0.06363578140735626
+Nc1cccc2c1c1ccccc1cc2,0.9541193246841431
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.8759247660636902
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.498094379901886
+CC(CC(=O)CC(C)C)C,0.05013968423008919
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.9417864680290222
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.24553866684436798
+CO[P@](=O)(NC(=O)C)SC,0.38844290375709534
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8092424273490906
+ClCC(CCl)Br,0.9544687271118164
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.6040819883346558
+Nc1sc2c(n1)c(C)ccc2,0.97503262758255
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.9473518133163452
+Clc1cc(O)c(c(c1)Cl)Cl,0.08522002398967743
+OC(=O)[C@H](O)C.[Na+],0.16771331429481506
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.938825786113739
+COc1cccc(c1C(=O)N)OC,0.33184948563575745
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.24441158771514893
+FC(Oc1ccc(cc1)N)(F)F,0.2229529172182083
+C[n+]1c2ccccc2cc2c1cccc2N,0.9801774024963379
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.8553200960159302
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.03908054158091545
+OC1=C(O)C(=O)C1=O,0.21528205275535583
+ClCCOC(=O)Cl,0.7885807752609253
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.15182003378868103
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7586442828178406
+CC(=O)NNC(=O)c1ccccn1,0.24903802573680878
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9356784820556641
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.07687224447727203
+CCC(=O)O.[Na+],0.05149214714765549
+C=CCc1ccc(c(c1)OC)OC,0.35718849301338196
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.2755824029445648
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.924860954284668
+N#Cc1ccccc1,0.17464947700500488
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.03794235736131668
+BrCc1ccc(cc1)CBr,0.1739124357700348
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.053689926862716675
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.11888150125741959
+COCC=O,0.5349817276000977
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9296661615371704
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.873846709728241
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.5531372427940369
+[O-][N+](=O)c1nccn1C,0.815222442150116
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.0900559052824974
+CC(Nc1ccccc1)C,0.06164161488413811
+[O-][N+](=O)c1cccc2c1cccc2C,0.9422056078910828
+O=C1NOCC1(C)C,0.44068780541419983
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.8606255650520325
+C=CC(=O)OC(C)(C)C,0.3871578574180603
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9864869117736816
+Fc1ccc2c(c1)sc(n2)C(O)C,0.7108445167541504
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8397592306137085
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8783985376358032
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.18052658438682556
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.31490397453308105
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8958908319473267
+O=C1NCC[n+]2c1cccc2,0.24191546440124512
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.708103597164154
+O=NN(C(=O)N)C,0.4976436197757721
+CCN=NC(OO)(C)C,0.9955036044120789
+ONc1ncnc2c1nc[nH]2,0.4643872380256653
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.16676102578639984
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8083006143569946
+CNC(=O)O/N=C\C(SC)(C)C,0.26551052927970886
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.756718099117279
+CCC(=O)Nc1snc2c1cccc2,0.3909984827041626
+COc1nncc2c1nccc2,0.46121540665626526
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9584711790084839
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9488316774368286
+ClC(c1ccccc1)Cl,0.5304783582687378
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8281800150871277
+CCCC[C@H](COS(=O)(=O)O)CC,0.18051840364933014
+CC(C1CCC2(CC1)OC2)(C)C,0.08012797683477402
+Nc1ccc2c(n1)n1ccccc1n2,0.8998692631721497
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.2632843852043152
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9633992910385132
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.2802974581718445
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.8648792505264282
+OC(=O)C(Cl)(Cl)Cl,0.7286919951438904
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9931374788284302
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.6273005604743958
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.803836464881897
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8928292989730835
+[O-][N+](=O)c1cccc(c1N)O,0.6760910153388977
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.5795005559921265
+ClC1OC1CBr,0.9981178045272827
+CN(C(=S)SSC(=S)N(C)C)C,0.4711788296699524
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8890973925590515
+[O-][N+](=O)c1cccc2c1csn2,0.8097608685493469
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.8985007405281067
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.799144446849823
+NCC[C@H](N)C,0.04250640794634819
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9609119296073914
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.738958477973938
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.3877710700035095
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.6597651839256287
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.8558438420295715
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.6413947343826294
+CSCNc1ccccc1,0.6484115719795227
+Fc1ccnc2c1cccc2,0.6292797327041626
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.2217911183834076
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.2624688744544983
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.29641881585121155
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.35834285616874695
+COc1nc(C)nc(n1)N,0.14623716473579407
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.43317708373069763
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.9386650919914246
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.9542633295059204
+Fc1cccc2c1ccc1c2nccc1,0.837788462638855
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.587151825428009
+CCCCCN,0.04892620071768761
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.09036672860383987
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9248077273368835
+CC(CC(=O)Nc1ccc(cc1)O)O,0.10102301836013794
+NCC=C,0.3556611239910126
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.027415037155151367
+Oc1cc2nnsc2c(c1)C(=O)O,0.13460037112236023
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8943463563919067
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.9589041471481323
+O=C/C(=C(/C(=O)O)\Br)/Br,0.31058257818222046
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6523069143295288
+CCCN(CCCCO)N=O,0.9988322257995605
+N#CCc1ccccc1,0.1369398534297943
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.2701655924320221
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.0524660125374794
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.8271827697753906
+On1nnc2c1cccc2,0.659885823726654
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.9540551900863647
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.0795503482222557
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.4147595465183258
+C/N=N/O,0.6922245025634766
+C/C=C/C=C/C(=O)O.[K+],0.11160961538553238
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.09072339534759521
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.03216184303164482
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9606022834777832
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.9233406782150269
+O/N=C/1\C=C/C(=N/O)/C=C1,0.5022286176681519
+OS(=O)(=O)c1ccccc1,0.1601565182209015
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.11091883480548859
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.6513265371322632
+COC12OOC2(C)Oc2c1cccc2,0.45172232389450073
+Cc1ccc(cc1)[N+]#N,0.8954870104789734
+Oc1ccc(c2c1cccc2)O,0.400961309671402
+OC(=O)c1ccccc1C,0.06224667280912399
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.16009488701820374
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.1493360549211502
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.23758478462696075
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.2333630621433258
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9502776265144348
+c1cnc2c(c1)C1OC1C=C2,0.6512150764465332
+C[C@@H]1CNC[C@H](O1)C,0.03564499318599701
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9189513325691223
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7523786425590515
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.6689245104789734
+C1CCCCCC2C(CCCC1)O2,0.17034563422203064
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.29070931673049927
+CC(CON=O)C,0.9723302721977234
+CNc1ccc(cc1)[N+](=O)[O-],0.8306303024291992
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9325006604194641
+ClCCCl,0.4403107762336731
+NC(=O)c1ccccc1,0.12783698737621307
+CC[n+]1c2ccccc2nc2c1cccc2,0.6087462902069092
+N1C2C1c1cscc1-c1c2csc1,0.9975972175598145
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8931068181991577
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.9023420214653015
+OCc1ccnc2c1cccc2,0.43082642555236816
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.795842170715332
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.7152870297431946
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.023615378886461258
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.025833159685134888
+Nc1c2CCCCc2nc2c1cccc2,0.7525063157081604
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.9342094659805298
+Nc1ccc(cc1)Cl,0.6012917757034302
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9188054203987122
+c1ccc2c(n1)C1OC1C1C2O1,0.4627982974052429
+NCCNC(=O)c1ccc(cn1)Cl,0.24168989062309265
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.11081375926733017
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.5403486490249634
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.21186301112174988
+C[N+]1(C)CCOCC1,0.1092398390173912
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8594551086425781
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.12435398995876312
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.37551742792129517
+Nc1ccc2c(c1)oc(=O)cc2C,0.5978114604949951
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.1856268048286438
+Nc1nc2c(n1C)ccc1c2cncc1,0.9817309379577637
+O=C1CC[C@H](N1C)c1cccnc1,0.04861829802393913
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.35651564598083496
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.21031522750854492
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.7971183657646179
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.1014869436621666
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9823561906814575
+COc1ccc(cc1)CNC(=O)C(Br)C,0.8025299310684204
+Clc1nnc(c2c1cccc2)Cl,0.2642432749271393
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.40835151076316833
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.9094732403755188
+c1ccc2c(c1)cnc1c2cccc1,0.8517965078353882
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.03970862925052643
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.11030562967061996
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.04228788614273071
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.31076860427856445
+[O-][N+](=O)[CH-]CCC,0.5004008412361145
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.021126899868249893
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.11060626804828644
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8664792776107788
+[O-][N+](=O)c1cncn1C,0.7178057432174683
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9772094488143921
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.8785360455513
+O1CCOCCOCCOCCOCCOCC1,0.11979378759860992
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.8335381746292114
+ClCc1ccccc1[N+](=O)[O-],0.7424587607383728
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.70400470495224
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.8593109250068665
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.14551906287670135
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.21783261001110077
+CCOC(=O)CC(O)C,0.16044951975345612
+CC[C@H]1CO1,0.9024667739868164
+Nc1ncn[nH]1,0.09624918550252914
+CC(=O)Nc1ccc2c(c1)nccc2,0.6145632863044739
+OC/C(=C(/CO)\Br)/Br,0.5231263041496277
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.11301082372665405
+C[C@@H]1O[C@@H]1C,0.25822973251342773
+c1ccc(cc1)Nc1cccc2c1cccc2,0.7142406702041626
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2761412262916565
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.35226839780807495
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.06029069423675537
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.22525767982006073
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.36364880204200745
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.5735952258110046
+NC(=O)c1cnccn1,0.3361191153526306
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.6853078603744507
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.08297927677631378
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.15528835356235504
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9726245999336243
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.12047924101352692
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.05241990089416504
+CC12OOC1Oc1c2cccc1,0.3225051164627075
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.9600154161453247
+CCN=C=S,0.44216638803482056
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.16548974812030792
+ClCC(=O)OC(C)C,0.7419956922531128
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5810567140579224
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9926384091377258
+CCOP(=O)(SC(CC)C)SC(CC)C,0.318643718957901
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.075204037129879
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8752654194831848
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.5967395901679993
+CN(N=Nc1ccc(cc1)Br)C,0.8422710299491882
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.0637735053896904
+COc1ccc(cc1)OC,0.14020030200481415
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.46876534819602966
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.07615505158901215
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.33555924892425537
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.7590631246566772
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9735356569290161
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.7136716842651367
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7709909677505493
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.07478219270706177
+OCNC(=O)C=C,0.16324709355831146
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.9371017217636108
+[O-][N+](=O)c1cccc(c1C)N,0.6839280128479004
diff --git a/crossvalidations/cdk/tensorflow/pred.rf.v4.csv b/crossvalidations/cdk/tensorflow/pred.rf.v4.csv
new file mode 100644
index 0000000..0629ac3
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/pred.rf.v4.csv
@@ -0,0 +1,8084 @@
+name,pred
+C1CC=C2C(C1)CCc1c2cccc1,0.5205396660217804
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.5515172367986221
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.896739627744289
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.8708507321921114
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.13884184418201514
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.33759026899087946
+CC(=C)C(Cl)C,0.47202219647612087
+Oc1ccc2c(c1)oc(=O)cc2C,0.24370285710649234
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.5632154560340495
+C1COCCS1,0.43759736393647786
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9266904859338899
+C/N=N/O.[K+],0.8146692218469632
+COC(=O)c1ccccc1C(=O)OC,0.25263629624995504
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.6951669288134653
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.5618213175717666
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7135399269619342
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.6558918909448092
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.09125126013494333
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.3124465374548768
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.5882199463464562
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.5121402991018851
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.2909108480809923
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.272433496177159
+NNC(=O)N,0.3966855456253411
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.7942059841445714
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.12830495931960642
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.49014479592454846
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.41908605283505873
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8031447346018099
+CN(C#N)N=O,0.7167343630216125
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.16689746654325177
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.8245234715518671
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8880122134402312
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.1716918562567204
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9185574979427409
+O=C1C=CC(=O)c2c1c(O)ccc2,0.49043069963825753
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.6734866557892663
+Oc1cc2ccccc2c2c1cccc2,0.8019292251682342
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.6732232968063674
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.12564401150768076
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.1960517857925814
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.3794595259706818
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.1778261391879199
+Cc1ccc2c(c1)nn[nH]2,0.574381105554865
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.19171017012924807
+ClC(=O)c1ccc(cc1)C,0.2625648625277604
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9167578845044015
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.2591276326909588
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.22754989978457887
+O=Nc1cc2OCOc2cc1O,0.46796319456073016
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.49740238862110375
+NCc1cccc(c1)CN,0.5185320381482378
+CC(COC(=O)C(=C)C)C,0.19777681021412225
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.3760540150937964
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.31603039354890866
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.21666107734382728
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9000769486036656
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.23026084831417729
+OC[C@@H](CCl)Cl,0.7421108137272628
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.5223256316828917
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.6792302692656961
+SC(=N/C=C/N=C(S)S)S,0.45821719420654805
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.11485814979226458
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.3815402751016047
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.11967778356014239
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.4139285606103719
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.8930201805038723
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.12619908064302232
+CCCCOC(=O)CCC,0.1507647059620383
+OC1=C(C)CCC1=O,0.39032866347423717
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9271020435173057
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.8910936206424509
+BrC(=C)C(=O)C,0.4623398216849686
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8265746647427509
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.7191609576073423
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.16502709297284332
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.5861015366259145
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7138242896327127
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8274415822297667
+OC(=O)C(Cc1ccc(cc1)O)N,0.29173436293919247
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.5871195587904322
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.5924116906002985
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.2834871371632702
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.7226512631953331
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.3799709208075115
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.5876541413593995
+C1CCC[C@H]2[C@@H](CC1)O2,0.21741197858897038
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9162544478291258
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.6945533856848974
+CC(=O)Nc1ccnc2c1cccc2,0.41406681048164296
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.287646859924703
+CNC(=O)ON.Cl,0.6476898259170668
+CCCCOCCOCCSC#N,0.34832406305071284
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.907271968314131
+OC(=O)C(CCl)Cl,0.4334057584962189
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8364537860182437
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.6574546903594541
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.4008740983136674
+OC(=O)/C=C/c1ccc(cc1)Cl,0.21012675863625427
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.14805046550248666
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.8103140786034174
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.3592593251365417
+C=CCOC(=O)C=C,0.2534115256463462
+O/N=C(/c1ccc(c(c1)O)O)\N,0.6463028996219937
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9240969035299611
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8980061815166489
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7728695702009899
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.2257969073167752
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.6785717652015143
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.8351122054119914
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.4107650215194826
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9111426502651979
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.22670666564262817
+CCO,0.3187806978086634
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.36116392230054956
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.1824561542924042
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.914874976494014
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.20288959001299312
+CCCCCCCCO,0.10798815310961339
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9072052104801521
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.897322206168217
+OCC(CO)O,0.3250572108291807
+NC(=O)NCC=C,0.28291498484902594
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.8983311650710654
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.19825690595063508
+O=NN1CCCC[C@H]1C,0.8137142253445195
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9056806072967692
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.22984102845948157
+n1ccc(cc1)c1ccncc1,0.4404489121417521
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.8403822753887046
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.45141325198670557
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.1505076930681471
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.24536341387994237
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.44291732129037636
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.7144391924007484
+Cc1c2ccccc2c(c2c1cccc2)C,0.8472094538219576
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7345677658238317
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.09074753755825066
+C[N+]1=CC=C(CC1)c1ccccc1,0.4725404734907663
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6760899971317434
+Cn1c(N)nc2c1cccc2,0.6034177246253459
+COc1ccc2c(c1)nc([nH]2)N,0.6924692682507904
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.7683469194917774
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.6555388927264097
+Nc1cccc(c1C)N.Cl.Cl,0.5610317207659338
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8231028580831694
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.8716155680844678
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.3863643061543077
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.7270329366467361
+C[C@H](CNC[C@H](O)C)O,0.16470157485978823
+O=Cc1ccc(c(c1)Cl)Cl,0.3131708987592497
+ONc1ccc(c(c1)C)C,0.6824076793587535
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.4333882257329439
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8951745508651804
+CCCCN(COC(=O)C)N=O,0.8576714516859311
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.42142486437943016
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.892936635750664
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8754717446717768
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6482690406640241
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.19772838941545548
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.6547310405083973
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.4953400615950078
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.6482639236056226
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8245999550349944
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9127206044732528
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.21110064721899716
+OC(C(F)(F)F)C(F)(F)F,0.22740006520423756
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9257267101343954
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6647031658845522
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.1331692465655181
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.6148329689570426
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.7448864125144588
+C=CC(=O)OCCCCCOC(=O)C=C,0.2001923457003705
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.5949274541622993
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.2726960393950255
+OC[C@@H](CBr)Br,0.7901840623795501
+Cc1ccc(c(c1O)C)C,0.3476848555566918
+ClN1C2C1c1ccccc1-c1c2cccc1,0.8269840984729415
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.11650674768626162
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.2536606663736107
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.36236112348596117
+Fc1cnc2c(c1)cccc2,0.5192897755216886
+O=CC=C(C)C,0.32823854838752403
+O=Nc1cccc(c1C)[N+](=O)[O-],0.79050433930632
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.7265790103838862
+CC(=O)Nc1ccc2c(n1)cccc2,0.4458978168860328
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.23265160077340857
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.17217323941608437
+ClC(C(Cl)(Cl)Cl)Cl,0.3126057285136178
+[O-][N+](=O)c1cccc(c1N)N,0.69174155401366
+COC(=O)c1ccc(cc1)C(=O)OC,0.2789998670412827
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3619001531498814
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.3326063369486742
+BrC(C(Br)(Br)Br)Br,0.4210731730839933
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9187049029658729
+CCNc1nc(NCC)nc(n1)Cl,0.22569268958231564
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.8951745508651804
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.127237040766515
+CCOC(C(=O)C(O)O)C,0.34219833097094393
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7175237096182122
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.8809789846794372
+NCCc1cc(O)c(cc1O)O,0.42801968706517834
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7827253439152282
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.7636861663325724
+Nc1nc2-c3cccnc3CCc2s1,0.6931305796446141
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.3206714972337608
+[O-][N+](=O)c1ccccc1N,0.6378303912425926
+ClCCNCCCl,0.6538411184334956
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.12331484194297068
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8849318543595484
+Oc1ccc(cc1)[N+](=O)[O-],0.6671231928256327
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.1755375743047093
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.7344944450541299
+ONc1ncnc2c1ncn2Cc1ccccc1,0.6963280920127063
+O(Cc1ccccc1)C[C@H]1OC1,0.8601780517905862
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.9240183720031595
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.26956290953333023
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.1708341727513816
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.40055426360302837
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.916461034293287
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8357487423883384
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.763503658706329
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.33235120650580413
+Nc1cccc2c1nc1c(N)cccc1n2,0.8733821315258323
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.19876620092539588
+COc1ccc(cc1)C=O,0.3668541967092253
+CN(C(=O)C#N)C,0.44881710569888417
+CCCC(=O)Nc1snc2c1cccc2,0.2244211674952348
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.35718082797130046
+Clc1ccc(cc1)[N+](=O)[O-],0.7426924786138037
+OCc1cccc(c1)[N+](=O)[O-],0.6246765091003631
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.09317474780230181
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.21716668415951776
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.2847166693288646
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.7551359667352349
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.32478606978775476
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.5512088723462949
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.3101769191826532
+CC/C=C/C=O,0.415370064871152
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.3595232254327064
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.1368262293763224
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.4150670973317419
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8269840984729415
+CCCCCCCCBr,0.32339515703364985
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9279973013437056
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.09609862385220676
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8915787686843383
+C1CCC(CC1)N=C=NC1CCCCC1,0.394571690172357
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.744328207046215
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.8487428414121284
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.17869677409933238
+O=C1CCC(=O)O1,0.36973465388684185
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.8849814905078823
+[O-][N+](=O)c1cccc2c1nsc2,0.7274352829202946
+CNC(=O)NO,0.4755322620574244
+Nc1ccc2c(c1)ccc1c2cccc1,0.906332454911796
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.26764855722339426
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8214671402576406
+OC(=O)/C=C\C(=O)O,0.14260064640214207
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.2144209721565673
+CC(=O)OO,0.4676818707074764
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.3911463114309606
+COC(CCOC(=O)C)C,0.25265354050626665
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.5425583620188142
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8514827828502365
+CCCC[C@H]1CO1,0.3628389018145886
+C1CC2OC2CCC2C1O2,0.31638653404542294
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7537139937910446
+Oc1c2ccccc2nc2c1cco2,0.5879511936423344
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9092958855775052
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.4108325846654948
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.2420766644848523
+Fc1ccc2c(c1)nccc2,0.5747587874530296
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8907467535756395
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.8709605851782478
+Br[C@H](CBr)COC(=O)C=C,0.6412623782283243
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.584607918023364
+ClCc1ccc(cc1)OC,0.4445344639191954
+ONc1cnc2c(c1C)nc1n2cccc1C,0.8073482872499032
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.7354981437185002
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.8136098021697277
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.7044538849442702
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8198505508803903
+OC(=O)C[C@@H](C(=O)O)C,0.1877107547669397
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.6578344206560081
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.6119006500016761
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.1596999912889689
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.2400474447361696
+CC(Br)Br,0.5231852391979527
+Nc1cc2nc3ccccc3nc2cc1N,0.8984829368544734
+Nc1ccc(c(c1)Cl)C.Cl,0.6692781980196312
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.16976347912178913
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9263454878385587
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.14308020820516457
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6963989896292946
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.7012820353484817
+C=CCCC(C=O)CC,0.17368248909289885
+CC/C=C/[C@H](C=O)CC,0.17497847911347028
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.8962020196459269
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.3231525460939934
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.6991761389312126
+O=C1NCCN1c1nccs1,0.3166029840033766
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.5838608158300816
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8835939384628168
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.6524812933783897
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.23465379491946328
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.23677145089464427
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.8384481513243909
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.2231258477937849
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.40911319473740526
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.3799836700516696
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9110700687416465
+OCOC(C)(C)C,0.22006717361358785
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.9231777086593542
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.3915197843775743
+O=Cc1cccc(c1Cl)Cl,0.26630830004019296
+Clc1nc2ccccc2nc1Cl,0.4607263833868436
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.6960115393096906
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.22755470992278218
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.24838084055894497
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9189248285107251
+ICCc1ccc(cc1)OCc1ccccc1,0.45431611761252505
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.35986941054264165
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.4914039862123343
+N#Cc1cccc(c1)C#N,0.254270796915421
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.8036191491822031
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.9241417001813392
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.30136305651046597
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9261620584080164
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.6203193115764843
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.6112238735902294
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.7740646474074633
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.4383241063177729
+C/C=C/c1ccc(cc1)OC,0.34086881530565655
+NNC(=O)CNC(=O)C=N#N,0.7332669691606342
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.15479566368002323
+Cc1ccc(cc1)N=NN(C)C,0.8165921508375964
+ClCCC(=O)N(c1snc2c1cccc2)C,0.4228336227958603
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.9010754348789084
+CC(=O)Nc1cccc2c1nccc2,0.45344302410039794
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.5623656243519828
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.24550331597531366
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.3904590686288509
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.5692350698653345
+BrCc1ccc(cc1)Br,0.2440018740613966
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.7836382583152097
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.3709852586169586
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.10859116139751111
+C/C=C/C,0.3243460565106359
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.848105849523037
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.7932804379042555
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.19971505825778196
+O=C1NC(=O)NC(=O)C1(O)O,0.3096767076233023
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.11484027495169397
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.6013218544339998
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8566132976298538
+Nc1nc2c(s1)ccc1c2cccn1,0.7708215164456873
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.2628454229899949
+CCCCOB(OCCCC)OCCCC,0.16002597881308167
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.15255640108199708
+CC(=O)c1ccc[nH]1,0.314447943833347
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.10111266166553767
+Clc1ccc2c(c1)nc([nH]2)N,0.5419408606266665
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.1722413210706487
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.4396385826559181
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.750392226123865
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.08774803415116955
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.5283215928229253
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.0936202861035442
+CCCCSCC[C@@H](C(=O)O)N,0.15896280468163287
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7771644132604664
+Cc1ccc2c(c1)nc(n2C)N,0.6846094691678346
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8928884614571737
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.30095444939656135
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.8765385562591937
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.2596851137450209
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.27860275926092326
+c1cnc2c(c1)CCC1C2O1,0.4304992060213811
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.3447656336571538
+CCCCN(CC(=O)C)N=O,0.8284278947360018
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.34412428573135606
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9138147003715107
+ONc1ccc(cc1)Oc1ccccc1,0.7110022129181118
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.8422239079194465
+CCOC(=O)CNC(=O)C(Br)(C)C,0.4008482798637962
+CCC/N=N/O.[K+],0.7802008331075535
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.6276009996434644
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.5645274842140408
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.17877667168876799
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.6873167954480378
+Cc1cccc2c1cc1ccccc1c2,0.8606510134288716
+Cn1ccnc1S,0.3333590143480309
+COc1cc(cc(c1O)OC)C(=O)C,0.31069845561902276
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.20794723135240448
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.3348326581273975
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.6611216727907167
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.7957632068821746
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.3274378630476249
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.115014363801885
+NCCNCCO,0.32950518988620064
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.8520367032048677
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.5871139888718343
+Cc1cccc(c1)N.Cl,0.2510592366548739
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.14020461065035414
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.8552793486558632
+CC(=O)Nc1ccc(cc1)N,0.38335933255814064
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.9011251079263234
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9168844863519857
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.7605498615019449
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.1451617119122676
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8766715407647642
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7911440063982853
+OC(=O)CCN[N+](C)(C)C,0.22948528451251451
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9224952954139335
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.2726960393950255
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.16573321931994758
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.2028665806017197
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.23746405613587387
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.7841188919027958
+Clc1ccnc2c1cccc2,0.6110963769970797
+OCc1ccc(cc1)Br,0.21134047594594524
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.13615912347005463
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9245742128395776
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9094434178245161
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.1853992621183311
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.7387668561968845
+Cc1nc2c(nc1C)ccc(c2C)N,0.7321712862244515
+CC(c1ccccc1)Cl,0.19186836572261592
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.22858823868292738
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9288512284030651
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8634560143026997
+OCCN(CC(=O)O)N=O,0.6249830629209266
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.15144289666258726
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.40011501634923646
+C[Si](N=N#N)(C)C,0.47185281252570366
+O=Nc1ccc(cc1)N(C)C,0.7279168107743517
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.14704098801839272
+O=Nc1ccc(cc1)Sc1ccccc1,0.7094770589230202
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.6452091552035804
+COC(C)(C)C,0.22181466220938983
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.6156823057759194
+ClCCN(c1ccc(cc1)C)CCCl,0.4719034517946737
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.11172962404819489
+CCOCCOCCOCC,0.23533697880814036
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.6297965575753083
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.9082218817964659
+C/C=C(/C=O)\Cl,0.7006176584747681
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.17146493400794713
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.8211223511657172
+OC(=O)/C=C/c1c[nH]cn1,0.3090601145193377
+NC(C(=O)O)CSC(C(F)F)(F)F,0.2812298467448308
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.14550455878384427
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.6631345063173812
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.4528586089948843
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9168222034478225
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7003538092271103
+Clc1ccc(c(c1)Cl)N,0.2709246862146174
+CCCC[C@@H](C(=O)O)CC,0.10497563901184676
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.09814840599019693
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.27050629359818185
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.18912689256113502
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.39050725637018086
+[N-]=[N+]=NC[C@@H](CO)O,0.7400768443624629
+CC1(CO1)C=C,0.305182489767561
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.648837003994363
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.14287520477640472
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.7265360550992868
+O=CN(c1ccc(cc1)c1ccccc1)O,0.7147595454053408
+CC(=O)CC(=O)C,0.1672393484327135
+OC1CC2C(C1(C)CC2)(C)C,0.09723348881896758
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.5051594083615283
+NC(C(=O)O)Cc1ccccc1,0.201087798763362
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.6580265403164842
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8338025548628226
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.8011688539865659
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.18385774771698526
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.541247549572629
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.8582258217813414
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8594586469616641
+O/N=C/c1ccncc1,0.5256482461364813
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.2286946587453356
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8394662445394704
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.8925308737789599
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9284624509555118
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.5666780849122028
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.17964681855373474
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.6555388927264097
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.11182762151995561
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.8698034448438493
+O1CCOCC1,0.34871048221396783
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.29193551670031465
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.12761344308829653
+c1ncn[nH]1,0.22983569953454744
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.19944334946995737
+C=CCCCC[C@@H]1OC1,0.4715442756630077
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.48979656736509036
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.3353223537336376
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.5972350150016376
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8457533678957206
+CN(N=O)CC,0.7666306529997854
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.22201891472538765
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.5193331793430247
+CC(=O)c1cccn1[N+](=O)[O-],0.6943935878822995
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7648167000331444
+Cl[C@H]1O[C@H]1CBr,0.8361538367139252
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.6563503264478717
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.17432840017140752
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12388268183415337
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.4312026035628859
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.7573839755538496
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.2473862881582424
+O=NN1CCC[C@@H](C1)C,0.8241940684543264
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8335649923313478
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.24397654656391335
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.24033196087295958
+OCC(=O)N(c1ccc(cc1)Cl)O,0.32625765530360845
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9284018860402804
+OC1c2ccccc2Oc2c1cccc2,0.4813556930695982
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.5232944415689537
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.6051022085417715
+ClCC(=O)Nc1c(CC)cccc1CC,0.41579349938935933
+Nc1nc2c(n1C)ccc1c2cccn1,0.9026547489519544
+Clc1cccc(c1NC1=NCCN1)Cl,0.4043736758931364
+CC(C(C)(C)C)OP(=O)(F)C,0.19894404522234135
+CCN(CCCC(=O)O)N=O,0.848064636511778
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7968569207854521
+C=CCc1ccc2c(c1)OCO2,0.31082734620100544
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.17860127082200505
+OC(=O)/C=C/Cl,0.4601773211427815
+O=CC=CNCCCCC(C(=O)O)N,0.33084117174320166
+CNc1ccccc1N,0.6721501808907204
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.13183652231961213
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.42354196536732236
+O=NN(Cc1ccccc1)Cc1ccccc1,0.6489398430322781
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.19648538846512273
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.24953065360348411
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.13131247859636253
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.3752832395076058
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.8176094335196202
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.10302416840386326
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.8139623971020221
+Cc1cccc2c1nn[nH]2,0.612349512393383
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.12025739156640963
+O=C1NS(=O)(=O)c2c1cccc2C,0.25420022723235863
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.21618314187142434
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.5705788193722857
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.7381577873809287
+OC(=O)c1cc(Cl)cc(c1)Cl,0.13597542340337856
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.908181265856638
+Cc1ccc(c(c1)N)C,0.744018262057702
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9213211075433247
+CCCNc1snc2c1cccc2,0.38898069315764183
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.8347300823436412
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.7175802463884843
+CC[C@H](c1ccccc1O)C,0.19344701090782176
+CNC(=O)NC,0.302652558109702
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8513682061719108
+Nc1cccc(c1C)N,0.5610317207659338
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.3174128389898934
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.32323634737893187
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.14260064640214207
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.12131307684902738
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.30223865333684835
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.14839735343287144
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.2821848220157632
+Fc1cccc2c1nccc2,0.670660982561224
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.1772801213089982
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.3724220075170364
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.6499661544550862
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.7706793345099566
+OCC1CC1,0.5223351133507252
+ClCCN(C(=O)NC1CCCCC1)N=O,0.8064666664357152
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.8205177317911104
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.07723986482223603
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.44291732129037636
+CC/C=C/C,0.2494245308959366
+ClC(c1ccccc1)C(=O)Cl,0.636832411942354
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.642108118598353
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.216296888999743
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.6792302692656961
+OCC(C(=O)O)N,0.31747562478497365
+OCC=C(CCC=C(C)C)C,0.0894664152778828
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.8825621928896368
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.8274631782676017
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8835512156468636
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.44601447722071785
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.3971386935141988
+C=CCc1ccc(c(c1)O)O,0.2820090681928682
+FC[C@H]1CO1,0.6679864912527108
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.18493713285495345
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.10835436409798344
+CCCC(=O)Cl,0.413681506243982
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9010967701736454
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.32940566425520246
+OC(=O)Cc1ccc(c(c1)O)O,0.24220766981649786
+CSCC(C(=O)O)N,0.3367417173988172
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.45499398285898995
+O=NN(CC(=O)O)CC(=O)O,0.403854103554625
+OCC(Cl)(Cl)Cl,0.6805917056367103
+ClC(=O)c1c(Cl)cccc1Cl,0.4186050245678028
+Nc1cccc(c1)Cl,0.27628576454759274
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.23645723999240362
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.7810835158569129
+Clc1ccc(cc1)[S@](=O)C,0.21062344981182102
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.6591110076791771
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.5526607080708857
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.8349584967979228
+CCCCCCOC[C@H]1CO1,0.4671378683095453
+NC(C(=O)O)Cc1ncn[nH]1,0.4224667987830322
+Clc1ccc(c(c1)Cc1ccccc1)O,0.41805128175434275
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.9028387004550297
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.6673729787048789
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.12922291824523782
+CC(=O)Nc1cccc2c1ncc(c2)F,0.4179870147473087
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4837341212753857
+O=NN1CCN([C@H](C1)C)N=O,0.8488014778169809
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.24769355905722312
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9219901986010774
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.8978778529576554
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.4564501052687095
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.4348720726069265
+Nc1nccs1,0.3344566195508972
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.1243253043636881
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.7618995677270706
+O=C1C(O)CC(N1C)c1cccnc1,0.29367551182934476
+OCCCCN(N=O)C,0.8853978603287979
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8039083928101318
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.2705911337406473
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.2003549716127564
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.2713230099032534
+OCC[N+](C)(C)C,0.15718094557124088
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.7831648779156232
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.7955446363106036
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.387900082934039
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.131621026263538
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.10571842753500782
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.7883816185731722
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.7081747716554808
+FC(c1ccccc1)(F)F,0.24197694010855028
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.1794740655891672
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9170525220609202
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.7008959657754676
+Ic1cc(Cl)c2c(c1O)nccc2,0.39628534196130705
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.44696239487458445
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.5756708482668756
+Fc1cc2cccnc2c(c1)F,0.6342285401655522
+Nc1cccc2c1ccc1c2cccc1,0.9140083685470379
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.5678466364191462
+CCCCN(CCC)N=O,0.7396607396723437
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.20305784982443992
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.10166421713824607
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.7966954272527887
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.10528989494867505
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.9066086888136223
+c1ccc2c(c1)[nH]nn2,0.3255861976443849
+O=NN1CCCN(CC1)N=O,0.7942541102118154
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.753753904180735
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.7328174174577934
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.39945478100977866
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3748068790526828
+ON(c1ccc(cc1)Br)C(=O)C,0.3582036363973746
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.6093877134449396
+O/N=C/c1ccccn1,0.4978236952999999
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.0956489259161954
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.16714308743426268
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8911538337740486
+CC(OC(Cl)(C)C)(Cl)C,0.24037478775109988
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9250374269488362
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.7167323107172024
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.6391414220938015
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.33974486630758394
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.43558977137174365
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.35951531957402494
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.5959801371003298
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.19467677402254613
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8944625549981599
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.16525266881497747
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.8952872168752646
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.10174499509269565
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.2701823060082475
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.2693960598822629
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.887402596379789
+NCCc1c[nH]c2c1cccc2,0.4077249736950162
+CCN/N=N/CC,0.7514053731912357
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.24119357980797176
+Clc1cc(Cl)c(cc1O)Cl,0.10589949997048106
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.37759711780533645
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.15651222122807174
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.26981557326912464
+CCNc1snc2c1cccc2,0.42892380605365493
+CCCCCCCCCCC,0.10443004527790137
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7803827894645124
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7108104530217715
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.5383320485086165
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.5683010865103504
+CCOC[C@H]1CO1,0.7427987686084958
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.42855380295969364
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.1985597600900142
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.6050258824088878
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.7723836004604293
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.2664015193951497
+COCCOC(=O)C=C,0.3928903447745349
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.14281161672604975
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.839763006584226
+Ic1cccc(c1)[N+](=O)[O-],0.5982289583255165
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.6687112170414174
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.1046729490856194
+CC(=O)NN,0.3851286629047244
+CC(=O)C(=O)C,0.3556968582754001
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.7845986658808211
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.8565433051017457
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.8031854912489242
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.6482010289351823
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.550934528270635
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.40894716033915707
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.17423441242542406
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.17618089666752748
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9041583092846152
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.1889203303396172
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.34762033076308785
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.31793184766694227
+CN=[N+](C)[O-],0.5234374745087357
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.44349777125190104
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.650609422198852
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.829763659424957
+CCCCCCCCCC(=O)O,0.0867085726484962
+CC/C=C/CC/C=C/C=O,0.28052970476815753
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.12125439653250239
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.19300751235573946
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8535437360505557
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8347363575341359
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.17022284843824534
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.41627090766234937
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.3220594002076993
+OCc1ccco1,0.3594157010116668
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.34262307363791
+OC(=O)C(=O)O,0.26392808712900984
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.7643563618783955
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.4771226437997756
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.3226864165704944
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.3952387095996537
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8148353635683993
+NC(=O)CBr,0.6067173186605321
+CCCCCC,0.1567924511459236
+NCCCCC(C(=O)O)N,0.28325316395722705
+Cc1cc(C)c(c(c1)C)C,0.15022429219601116
+Oc1ccc(c(c1)C)C,0.3461470739087392
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.910959590778656
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9246369064147792
+Cc1ccc(cc1)Cl,0.17701898571829183
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.1925734389848821
+O=C1C=CC(=O)N1,0.2966414760882078
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.6762187486950132
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.5873632443184061
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.16007820714943918
+CC(C(=O)NCc1ccccc1)Br,0.6616746194126447
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.7468482081190944
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.8000798777957058
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.19031525342560499
+N[C@H](C(=O)NCC(=O)O)CS,0.6192809069805386
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.744876210885795
+C[C@H](C(=O)NCC(=O)O)S,0.36620282493910844
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8383673369299878
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.7522016740057915
+ClCC(=O)Nc1snc2c1cccc2,0.6243708039081898
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.7377897086481133
+CC(C(O)C)O,0.18427685781166905
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.26827739294911424
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.6238855574956257
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.17289509524708677
+ClCCNc1ccc(cc1)C,0.4743153532473948
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.10905235381607067
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.4700271360485567
+CNP(=O)(N(C)C)N(C)C,0.2420370536676558
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.10640699028677754
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.25228692622495846
+CC[C@@H](CN)O,0.2509415996973243
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.5807217185136452
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.11655543737112005
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.1530536706028509
+Brc1ccccc1,0.2041782073403153
+O(Cc1ccccc1)Cc1ccccc1,0.35021035021465663
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.6210919165956647
+OCC#CCO,0.3350317014961208
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.8210963591406047
+O=C=Nc1cccc(c1C)N=C=O,0.5149476447734924
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.7961580279636756
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.11590148628564446
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.8932668016568361
+OC(=O)CS,0.2213779353133836
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6673530012332635
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.9070383325679705
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.8946320594062567
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.13086440438050537
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.9035370935548478
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.17016847787842435
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8931644568365652
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.1455683621004577
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8013987352644668
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.8960936442757591
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.7984740320693888
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.28142104492134346
+C=CCOC(=O)COCCC(C)C,0.20737789985592683
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.7315199748244076
+CSC(/C=N\O)(C)C,0.3092765019699372
+ClC/C=C/Cl,0.8477987284488069
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7598334695286852
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.3819665538721497
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.18099480904339885
+FC(C(C(F)(F)F)F)F,0.1672214522037557
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.826559243413145
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.4025556988851689
+Clc1ccc(c(c1)O)Cl,0.13114839776584702
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.14847269342057057
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.7644819595937072
+CCCCN(CCC(=O)C)N=O,0.8448225746034337
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.12165092413729126
+O=C1C=CC(=O)C=C1c1ccccc1,0.4706839151783086
+Clc1ccc(cc1N)C(F)(F)F,0.27400403524442346
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8645176211692469
+CCOP(=O)(N(C)C)C#N,0.25587224041387924
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9184075590961074
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.29923261447618266
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.8406005029494842
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.6045425502980456
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9120487334592168
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.10930142248960406
+O=NN1CSCC1C(=O)O,0.6868987634752853
+COP(=O)(OC)OC,0.2588853965080336
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9002764120506825
+CC(CO)Cl,0.7362422612182602
+C[n+]1c2ccccc2cc2c1cccc2,0.8953227620824783
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8738108961065051
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.5301847974810844
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.3039087016053371
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.8955885011455809
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.2122957056544304
+CC(N=C=NC(C)C)C,0.38349463258654354
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.2495808450765331
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9220981431432833
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.804068798424401
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.9136347715102411
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.6766445085071038
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.7998804904819741
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.10714151408752753
+Clc1cncc(c1)Cl,0.2720360243360411
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.69428010424556
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.23051452830551897
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8699843510831745
+CCCCCCCC(=O)Cl,0.1849937918256242
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.12573020694701778
+Cc1nc(N)nc(n1)N,0.2401611181121331
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.6870161733839724
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.4436990045787461
+NC(=O)OC1CO1,0.7421735290588763
+Cc1ccc(c(c1)C)C,0.22938921533625525
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.7394553546142582
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9070808871165418
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8417323593866846
+O=C1C=CC(=O)C=C1,0.3878745632451194
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8905960580639987
+Cc1ccc(cc1)[C@H]1OC1,0.6873080160966848
+ClC(=C1C=CC(=O)O1)Cl,0.6910885243334844
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9081801211013146
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.25169442174143675
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.5627298107934309
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7409988599787825
+CC(=O)c1ccccn1,0.255389032331326
+S=C(NC1CCCCC1)NC1CCCCC1,0.18538224136044515
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.34034638106558823
+NNCCO,0.349348735424398
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9029755897156537
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.6691193977398553
+CCCN(C(=O)SCc1ccccc1)CCC,0.18546458703717877
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.539430798003887
+Cc1cnc2c(n1)cccc2,0.6838167584297891
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.10032491715224685
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.34128713071784383
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.18848959583846941
+Nc1sc2c(n1)C1CCCNC1CC2,0.4389578959545283
+ONc1ccc2-c3c(Cc2c1)cccc3,0.8755725638842599
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9162072773098402
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.2985607770615666
+Nc1ccc(c(c1)N)Cl,0.6260706121495113
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.18407035817736425
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.6307438714312784
+N#CC1=C(SCCS1)C#N,0.3522620992909172
+C[C@H](CCC(=O)c1cocc1)O,0.2487541076845591
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8760841748197584
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.6926165650147478
+CC[C@H]([C@@H](CO)C)C,0.13591447194571782
+Fc1cc2cccnc2c2c1cccc2,0.8570770375869867
+Oc1ccc(cc1)c1ccc(cc1)O,0.5082706939824027
+FC(COc1nc(N)nc(n1)N)(F)F,0.2465780197756588
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.7442821627658636
+O1Cc2c(C1)cccc2,0.29846837292228284
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.5317657725052065
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.5917577346806102
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.12115569348926959
+CCON(C(=O)c1ccccc1)OC(=O)C,0.6450546884966386
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09505602142465971
+c1coc(c1)c1nc2c([nH]1)cccc2,0.6030574491278883
+Nc1ccccc1C(F)(F)F,0.19810671451726064
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.2405325620563279
+OC(=O)c1occc(=O)c1O,0.3353465999898053
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.20873143726135748
+Cc1cc(N)c(cc1C)C,0.573733648518944
+O=Nc1cccc(c1)C,0.5683844714523693
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.6204937236077234
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.6836717191194981
+CC(=O)Nc1cnc2c(c1)cccc2,0.5895356337148183
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9251339272640325
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.8238763876939323
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.8642361081007081
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9151067181156691
+C1CN2CCN1CC2,0.29180730482704154
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.36684268645363005
+FC(C(Cl)(F)F)(Cl)F,0.24735493940047631
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.18424105054481124
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3388460985057762
+CNc1ccc2c(c1C)nc(cn2)C,0.7174909399512406
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.4218049032812316
+CCCCCCCCCCCCCCCCCCCC,0.11396585809704035
+CC1c2ccccc2-c2c1cccc2,0.6647160303012035
+CCCOc1ccc(cc1N)N,0.5783161110180901
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.7687571679001621
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.7059460509207877
+COc1cc(ccc1O)C[C@H]1CO1,0.7283321473127408
+N1CCc2c(C1)cccc2,0.35564573917016506
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.6591873211011047
+CNCCO,0.21732338734235124
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.1591774103767563
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9218105371847293
+Clc1ccc(c(c1)N)Cl,0.3234121693246747
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.22201936390017413
+BrCc1cccc(c1)[N+](=O)[O-],0.6953484557116208
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.26900342800932153
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.21280758616415812
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.21252650824951572
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.21195188351982383
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.6755034141638095
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.24375548551297793
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.7592948869314038
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.4054938670189972
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.45652022466631664
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.8709704219350582
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.37387796709292154
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.16177376744566369
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.8239317482978341
+ClC[Si](C=C)(C)C,0.368109241176381
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.3537630147937727
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.1482388603559934
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.7472870602588289
+CCNN=NCC,0.7755955367024242
+O=C1N(C)CCCN1C,0.38161392684781875
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.1740468497476218
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.7538365514023059
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7858608927790455
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.471846397751034
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.5420075449019451
+[O-][N+](=O)NC,0.5462300092506486
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.08565109443347947
+O=NN1CCO[C@H](C1)O,0.7972072657897772
+CCCCCCCCCCCCS,0.24214310779158357
+ONc1ccc(cc1)N=Nc1ccccc1,0.8471310814954046
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7488720026506807
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.25647633202826065
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8944317716130694
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.699060741425988
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2295081895737765
+CCN,0.2929777242565846
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.6416059544773182
+OCCNC(=O)N(CCCl)N=O,0.8024205392511804
+CCOP(=S)(SCSC(C)(C)C)OCC,0.21917013420414727
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.9177820456637358
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8652012953586533
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6456997127356177
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.5271040924320196
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8320829935194098
+CCCc1cc(O)nc(n1)S,0.22869555670648287
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.8734921572726055
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.7405835518408536
+N#Cc1cccc(c1)C,0.23974940871947026
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.8993278135851724
+FC(C(F)(F)F)C(F)(F)F,0.16889377978668874
+CC(=O)N,0.19493610023036403
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.184124508202609
+[O-][N+](=O)c1c(C)cccc1C,0.6120083508545688
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.17006855663256476
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.7879414491152776
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.22186367756938788
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.32527975312088075
+OCCCNC(=O)C(C(CO)(C)C)O,0.2724123787598775
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.8765585332623349
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.18221448857234074
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.6673672518361219
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.7543911833266618
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.6035363232682207
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7920938861564141
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.6983283702074523
+OCCI,0.6549958133398471
+Nc1ccc2c(c1)c(Cl)ns2,0.6159368411115855
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8209245622402129
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.19995077481504167
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.6129827621931024
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.8055531707699471
+Nc1ccc(c(c1)N)O,0.6030002754239158
+C/C(=N\O)/C(=O)C,0.4526313662250401
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.425373132407062
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.19897163395057765
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.42185109391370823
+OC(C(=O)O)Cn1cncn1,0.43012537912020377
+CCOC(=O)N,0.35318869378621115
+NCCCCCCN,0.2201386566198265
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.369256423018411
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.2693428485795611
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.2737948424531781
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.20775199802013686
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.13050411566496037
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.28500502399144956
+OCc1ccccc1,0.19213940150784367
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3155498179612856
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.7942071294165742
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8873057793258894
+CCCCCCCCCCCCCCCCN,0.11238868508281144
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.2967683890154089
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.5235128207547501
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9148285697965267
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.28734600940576477
+O=C(c1ccccc1)c1ccccc1,0.3603650389783378
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.25169442174143675
+NS(=O)(=O)c1ncn[nH]1,0.35376228088867095
+OCCP(=O)(O)O,0.17309767274238094
+C[N+]1(C)CCOCC1.Cl,0.17687385613949982
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.1656954274768638
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.6785772408718973
+[O-][N+](=O)NC(=N)NC,0.7019322604362371
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.8520105944895386
+O=Nc1ccc2c(c1)cccc2,0.8223092558802333
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.7101624867750689
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.19068831339487585
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.703008300404817
+ClC[C@@H](CBr)Br,0.830052342943062
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.12119867155944582
+ONc1cccc(c1)c1ccccc1,0.7482620104817703
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7367823912285297
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9220922297164866
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8683282636213425
+C1CCC2(CC1)CO2,0.3717043171355899
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.9091312250634757
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8949963755561086
+C=CC(=C)C,0.2930735244606156
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.8211352162779031
+Cn1c(N)nc2c1c1cccnc1cc2,0.8429688700219458
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.662200715328863
+Fc1ccccn1,0.28654771961154524
+C=CN1CCCC1=O,0.42355164746841173
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8881613834336337
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.7766726922283872
+CC(CCON=O)C,0.7428362617397785
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.14109755318979186
+OC(=O)c1sccc1S(=O)(=O)N,0.20096324741106025
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8016318113986896
+O=C1C=C(O)c2c(C1=O)cccc2,0.39818134587490883
+NNc1ccccc1,0.7158470391992701
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.8274526611041967
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.1794882963399568
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7304350454643594
+Clc1cccc2c1cccc2,0.3329171657997582
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.6459866268280867
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.7227199667548557
+C=CC(=O)NCCCN(C)C,0.2402887670719862
+O=Cc1ccccc1C,0.22655681183847629
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.20047484895676654
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.49607013849676884
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.8994234397052709
+COc1cc(OC)[nH]c(=O)n1,0.37762691095614237
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7535661257543884
+COc1cccc(c1)[N+](=O)[O-],0.6934766594958921
+CCCCc1c(=O)nc([nH]c1C)NCC,0.2750631196531941
+ONc1[nH]cnc2-c1ncn2,0.6265060559930986
+Oc1ccc(cc1)c1ccccc1,0.44291828223178165
+C/C=C/c1ccc(cc1OC)OC,0.419792286464235
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.36292655083898184
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.15790725150395954
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.8470648198951936
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9018060073250884
+CSCCl,0.6189755832690111
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.7766517613323545
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.6006619744616297
+COC(=O)C1=CCCN(C1)C,0.3271518928649207
+COC(=O)C(=C)C#N,0.4154198468075357
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.8295558472073056
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.3757414709823818
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.8973888039776601
+NC(C(S)(C)C)C(=O)O,0.25416654968131996
+CC(N)(C)C,0.21330941419742971
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8909943084937324
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.7278721074901432
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.7781695608383409
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.2242834780319022
+OCCNC(=O)C(O)C,0.5707424021101553
+OCc1ccc(cc1)OC,0.28271314988110874
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.1469270546432825
+CC1(OC1)c1ccc(cc1)Br,0.5822813008454347
+OCCN(CC)CC,0.24402141216361006
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.3420792890093177
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9148188976686383
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.7855273440805735
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.12065779576013849
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.6201863798998937
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.7527591557745064
+CCCC/C=C/C=O,0.24704486568099088
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.2242690801142795
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.8425229597740832
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8983974509618539
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.3242980831178567
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.3060797699924172
+Cc1ccc(c(c1)C)N,0.7643600632740555
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.34495131722875083
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8743230428749899
+C1O[C@H]1C=O,0.6887093387719412
+C[N+](CC1OC1)(C)C,0.42264214203209605
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.36984918658500754
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.418030669964287
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.5324872014430762
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.08262652314318393
+CCOc1ccc(cc1)N=O,0.766683989710928
+CC(=O)C=C,0.3404970043866778
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.39622929494051096
+C1C2SCC=CN2C1=O,0.3516774698133011
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.8466835511511359
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.3544812624190847
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.8649619684431691
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.8526384179816652
+OC[C@H](O)C,0.28478400230614154
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.6853908598197824
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.20279397940755517
+N#CC(=C(C#N)C#N)C#N,0.342250792288346
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.3675460878329066
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.7560501883476243
+NCCNCCNCCNCCNCCN,0.3324623030676262
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7838599382585512
+OC(=O)C=C,0.22773798044546675
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.866068863379071
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.8951440671006428
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.8907850099907224
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9153489953027599
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.28652666496361884
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.4748770220970665
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5122480641327399
+CCCCOCCOCCO,0.22092796019395838
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.4382964244630476
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.21744212573093838
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.3199556077645886
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.3208946522465662
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.1158022125446521
+[O-][N+](=O)c1cccc2c1snc2,0.7970554637580822
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.5630107198315213
+C1CCCN1,0.28867342185422085
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.45473207989142383
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8283947614929684
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8851236177580721
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.8142948790918587
+COc1cc(O)nc(n1)NC(=O)N,0.27109530701633444
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9150653222934049
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8774420577837584
+Fc1cc(F)c2c(c1)nccc2,0.6266267315103986
+CCCCN(CC)CC,0.16596966024434792
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.3508889805755009
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.635958175874543
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.5264900105127139
+ONc1ccc(cc1)Sc1ccccc1,0.6358766019371608
+OC[C@H]1CO1,0.6523202047229723
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7154453445620835
+ClC(C(C(F)(F)F)(F)F)Cl,0.19497764482503788
+O=NN(CC(=O)C)C,0.8378666379577392
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.6654486818409757
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.22344595571883494
+S=C=NCCc1ccccc1,0.532504098917905
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.8120426110017331
+CCOc1nc(N)nc(n1)N,0.24976278962149742
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8802900482702878
+Cc1nccnc1C,0.2578958978190729
+CS(=O)(=O)C,0.35410331835876424
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.13029837264058358
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.30681621986426966
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.7517358664557668
+Nc1ccc2c(c1)cccn2,0.7995792593798701
+CC1OC(C)OC(OC(O1)C)C,0.2531801084072172
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.10997524772587725
+Nn1c2ccncc2c2c1cccc2,0.8069105867126026
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.7422958231941238
+COC(CC(=O)C)(C)C,0.21951816461721319
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.5759210390781954
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.4337760536118633
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.8243093719407717
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.2860592394790433
+N#C/C(=C(/C#N)\N)/N,0.4355891951118323
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.663162916233139
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.4350309674351381
+ONc1ccc(cc1)Cl,0.4519879672162062
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.6466906152019583
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.10091731102456811
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.7368292751349393
+ONC(=O)c1ccc2c(c1)cccc2,0.5897098613391795
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.1280321518204341
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.33557388687334483
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8029644038459853
+CCCCCCCCC(=O)OCC=C,0.1172685998308277
+Fc1ccc(c2c1ccc1c2cccn1)F,0.8500949885300543
+O1C[C@@H]1[C@@H]1OC1,0.7152874659625476
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.11784568426956216
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7662634526909596
+NN(c1ccccc1)c1ccccc1,0.6128806361101536
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.845460610802924
+Cc1cc(C)c(c(c1)C)N,0.5635156504726753
+CC(=C)C(=O)OCCO,0.32791949821312394
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.17831532266436514
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.35696858112759494
+CCCCCCCCCCCCCCCCCC(=O)O,0.07305169898500181
+CCCC(=O)OC1CCCCC1,0.20087788365657894
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.6456997127356177
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8497656034999387
+COc1cc(N)ccc1N,0.7525038282764653
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.1820601588747884
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.760239601772433
+N#Cc1ccc(cc1)C(=O)O,0.2523849736911372
+CC1=CC[C@H](CC1)C(=C)C,0.12209308315940443
+COC(=O)CCl,0.6576423017031321
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.49486502754919337
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.2678326699035174
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4644130004546111
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.5028632224445901
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9244064802775857
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.7283417313693339
+ClCc1ccc(cc1)OC(=O)C,0.3816051940418239
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.6260716751773071
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.23276852003782272
+Nc1ccccc1c1ccccc1.Cl,0.8227187136680467
+CC(C(=O)NCc1ccccc1)Cl,0.6205920716001825
+ClCC(F)(F)F,0.16255962062038734
+CCCCCC[N+](=O)[O-],0.4701358240727576
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.8848557364858897
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.41539617917800625
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.740930912684268
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.1369209774476997
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.8790425565097608
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8710831010620089
+CC(C(=O)O)N,0.2365220276049963
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.2821927350451612
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.4657194642347139
+BrCC=C,0.7516425816444734
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.19968975281983892
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.1514220183403904
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.8944231477068274
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.8720466376084176
+Oc1cnc2c(c1)cccc2,0.4190077040994475
+CCCCOS(=O)(=O)C,0.5182975914735523
+Sc1ncnc2c1[nH]cn2.O,0.6868156991270152
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.18396758390224477
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.27354440214340864
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.20090115911799158
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.22037856665985142
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.7675920120471509
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.6336950356083154
+C=C[C@H]1CCC=CC1,0.1842081242403261
+O=Cc1ccc(cc1)[N+](=O)[O-],0.7480712475901987
+COC(=O)CCCC(=O)OC,0.24985846383796967
+CCc1ccc(nc1)C,0.31252888368772713
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.7577173597728117
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.5378559530315605
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.2221153125170796
+O/N=C/C1N(CCN(C)C)C=CN1C,0.3548412468936957
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.1388458308602933
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.6357738186611827
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.08403388972767122
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.3491189673882948
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.30803778036253415
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8902076581361282
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.22177198154898745
+Sc1ccc(cc1)[N+](=O)[O-],0.6463428843396042
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.2609235481178194
+CC(=C)C,0.25655599157239034
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7638297888525191
+Nc1ccc(cc1Cl)C(F)(F)F,0.26761579794164486
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.17160166930825071
+S(Cc1ccccc1)SCc1ccccc1,0.33865282590229184
+OCC(COP(=O)(O)O)O,0.16796500969806427
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.13569924729437355
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.5195355928949972
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.15626674646781114
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.21392293448362903
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9056391154448393
+O=C(C1(C)OC1)Nc1ccccc1,0.7128172727185133
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7802536490953895
+c1ccc2-c3c(Cc2c1)cccc3,0.4919547215764463
+C[C@]1(OC1)c1ccccc1,0.6626760251965186
+OC(=O)C[C@H](C(=O)O)O,0.1175017553917359
+O=C([C@]1(C)OC1)NCc1ccccc1,0.6735730153043786
+CCCCOC(=O)c1cccc2c1nccc2,0.3874681283301664
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8411339690418991
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8873593910774845
+O=NN(c1ccccc1)c1ccccc1,0.6202483034789414
+CN(Cc1ccccc1)C,0.3078051326058956
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.923260825242655
+O=NN1CCOC(C1)O,0.7972072657897772
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.48589878810795545
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.16967032256462578
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.13911572693433527
+O=Cc1ccc(cc1)C,0.2547099192503422
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.2772811434679884
+CCCCN(/C(=N/O)/C=O)N=O,0.8300871688361544
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.8727243940034712
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.6427088035760118
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.7228055372237527
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.44555201633209457
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.17849930579368375
+CCSCCSP(=S)(OC)OC,0.26238299016556166
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.11800082376405234
+C1CCCCC1,0.1751875142898595
+O=Cc1ccc2c(c1)OCO2,0.3914884181871197
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.6846781889942757
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.12966305736937286
+COc1nsc2c1cccc2N,0.7381230104189209
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.12179945957367642
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.920675400184786
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9060228439766628
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5519305609842545
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.21204066383751874
+NC(=O)c1ccccc1C,0.37871881701581267
+OCC(=O)Nc1c(CC)cccc1CC,0.24975722398612055
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.798898542955081
+C=CC(=O)c1ccc2c(c1)OCO2,0.3635045932292839
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.30796639125722
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.6879897215193833
+Fc1ccc2c(n1)cccc2,0.5367666252063253
+CC/C=C\C#N,0.35879712981764356
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.23264379535229213
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.6312937358265586
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.3652906785851385
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.10797746384501962
+Clc1cc(Cl)nc(n1)Cl,0.25033090739381947
+ClC1CCN(CC1)N=O,0.8663102939946189
+CCCOO,0.5242030430892091
+OCC(C(c1ccccc1)N=N#N)O,0.544016190428265
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.532875649201093
+CCc1ccccc1O,0.25244075688280027
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.14462351719998426
+O=NN1CCCCCC1,0.8262916591315983
+CCOC(=O)OCC,0.27210178919767425
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.16478506659127476
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.7902091668311958
+Nc1ccc(cc1)CCc1ccccc1,0.626407384497384
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.7687946892002828
+Cl/C=C(\C(Cl)Cl)/Cl,0.8362553732929527
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.18520765925163457
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.2583100940338588
+c1ccc(cc1)c1nc2c(o1)cccc2,0.4941435794567308
+CCCBr,0.6165810880891206
+CCCCNCCCC,0.1223275345028462
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6952607280850662
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.19492389612773142
+BrCC(C)(C)C,0.45653202048194347
+ONc1ccccc1C,0.6770736828848241
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.21074164049466904
+OCc1ccc(o1)C=O,0.32241103678710653
+CNC(=S)N(C)C,0.4212464499395373
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.8428824223671539
+NC(=S)NCC=C,0.3921263065758015
+Cn1c(N)nc2c1cc1cnccc1n2,0.786465488549641
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.16965834443810562
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.5335192293721139
+CC(Cc1ccccc1)N,0.3506133038247466
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.6089700189758146
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.4579241647028687
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9165003938229483
+CCC(=O)C,0.2524750402854077
+ClCc1ccc(cc1)C#N,0.36618359361323005
+Clc1cccc(c1)C(=O)O,0.12190417567614066
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.4773752478683482
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.8155850470957676
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.13317089690852757
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.21334804189277573
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.7135808055765546
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.12112060608404712
+CC(=O)N(c1snc2c1cccc2)C,0.45916571520901933
+Clc1c2ccccc2cc2c1cccc2,0.6975266230934835
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.17955369513196548
+O[C@@H](c1ccccc1)[C@H](N)C,0.3366009885780641
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.8834972497171636
+OC1CC[N+](CC1)(C)C.[Cl-],0.21438853253648132
+Cc1cc(nc(n1)O)C1CC1,0.3204138878711756
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.4151394146800005
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.7258280650973123
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.4412960827423916
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.7625127851871634
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.6529791322461084
+CNC1Cc2cccc3c2c(C1)ccc3,0.858145310296606
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.3506096104888868
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.6582837981108247
+COc1ccc(cc1N)NOS(=O)(=O)O,0.3212743954656821
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.6879897215193833
+Oc1ccc(nn1)O,0.2879731141426937
+Nc1ccc(c(c1)C)N,0.841433282109723
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.31833150641848484
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8776085221090457
+CCCCCC(=O)OCC=C,0.13133810344694952
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.5473481763555392
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5122480641327399
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.7776471045691074
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.8942966562025969
+CC(C(CBr)Br)Cl,0.8222010523002939
+Brc1cc2cccnc2c(c1)C(=O)O,0.29392342119801124
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.6854159478453038
+CCS(=O)CCSP(=O)(OC)OC,0.48933394954532466
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.8225343101844809
+CN(N=O)C[C@@H](CO)O,0.6895521109435913
+ON1CN(Cl)CN(C1)Cl.[K+],0.3157743007378253
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.12653504767416235
+C=CC(=O)OCCOCCOC(=O)C=C,0.2687971908820764
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9212124263087996
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9009218835782201
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9178237644684071
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.6329453386524857
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9023694992141883
+CCc1ccnc2c1cccc2,0.5877040996518108
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.1888463843763418
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.33451183741978946
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.4090954116788567
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.2730838501315584
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.4109205826394803
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.6461692563751604
+CC(=O)/C=C/c1ccccc1,0.48439718369307705
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.889655632739204
+ClCc1ccc(cc1)[N+](=O)[O-],0.767258680354014
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.7109416113810552
+C[C@H](CN(C[C@H](O)C)N=O)O,0.6045573715442208
+CCCCCON=O,0.7344847465443657
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.588712138904947
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.7852057233561992
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9101529886234281
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.1674022106286879
+Cc1ccc(c(c1)N)O,0.6278299881534984
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.25710744922858225
+COC(=O)c1ccccc1CS(=O)(=O)N,0.19266165080227612
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8682798385669874
+Oc1ccc2c(c1)cccn2,0.40661339525291956
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.1524845434940133
+CNN=NC,0.764418676120205
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7416345664286202
+CCCC[C@H](COC(=O)C=C)CC,0.12361469154267873
+Cc1cccc2c1cccc2,0.3665050319367139
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9089381461757676
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.4268740687393694
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.8476150242378208
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.4834120902912375
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.896372586010627
+Clc1ccncc1,0.21743297244923082
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.14267737038770914
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.32733744909657597
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.4674374577071451
+[O-][N+](=O)OOC(=O)C,0.6077433623697317
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.4326148509235693
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.8615797830563028
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7619116983529189
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9099691978381832
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.6509496997481876
+CSC(/C=N/O)(C)C,0.31252347718347356
+CNc1ccc2c(c1N)nc(cn2)C,0.741284421893067
+CCOC(=O)NNc1nncc2c1cccc2,0.650955096361634
+O=c1c2ccccc2[nH]c2c1cccc2,0.6406396084618066
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.4588119065816267
+O=Nc1c(CC)cccc1CC,0.6184285087054286
+COC(C(Cl)Cl)(F)F,0.46195510770362325
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.720820818549441
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.8960371305245772
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.3559422557633334
+Br[C@@H](C=O)CBr,0.8499970805622418
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.15984740193103814
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.8278794457123007
+CSCNc1ccccc1OC,0.3594433607121509
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.8939357525695882
+CC(N)C,0.22573180460279685
+Cc1cnc(c(n1)C)C,0.3892950729868893
+CCCCCCN(C(=O)N)N=O,0.7935678423845599
+COc1cc(N)c(cc1N)C,0.6006393238650379
+CCCN(C(=O)SCC)CCC,0.22422013029556373
+COc1cc(/C=C/C(=O)O)ccc1O,0.24832436988347084
+CS(=O)C,0.3607498890771235
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.24471718405397094
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.15894181274195865
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.23870173078124518
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8749727203131425
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.14208658782508016
+Cc1cc(C)c(cc1C)C,0.17046549716102302
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.11764432147670449
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.286170822907434
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.6692474247040171
+CCOC(=O)OC(=O)OCC,0.29733221838444795
+C/C=C/Cl,0.6777233845695886
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.13176546616872917
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.3024351219066827
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.2764443902690142
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.8951210802281457
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.23879276436966143
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.8586008202411971
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.4817112193387613
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.08523922608775128
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.6579932232132507
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.592056750858997
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.19143970788698553
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.6943148629159219
+CN(C1CCCCC1)C,0.20943059793783722
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.2547446621909781
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.44014433658020446
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.7990226448147589
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8040935752866999
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9025597468748706
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.4650268626345819
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.8964040815423132
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.8243650877100019
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.6271291445875936
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.14189075766536763
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.8958683031175843
+Clc1ccc(cc1)CC1OC1,0.8145526552098107
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.2058758847036956
+Cn1c(N)nc2c1cc1ccccc1c2,0.8913106036432471
+Nc1ccc(cc1)c1ccc(cc1)N,0.8013242264195732
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.4468539791525646
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.4202346105864384
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.41352877688303635
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7544825468058174
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.2674481378724975
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.583650777988636
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.3159644829530683
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.6938643145007202
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.7633533488646524
+CCCC(=O)O,0.1969010082127837
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.6216193652967329
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.17790372267589072
+Nc1nc2c([nH]1)cccc2,0.4179940756302779
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.8724993545923384
+OC(=O)C(Cl)(Cl)C,0.44482852896907193
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9132766486673183
+N#C[Se]Cc1ccccc1,0.4657666984781049
+C[N+]1(C)CCCCC1.[Cl-],0.17760487220299215
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8148610541108292
+CC(=O)C(=C)C,0.3443430825946988
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.8157743285741241
+c1ccc2c(n1)c1ncccc1cc2,0.7952971493258264
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.3827994070668821
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5232671647324197
+O=CN(N=O)C,0.7637940638288628
+NCCCCCCCCCCC(=O)O,0.12799750165355137
+CCCCBr,0.5573186722419781
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8150040955236341
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.28500502399144956
+Oc1ccc(cc1O)C(C)(C)C,0.20180911261784784
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.18205855286276773
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.8329705267648095
+COc1cc(OC)nc(n1)N,0.31855611348928636
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.2967683890154089
+OC(=O)c1cccc2c1nccc2,0.343450187153424
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8955029105494854
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.18205855286276773
+CCOC(=O)c1ccccc1C(=O)OCC,0.245255322738821
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.3317135188283945
+Nc1ccc(c2c1cccc2)N,0.8168545636031471
+Fc1cnc2c(c1)ccc1c2cccc1,0.8703336278690078
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.13176546616872917
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.14189075766536763
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.14214452465847593
+ClCc1ccc(cc1)Cl,0.2935515674039422
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7352089035675473
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.5202600982627243
+CC(=C)OC(=O)C,0.21991751695853767
+Oc1ccc(cc1N)S(=O)(=O)O,0.2073969529890906
+OC1CCN(CC1)N=O,0.8449258874596163
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6055687640952543
+NCCCN(C)C,0.25746939512122285
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9172858025569754
+CCCCN(N=O)CCCC,0.6920531738395838
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.5536082019498655
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.28039882164694135
+N[C@@H]1C[C@H]1c1ccccc1,0.5258895078092503
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.33383158815180136
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.5942852241574286
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.5990166607555674
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.1666127655755802
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.8796112080551551
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.8463468203930881
+[N-]=[N+]=CC(=O)NCC(=O)N,0.5977405333105348
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.2716863428474801
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.26911485846423666
+CC1(C)C2CCC3(C1C2)CO3,0.12621263181754297
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.11130830036050698
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.2789213738146186
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.21559707514491397
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.20205578358653817
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.2306771534106895
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.6116104394463122
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7792817071998518
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.8215181933914163
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.5762638209368485
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.6406466263697065
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.3162372022859002
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.42605288584944306
+OC(=O)c1cnccc1C(F)(F)F,0.16200768245299874
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8169821961680639
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.3130920737142635
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5270783599126485
+Oc1ccc(c(c1)C)Cl,0.2440488334253931
+ClCc1c2ccccc2c(c2c1cccc2)C,0.8691146163983566
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.5961324364721157
+C=C[C@H]1CO1,0.5261314077329896
+O=C=Nc1ccc(c(c1)N=C=O)C,0.5622119034293007
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.38046945014308425
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.5948899185155001
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9172295708862493
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.8864639186756308
+CCCCOCC(=O)O,0.23741587452038213
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.3545343823575091
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.3616802506783979
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9157917582749373
+CCCCCCCCCCSCn1cc[n+](c1)C,0.1482388603559934
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.15652619938592865
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.6016631703464564
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.132838237977713
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.1095856158291786
+Nc1cc(nn1C)C1CC1,0.468211095226985
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.08787842037251231
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.3192239934256842
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.2908064070603918
+O=c1ccc2c(o1)c1ccoc1cc2,0.5588337609931753
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.14109895174773426
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.10557077105244797
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.4693108729003262
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.11468843205796113
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5317765459595699
+NC(=O)N(c1ccccc1)c1ccccc1,0.300183436104068
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.8105241413751942
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8999750225063673
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.2808473059727775
+c1ccc2c(n1)cnnc2,0.23783988757883717
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9068453250971844
+Nc1nc(nc(n1)O)NC(C)(C)C,0.16790879707450643
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.824533437270929
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.11777929805526437
+Nc1ccc(cc1)F,0.35650362128645346
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.3448937216470195
+BrCc1ccccc1,0.22699972855177536
+Nc1cccc2c1nccc2,0.6942743523696155
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5033456556182645
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6685890800559442
+Cn1cccc1,0.1954501745198102
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.2429076278974817
+Cl/C=C(/C(Cl)Cl)\Cl,0.8394647476970258
+Fc1ccc2c(c1F)cccn2,0.6409073023401107
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.2660711844919939
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.2999605454340849
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.1431290587811282
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.14059847403064715
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.17669393095767905
+CCCCN=NC(OO)(C)C,0.6996245945720814
+CCOC(=O)N(C)C,0.32536397546680645
+CC1=CCC(CC1)C(O)(C)C,0.0875490055261695
+CCOC(=O)[C@H](Br)C,0.6467626971509571
+Fc1ccc2c(c1F)nccc2,0.5993231463987692
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.1722398967431758
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.7745871043059936
+CCNc1nc(NC(C)C)nc(n1)O,0.19378468624426248
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.1466957927014072
+Cc1ccccc1N.Cl,0.6408311108097359
+NC(=O)CI,0.5745724571457582
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.3537157801460229
+CCCCOCCO,0.2234292065192514
+CCCCN(CCCO)N=O,0.8658323449235998
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.10108126438413301
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.6686426589351318
+Nc1sc2c(n1)cc(c(c2)C)C,0.5801112777081628
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.21651419848444406
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.8440088701901689
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.7519320841885005
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.7102573838863337
+CCO[P@@](=O)(N(C)C)C#N,0.221400934754199
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.8496573823601202
+Nc1cccc(c1)O,0.276187227557211
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.8715510857669274
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.12612427562325745
+CC(OP(=O)(F)C)C,0.2419864222180084
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.16143220353884535
+O=CN(c1ccccc1)O,0.4558237250662903
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.5171286011795456
+NC(C(=O)O)CSCCCl,0.6174515078321149
+Oc1ccc2c(c1)OCO2,0.4076636088660047
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.11681772389232142
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.8961708807711072
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.10386003842905325
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.355162505524018
+C[C@@H]1CC[C@H](CC1)C(C)C,0.1006035206608258
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.2576645798910006
+ClC[C@H]1CO1,0.8512215192394228
+C1CCc2c(C1)cccc2,0.22951612576720054
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8220058722302601
+Oc1ccc2c(n1)cccc2,0.324710149861102
+CCc1ccccc1,0.13311392574394387
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.23872525741813336
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.18143521568451162
+Fc1cnc2c(c1)c1ncccc1cc2,0.7839989697582566
+Cc1cc(C)c2c(c1N)nsn2,0.6189708932623735
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.23405381991219212
+c1cc2cccc3c2c(c1)CC3,0.45837105372367526
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.3410472143717253
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.09967439429997153
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6499911679784693
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.139288659649534
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.0837802348471418
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.6810538818370137
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7343927438182468
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.6978110117437868
+ClC([C@H]1OC1)(Cl)Cl,0.7454166323386129
+ONc1cc(ccc1C)[N+](=O)[O-],0.8306097099185188
+CC(=C)C1CCC2(C(C1)O2)C,0.25648930947515997
+OCCN=N#N,0.7320642904465933
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.8681060566940108
+COC(=O)CC(=O)C,0.2942616529625626
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.7019048206204581
+NNS(=O)(=O)c1ccc(cc1)C,0.2845196314808728
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.8889931860110601
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.8686065769619012
+CCOC(=O)C=C,0.2924809385234928
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.5732345372675258
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8984122068045189
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.08374226989430045
+[O-][n+]1ncc2c(c1)cccc2,0.5015762278935575
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.8948862162686002
+ClCC(CBr)(Br)C,0.4669677587959439
+CCCCCNc1snc2c1cccc2,0.2909929110546642
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.2742432908866537
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.6400217733212133
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.4105659574704826
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8542495527039194
+CC/C=C/C=C/C=C/C=C/C=O,0.5336037938146878
+Clc1cccc2c1nccc2,0.6616651929641146
+CCCCCCCCCc1ccc(cc1)O,0.147145683960308
+Cc1ccccc1O,0.18843271058514252
+CNc1nc(C)c(c(n1)O)C,0.24209440359526382
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.8813494311426622
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.11633651546627796
+O=Nc1c(O)ccc2c1cccc2,0.6695920168546774
+Oc1ccc(c(c1)Cl)Cl,0.14010492069732677
+CNC(=O)Nc1ccc(cc1)Br,0.34076468456447173
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9299666524615532
+O=c1c2cccc3c2c2c1cccc2cc3,0.7188179184305026
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.76462924889241
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.09861414300357832
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.8757427438840696
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.13265807910909364
+Oc1cc(O)cc(c1)O.O.O,0.20593308739862348
+NC(=S)Nc1ccccc1,0.4381347971620537
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8304825461771819
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.6701468768080265
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.26683696611721125
+O=C(n1cncc1)n1cncc1,0.4140408455997044
+O=NN(Cc1ccc(cc1)C)C,0.7865997534597169
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.18073873690184133
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.39691895804613625
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.3348212944585004
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.3185731799925526
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.4024418588179591
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.5122506597010632
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.27065941162591417
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.8333730280013112
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8858406842411556
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.11578345089936033
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9293039086586325
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8220058722302601
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.1304848906685497
+Nc1cccc2c1cccc2,0.6319393619836294
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8937861198435472
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.23097364069695994
+CNCCCN1c2ccccc2CCc2c1cccc2,0.5170966143307425
+[O-][N+](=O)NC(=N)NC,0.3839483815171657
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.2873280468275066
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.42698570236654637
+O=NN(Cc1ccc(cc1)Br)C,0.7802337742048929
+ClCCNC(=O)N(CCCl)N=O,0.8109158910124639
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.17619560311780486
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.14366429578765635
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.4530946202772158
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.1018543852264214
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8639864851768009
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.20677305312537422
+[O-][N+](=O)CCC(=O)O,0.40593295290660614
+NN1C(=O)c2c(C1=O)cccc2,0.4808542632137242
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.3228699286712079
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.3036933899571142
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.6312623983738849
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.4848737586788264
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.22597877256190835
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.5890046058204274
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8515822135967372
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.7648565274999091
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.246857422281409
+ONS(=O)(=O)c1cccc2c1nccc2,0.30782755933605566
+O=NN(C(=O)N)C[Si](C)(C)C,0.5069278514370954
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.7155990918666514
+Cc1cc2ncccc2c2c1n(C)cn2,0.8465811000916673
+C=C1CC(=O)O1,0.48272149089415517
+Cc1ccc(cc1)C(O)(C)C,0.13850183978751782
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8157512025492544
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.64685471898363
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.8897225225883133
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.8412752848422921
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.685672163503238
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8128367512935046
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.4010068292889254
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.6387677446833361
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.15151148140911716
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.360491424761069
+O=Nc1[nH]cnc1c1ccccc1,0.7853427541777325
+O=Nc1ccc(cc1)Nc1ccccc1,0.7603611890629554
+COc1ccc2c(c1)oc(=O)cc2CBr,0.408019260299088
+OCN=N,0.5573341542519471
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.1350789138746581
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.1654965686347309
+c1ccc(nc1)c1ccccn1,0.5597570010320543
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.820518605780788
+Clc1nncc2c1cccc2,0.3497075479677989
+NCCNc1cccc2c1cccc2,0.634416221375295
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.780197840083732
+OC(=O)c1ccc(c2c1snn2)O,0.3709887141933117
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.6787267440351336
+COS(=O)(=O)OC,0.4661337434215596
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9175063543109259
+C[C@H](COC[C@H](O)C)O,0.1890941160994586
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.11672053307898315
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.19037204869632643
+[O-][N+](=O)[CH-]CCCC,0.45766277670192174
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.4175025165215066
+CNC(=O)Nc1ccccc1,0.28737256087502994
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.7557606488662568
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.21455930162132728
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.33315067207163856
+NC(=O)[C@H]1CO1,0.7319034658536911
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.1847825951102606
+CCCCCCCCCC,0.11709480846772384
+OC(=O)CI,0.5761795343337334
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.9064819400653749
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.3450340433090175
+CC1CS1,0.3741651970056572
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.829115519777946
+BrCC(=O)Nc1ccccc1,0.4846701252866636
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.8134551701278853
+OO[C@@H]1CCCc2c1cccc2,0.5451508546322278
+Oc1nc(Cl)nc(n1)Cl,0.28955505265506215
+N#CCCCCC#N,0.3769089813858107
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.2339362133183931
+CCOc1cccc(c1)N,0.4760982349853127
+SCc1ccccc1,0.22352634221811551
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.2061525328714739
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.6246590521569195
+CCCCCCCCCCCCO,0.08878630383736615
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.3781299208511272
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.09724089319478492
+OC(=O)C1OC1C(=O)O,0.40829636141384895
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.4835632658588974
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8922413251555255
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.1439121834515734
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.31573079868095044
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.41760464658152985
+CCOc1cccc(c1)[N+](=O)[O-],0.7755923157097954
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.20308900423915666
+COC(=O)C(Cl)C,0.5421756803813593
+COC(=O)c1ccc(cc1)O,0.21009473908017814
+CC(Nc1nc(O)nc(n1)O)(C)C,0.15897412281307577
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.7867399731337051
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9092773467477987
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.44076209783794146
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.6433092544944983
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.17345346862860747
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.12427186741784725
+CCOC(C)(C)C,0.16990540444825183
+ONc1ccc(cc1)C(=O)C,0.5456914048731192
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.37946080589185255
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9047869843596144
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.1350399891158948
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.8186384626523491
+CCCCCCCCCCCC(=O)NCCO,0.13523621443537764
+Cc1cccnc1,0.16997390733733359
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.1771908095795105
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.7848181486480329
+Cc1ccc(cc1)O,0.24829588213177134
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.3753083633752132
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9222693795241416
+CCOCC,0.2521488151092071
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8192216702194313
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.1105461604266798
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.22291479883632945
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7195632373898421
+c1ccc(cc1)Oc1ccccc1,0.3118144961597465
+ClCC(CCl)Cl,0.7912042468278111
+CC1CCc2c(C1)occ2C,0.3170066626728954
+CC(=O)CCC(=O)C,0.2997906025076419
+c1ccccc1,0.19311573897820147
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.9217966357861351
+Nc1ccc(c(c1)O)C,0.5648793944867293
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.8275067214356719
+NC(=O)N=NC(=O)N,0.5716862559739608
+COc1nncc2c1ccnc2,0.5772740129991868
+CCCOC(=O)c1ccc(cc1)O,0.19600219517483553
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.25228270084518
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.25319971219486015
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.14829705575756497
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.8599238440108624
+NNc1nncc2c1cncc2,0.7520034159780115
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.2825695845880916
+O=C1C=CC(=NC(=O)C)C=C1,0.2659094376422637
+O=C(c1ccccc1)C(=O)C,0.32675819612934265
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.8797994920638748
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.7657316686152262
+CCOC(=O)C(C(=O)C)Cl,0.3094737104515038
+CCOC(=O)C(=C)C#N,0.3189442917028716
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.3897911540912728
+C1OCCO1,0.32190462160063843
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.37192763040622673
+CCN=[N+](CC)[O-],0.4902886240249766
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.1826879029923947
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.48989254355396733
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.8019211907052612
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.32459885020082374
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.41856501444899447
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.17583169683178532
+NCCO,0.348705245599306
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.25475769109903085
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7603586583679111
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.20791030231478186
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.3921381869668254
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.8692008932498495
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.16014302143579062
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.507991362833513
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.7260008900681968
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.32695955291195733
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.12067328490334119
+OCC(CBr)(CBr)CO,0.49466398577789517
+CCCC[C@H](C=O)CC,0.12599609985998322
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.40508400789332993
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.32583061282294407
+Cc1cccc(c1)C(=O)Cl,0.3171164999106272
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.7387954460897826
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.1577677813549968
+CC([N+](=O)[O-])(Cl)Cl,0.6800754084458357
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8119575546031331
+O=NN(CC(=O)C)CC(=O)C,0.7472038569520698
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.5184569150627512
+NNc1ccccc1.Cl,0.6708632339071664
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.13248733833399604
+Cc1cc(C)nc(n1)N,0.22080021218091525
+COC[C@H]1CO1,0.7271603704445927
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.3645283803008055
+ClCCCN(C)C,0.40607670957613845
+COc1cc(N)ccc1C,0.4899833025838071
+CCC/C=N\O,0.6779595392105219
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.6295314778192626
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.15041365273352714
+O=CC1=CCC(CC1)C(=C)C,0.1459371483441496
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.8794190722125419
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9071835597680639
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.7756653140790449
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.49714541624835
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.16571553360880772
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.34107481011811636
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5602423494901305
+CN(N=Nc1ccc(cc1)Cl)C,0.8532652017281387
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.5836196756662622
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.10041214492153949
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9267382800325945
+O1CCOCCOc2c(OCCOCC1)cccc2,0.30573578065319834
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.1799999842972226
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.39232959615533874
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.6205344651589718
+O=NN1CCC[C@@H](C1)Cl,0.8672032532869486
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6256295365094791
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.29545456645524315
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.3759889653765363
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8772152827460069
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.593033682679292
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.17942549200289842
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.7720508647994268
+Nc1cnc2c(c1C)nc1n2cccc1C,0.8780308500990929
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.20727697293097705
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.7457977665330608
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8780922959187412
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9199802334964636
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.1422669796379432
+O=Cc1c2ccccc2cc2c1cccc2,0.7820630927631186
+C[C@H](c1ccccc1)O,0.1553062050117628
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.795883731007117
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8761530930017051
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.3384630832804789
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.6280403615923283
+Cc1ccc(cc1)OC[C@@H]1OC1,0.8182904404122656
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.08262138253522781
+COc1cccc(c1O)C=O,0.2968192919007237
+Nc1ccccc1.Cl,0.19449219938946005
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.5453562119068286
+O=CC=C(Cl)Cl,0.7437182235461286
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9002557327816765
+OC/C=C(\CCC=C(C)C)/C,0.08815372598244624
+CC(=O)OC(=O)C,0.2727366046423408
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.41401958203459127
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.2141262380878342
+COS(=O)(=O)C,0.46982776138458865
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.37335518445241295
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.15154512256422575
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8655532939868047
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.21394593015286872
+N[C@@H](C(=O)O)CS,0.3053471052945621
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.35050558233139795
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.4216577069086352
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.10841017304390564
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.5949192127592111
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.19226944439792024
+O=Cc1ccco1,0.33920794211666355
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.2567253173607196
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.4226465507205197
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.300204090264752
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.2164658190965828
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8900953021566239
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.30675356171848417
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.623388378390462
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.5542383311331545
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.12244626767938321
+CC(c1ccccc1)N(C)C,0.17767967968816623
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.6446858882687602
+COc1ccc(cc1)O,0.4405600201835543
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.4073178693154587
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.4220317655924933
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.1350760945794869
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.883505890288681
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.14102406325897482
+[O-][N+](=O)c1cccc2c1cccc2,0.8245010165730201
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.16882125922245705
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.41518446576834817
+CNC[C@H](c1cccc(c1)O)O,0.17855310364636373
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8366980005206959
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.8347794883469305
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.8525207827141069
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9118440405675832
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8956562160048925
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.8701790303391675
+[O-][N+](=O)c1ccccc1C(=O)C,0.7286143598651388
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.29717501077411873
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.09925415133162377
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.2010652810012291
+Fc1c[nH]c(=O)[nH]c1=O,0.3782912450361672
+OCC[C@H](CCC=C(C)C)C,0.0821487316089405
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.16411651929565665
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.5984847036304582
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.9084667948644753
+[O-][n+]1cccc2c1c(O)ccc2,0.5978400154634642
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.22153054201378736
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.8312746156482991
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.8764572433901578
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6034253952009796
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.5872757118718898
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9102700095363536
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.09392162617899892
+CC(=O)ON(c1ccccc1C)C(=O)C,0.5479817157401228
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.6981535987972383
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.4393377923581665
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.8470318142409062
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9030556948865086
+Nc1cccc2c1nc1ccccc1n2,0.8545823715872405
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.731661948554409
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.695629577949323
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7723704649796622
+ClCc1ccccn1,0.4096749237612302
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.2467267727189235
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8875887636996952
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.7965867481293312
+CCCCN(CCCC)N,0.18986206931710026
+CCC(Nc1snc2c1cccc2)C,0.25484609127831614
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.36483024575421263
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.24962003771879016
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.26719184577911276
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.6268303727527258
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.20677305312537422
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.8829752327039387
+Nc1c2ccccc2cc2c1cccc2,0.8497351364555487
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.22258425513987304
+C=CCc1ccc(c(c1)OC)O,0.21588524733448414
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.5310779684728058
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9078767507483902
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.4096816682285794
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.806727480571377
+Clc1ccccc1S(=O)(=O)N,0.23010357020528574
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.8752508019080536
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.9067689731038703
+O=Nc1ccccc1c1ccccc1,0.7186947718241998
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.6253411853746176
+COC(=O)c1ccccc1O,0.23304784186900845
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.5439950777089518
+CNC(=O)Oc1cccc2c1cccc2,0.5440967379951793
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.6547743973376013
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.1018543852264214
+Oc1ccc2c(c1)cccc2,0.4391804505107457
+ON1C(C)(C)CCCC1(C)C,0.1997742649770106
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8663948712457235
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.1856390415270922
+Nc1ccc2c(c1)scn2,0.5055723896900377
+ONc1ccc(cc1)N=O,0.7637105876304706
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.31476848643260585
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.795056170191977
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.33410106561759945
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9311450986528187
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.14409611534985695
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.8326424211094379
+BrCc1ccc(cc1)[N+](=O)[O-],0.6855698110028483
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8877527993411655
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.8453141679261769
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.7557758726158024
+ClCCN(CCCl)CCCl,0.6401822125693447
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8211688057346613
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.44076209783794146
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.8314976795132863
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.764755461544628
+CCCCC#N,0.2371251974424183
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.6079830760078
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7744299627020584
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.17901113864981114
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9120012801556762
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9094709108928611
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9000485838797647
+CCCC[C@H](CO)CC,0.09341721127908488
+CC(=CCC1CCCC1=O)C,0.1792056245240325
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8975075594351949
+ONc1c(C)cccc1C,0.6661206754322045
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.1224216635109795
+COC(=O)c1ccco1,0.3821196085327156
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.49918096864305417
+OCC12OOC2(C)c2c(O1)cccc2,0.5149985224641143
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.17134749794353202
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.15811402504104183
+O1CCOCCOCCOCC1,0.23322260615189028
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.09424041718880631
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.7826055177257498
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.2795825162461076
+OC1=CC(=O)C1=O.[Na+],0.2888776127020016
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.6493206229329301
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.16375761636297032
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.7438406693538343
+O=c1ccc(c[nH]1)C(F)(F)F,0.25164662898048995
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.7672742310264371
+C[C@H](COC(C)(C)C)O,0.160530004250629
+CC(CCOC(=O)CC(C)C)C,0.13335074673620634
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.15661206789934284
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.24265165862557656
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.7364204016509562
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.8409727766760643
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.18776335300296923
+Sc1nc2c([nH]1)cccc2,0.3932293593441945
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.9177818142173553
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9132889887442784
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.152267253928194
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.18286946547268534
+COC(=O)CCCCC(=O)OC,0.27218431905681306
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.11866899580554317
+CONC(=O)Nc1ccc(cc1)Br,0.39872975832273594
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.905770821083983
+Nc1cnc2c(c1)cccc2,0.6893693461692805
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9012189863730539
+ClCCN(P(=O)(O)N)CCCl,0.6594617006491675
+ClCCN[P@]1(=O)OCCCN1CCCl,0.6681492924574394
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7583778700438287
+ClCc1cccc(c1)[N+](=O)[O-],0.608633398527891
+C[C@H](C(=O)Nc1ccccc1)Br,0.6401934376284895
+NC(=O)Nc1ccc(cc1)Br,0.3449495772343602
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.5131771922763404
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8851146615374438
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.2623598973552306
+ClCC1=C(Cl)C(=O)OC1,0.8285351506868291
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.6119296358027095
+CCc1ccc(cc1)C,0.1621947483684076
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.17815555821115595
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.17678083664423108
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.6464268631711784
+Nc1cc2cccc3c2c2c1cccc2cc3,0.8957793572384478
+O1CC1Oc1ccccc1,0.5975424479852977
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.2664827544151117
+Clc1ccc(cc1)CNC1CCCC1,0.3244079598716533
+O=Cc1ccc2-c1cocc2COC(=O)C,0.5127053979456528
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.20273639512669864
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9225986030129336
+S=c1ssc(c1C)c1cnccn1,0.4216892793838564
+CCC(=O)C(=O)C,0.3342755993715823
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9023388033093143
+Oc1ccc(cc1)Cl,0.17139582942587056
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.45770815149075167
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.23972828287142692
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.1862589874100319
+Oc1ccccc1c1nc2c(o1)cccc2,0.4801104923980138
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.16430421106629503
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.8819458218851165
+COc1cc(F)ccc1[N+](=O)[O-],0.6337995498459627
+CCCCOCCCC,0.15671826661222668
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.7393466645417627
+OC(=O)CC(=O)O,0.19570442196984514
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.11559440178325137
+Cc1ccc(o1)C,0.2577550745605434
+CCCCCCC=C,0.12538965125323664
+FC(C(F)(F)F)Cl,0.12074759332847187
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.11619557439911889
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.2015230076880756
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9059421361996839
+COc1ccc(ccc1=O)[N+](=O)[O-],0.7781210974412524
+c1ccc2c(c1)oc1c2cccc1,0.5776923417481498
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.10770178979713166
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.8606820150477302
+OCCOc1ccccc1,0.32438138430329005
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.1366306989698921
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.17327754030151016
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.14442844913154612
+S=C1SSC2=NCCN12,0.4748779415982161
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.5996864816413924
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9194061203199797
+Nc1ccc2c(c1)oc1c2cccc1,0.8448401026280128
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.1953040817305836
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.12322700369853429
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8604012856597133
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8636956017634585
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9072536355314457
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.7930222700086367
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.8432116829480186
+CNCCS(=O)(=O)O,0.3502136774427025
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.3978914062476315
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.0859686876583597
+N#N=NCc1ccccc1,0.7715993990203118
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.756050616602018
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6301043662445202
+OC(=O)C(CC(=O)O)CC(=O)O,0.1679073222086496
+CCn1c2ccc(cc2c2c1cccc2)N,0.8844151367172145
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.39088085159130154
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.704236653989113
+O=Cc1ccccc1[N+](=O)[O-],0.5888876248018973
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.9051088932082831
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.12322700369853429
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.6237589907805505
+NC(=N)S(=O)O,0.2928578760495403
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.14347958933353241
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.19172568871125029
+NC(=O)C[C@H]1CO1,0.6075930507043242
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.307655722653043
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.29064370719301835
+Clc1cccc(c1)C(=O)Cl,0.375819348785523
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8854199371021441
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.39889345918603714
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.6696151427150941
+CC(OC[C@@H]1OC1)(C)C,0.5429527483111577
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.6691008668817336
+NCCNCCNCCNCCN,0.31019135100475703
+N#CSCSC#N,0.4046000721779152
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.14059847403064715
+CCNc1cccc(c1)O,0.3052085273012151
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.17366010409117705
+O=NN(c1ccccn1)C,0.5737282339700618
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.2719824904604087
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.4279375494966538
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.8027149493060018
+OCCBr,0.7747192279490145
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9217957649780659
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.3663793896069122
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.5256374624540541
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8181362987907322
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.18679773410901393
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.303385536893109
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.4216101138263639
+Nc1cccc2c1-c1ccccc1C2,0.8296788079560551
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.7154896131898555
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.23075389289081083
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.1638505811252583
+N=C(Nc1ccccc1)Nc1ccccc1,0.31639774463905906
+[O-][N+](=O)c1ccccc1Cl,0.473546418868487
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.28469816388061053
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.6913674084245579
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9137585891453422
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.4416568876564628
+O=C1C=C(O)C(=O)c2c1cccc2,0.4183130235019098
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.7600129392955834
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.8217792463552883
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.12135401462833238
+CCCCN(C[C@@H](CC)O)N=O,0.7603720212859287
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.10390984007918283
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.5960044302219475
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.7600878683744379
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8536326490657845
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.22343664054617937
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8981396389161691
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.1515644120369732
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.6353192787730831
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.09410511121295786
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.09390949853494665
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.17046264525602528
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.11456684196484351
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.8124244858857583
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.8542975645136067
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.5024984699838477
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.13900071447367274
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.46995082831190327
+OCCC#N,0.3720571268422966
+CCOc1ccc(cc1)NO,0.5703650244240186
+S=P(N1CC1)(N1CC1)N1CC1,0.4549239889456564
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.4413054215319713
+Nc1ccc(cc1)Cl.Cl,0.3469644794516236
+N#CC(O)(C)C,0.28172822587347907
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.8940022001376141
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9170923063927146
+BrCC1=C(Br)C(=O)OC1O,0.8030502117442648
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8072148730622127
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.6817678456663055
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9129322067860266
+O=C(C(F)(F)F)C(F)(F)F,0.20362369095172314
+OCC(CBr)(Br)C,0.5224628372947284
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.7050789117094254
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.12024950909989152
+CC(=O)/C=C/c1ccco1,0.3541404023265562
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.49735268594114795
+Cc1cc(C)cc(c1)N,0.2397528322290388
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.5492762234399681
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.41312086249468666
+CC(c1ccccc1)CCN=N#N,0.7300830478999463
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9288431617483757
+C1CCSCS1,0.3893638290993566
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7873097685508023
+COc1ccc2c(c1)C1CCCCC1C=C2,0.5380590552070919
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.18884469462563488
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.7390790330025719
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6629608626448759
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.32218718426198967
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.44423996986952435
+CCC12OC2O1,0.7003371292419592
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.11766221068146326
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.8319812758505231
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.2987932477802809
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.24719492671864035
+ClC(=O)c1ccccc1C,0.2788714536078967
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.8665042536590174
+NC(=O)N,0.2190255545194542
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.15706789390186393
+COc1ccc(cc1)C1OC1C,0.7241681886620245
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.21238485517279101
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8974078358259693
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.5389625228034388
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.8240116030165228
+CSc1ccc(cc1)Cl,0.3046870815597836
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.48854081234928654
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.566540898204993
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7967237294801354
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.1800954577594362
+N[C@H](C(=O)O)CSCCCl,0.6174515078321149
+Clc1ccc2c(n1)cccc2,0.4560323874017414
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.8845040910748209
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.9187956531480962
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.13877896084807914
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.8952683316984583
+CCSCCOP(=S)(OCC)OCC,0.20761490060797
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.31098919274449593
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.8329651633275187
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.26070303919191956
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.7074448747237271
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.467619491268445
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.144797913956499
+Nc1ccc(cc1)c1ccccc1C,0.8242761639834584
+COc1ccc(cc1C(C)(C)C)O,0.17941223522042324
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.1096186875318002
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5699321335521986
+Oc1[nH]nc2c1cccc2,0.34469299185962715
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.5179511340606524
+O=Cc1cccc(c1)c1ccccc1,0.5765140110898374
+O1C2C1C1N=NC2C2C1O2,0.5358367878163582
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.0920213880917739
+FC(C(Cl)(Cl)F)(Cl)Cl,0.190770432966963
+BrCC(Br)(Br)Br,0.2670719461471412
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.7254300239742019
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8967439448046446
+NC(=O)N/N=C/C(=O)O,0.4794907220570235
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.8618275755045196
+[O-][N+](=O)c1ccccc1Br,0.5022382590707615
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.115191067520478
+CCN(C(=O)N(C)C)N=O,0.8295891706057025
+CC[N+](=NC)[O-],0.5676709860441361
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.20821837648452787
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.23370782194363096
+OC(C(Cl)(Cl)Cl)O,0.5041772493533864
+OC[C@@H](CI)O,0.7081024665092233
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.8500907553824616
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.8195337973253627
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.4618727878397831
+CNP(=S)(N1CC1)N1CC1,0.4525458061982916
+CC(N(C(C)C)N)C,0.1708232759173585
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.15732069278720343
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.8458079389262149
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9073625632488456
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8703885777034414
+O=C/C=C(\CCC=C(C)C)/C,0.1817123370889955
+CC(=O)Nc1ccc(cc1)C,0.2481697044568711
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.23095532819015346
+Nc1ccccc1N,0.6268238651752046
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.10798714326090432
+OCCN1CC1,0.5301066691630367
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.12678343344047183
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.8623400933456482
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8310131812845882
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.7746223414831751
+[O-][n+]1ncc2c(c1)cccn2,0.4558024781887076
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.7340441969195778
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.4010823372045751
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.6578469722677577
+c1cnc2c(c1)C1OC1CC2,0.35234333296386167
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.3000703202133552
+CC(=O)CC(O)(C)C,0.15883256403825832
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.7706195159406485
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9249200207930586
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7344745145452486
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.25855348370218073
+CC[Si](CC)(Cl)Cl,0.3084076487645152
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.8772240699786332
+Nc1ccc(cc1)S(=O)(=O)O,0.17346866184490672
+[N-]=[N+]=NCCC(C(=O)O)N,0.7693848829747814
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.828561671693785
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.791654315230226
+C1CCC2C(C1)c1ccccc1C1C2O1,0.4847147090131492
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.16065032593771572
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.6140762165267859
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.5214095976752351
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.4011921815807051
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.10368822520647474
+CNS(=O)(=O)c1ccc(cc1)N,0.30038082386572773
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7985927375668365
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.17308126082206626
+CN(N=O)CCCC,0.8127094472915116
+O=C1C=Cc2c3c1cccc3ccc2,0.7588335700047277
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.7676686976175299
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.10841591651904897
+CC(=O)OCCOCCOCCOC(=O)C,0.2881473997202678
+Oc1ncnc(c1)O,0.25704741908612505
+CCCOS(=O)(=O)C,0.607891723454428
+OCCCCl,0.739498330367429
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.5046031463200082
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.24329607315638754
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9058973821374959
+OCc1ccc(cc1)O,0.3037455212178645
+CCOc1ccc(cc1)N,0.4361251585507779
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.6388015004763513
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.8269420784467322
+ClCCOCCCl,0.6666536720092616
+c1ccc2c(n1)c1[nH]ccc1cc2,0.6788272415692133
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.4114991846093798
+CC(=O)c1ccncc1,0.2524379288909165
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.15674357978429665
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.7880081429352332
+CC(NC(C)C)C,0.16378513557933252
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.7958541380061339
+O=C1CCCCC1,0.2587699142263752
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.21722897262996693
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.3680169782552229
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.6060231276587611
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9144167559785749
+OCc1ccc(cc1N)[N+](=O)[O-],0.7958936995713034
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.2571801955999142
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7213067469505834
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.38050183722085157
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.2121056831014077
+CCSC(=O)N1CCCCCC1,0.2837066330064621
+CCOP(=S)(OCC(C)C)SCCl,0.4005968817132251
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.887059328632113
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.4929446772480328
+COc1cc(Cl)nnc1c1ccccc1,0.5483613889437414
+ClC(C(=O)C)Cl,0.8040494630174546
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.2829799084736098
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.1662936070552875
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.8859725290292592
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.3400482311843987
+OC1CCCCC1,0.15241614859423566
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9155930346483724
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.8443353486842945
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.19740050431646575
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.8967928585446522
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.7818417854686456
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8859360684683558
+N#N=NC(c1ccccc1)c1ccccc1,0.603447277660023
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.6752134759796441
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8945415163172259
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.268404095619211
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.6859950872781913
+O=C(c1ccccc1O)OCc1ccccc1,0.25899481234182997
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.6708494390828341
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.865352206249068
+Cc1cccc(c1)Br,0.1856503576811911
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.5084363687341666
+O=S1(=O)CCCC1,0.43310687453351493
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.8773693699430974
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9114783238135432
+OC(=O)c1ccc(c(c1)Cl)Cl,0.14811686552816616
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8776525993738312
+OCCO,0.35245870946473673
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9275633240599915
+NCC(=O)Nc1ccccc1,0.6012192160117851
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.2057448688609931
+Nc1cccc(c1)N,0.346693379610533
+CCOCCOC(=O)C,0.29993135164846235
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.8885352199931715
+OCC(CO)(C)C,0.22981357021571747
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.741062317165731
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.17558276819071808
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.2906338351156906
+NC(C(=O)O)CN=N#N,0.6406906302103237
+Cc1cnccn1,0.23930330323815444
+Cc1ccc2c(-c3ccccc3C2C)c1,0.8261251036732518
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.2728891176323052
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.3054138760158162
+COc1ccc(cc1)C=C,0.3647931140645437
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.21346889878886793
+[O-][N+](=O)CC,0.5128527431001878
+CNC(=O)ON=C(SC)C,0.5616617428034877
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.5714794893320932
+CCOC(=O)[C@@H](C(=O)C)Cl,0.31410243542479194
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9223948027959926
+c1ccc2c(c1)cc1c(c2)cccc1,0.5906284264232529
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.7699933870439781
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9054518123825359
+BrC(C(Br)Br)Br,0.42057993985466674
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.7967173216872074
+OC(=O)c1ccco1,0.3768406791118194
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.906267323710146
+CC(S(=O)(=O)Cl)C,0.5547945785669988
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.10509835170760916
+COC(=O)C12OC2(C)C(OC1=O)C,0.6841736125843779
+O[C@@H]1OC(=O)C(=C1C)Cl,0.6701207097000206
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.7935598573375289
+COc1cc(ccc1O)C(=O)C,0.27597919782284275
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.27058039252822963
+CO[C@@H]1OC1(C)C,0.5647830994861347
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.23396407402643093
+OC(=O)c1cc(O)c(c(c1)O)O,0.32717638314893976
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.26492840529243195
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.23207572347092753
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.4310419559913437
+CN(/N=N/c1ccc(cc1)Br)C,0.7998288844906211
+O1C=CC2C(C=C1)O2,0.5164116008705162
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.130024160343387
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.6782817047570291
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9184952658372794
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.16877994986118813
+O=C1C=C(C)C(=O)c2c1cccc2,0.49342226974765324
+O=Cc1cccc2c1nccc2,0.6084275191547498
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.7571017240969746
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8633428844367473
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.5917027016041355
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8069671253600097
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.5527511476873752
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.6632945845335273
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.2353835731267453
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9006197588489114
+COc1ccc(c(c1)C)N,0.6375375505624065
+Cc1nnc(c(=O)n1N)c1ccccc1,0.6234254837327646
+OC1OC(=O)C(=C1Cl)Cl,0.7181333489896067
+NC1CCCC(C1)N,0.15514509246130312
+C/C=C(\C=O)/Cl,0.7060113630681663
+COc1ccc(cc1N)N,0.7700258284378454
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.7751004234802534
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7908567770148935
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9179195041734333
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.11652989877390174
+OCC#C,0.3807229248031585
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.7965521326319158
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8652115055737665
+CCCCCCCCSCN1C=CN(C1)C,0.3033858531644435
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7444704304795252
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.09761148842771286
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.1446317767023754
+NC(C(=O)O)C(C)C,0.23208064494547623
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.7895494651485742
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7622316399098674
+OC(=O)CCC(=O)O.[Na+],0.10107499308127701
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.47713152097414485
+C1=C[C@@H]2[C@H](C=C1)O2,0.4400716593968237
+COC(=O)C(=C)Cl,0.5102952898757355
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.2815791462019971
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.7120225571236755
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.5939900492684415
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.35328095959320516
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.2446764806193504
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5651600266136668
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7131145969292144
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.6716057071646532
+CCN(c1ccc(cc1)[N+]#N)CC,0.6086845025264135
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.5031140492158047
+CCN(C(=O)N)N=O,0.7002940489770844
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.7505535580873514
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.19733083795869896
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.12823322274262602
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.6904590402053691
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8503148277517792
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.4898376618509448
+O=Cc1ccc(cc1)N,0.40784947024052715
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.5939266932512062
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.14268680038225148
+ClCc1ccc(cc1)CCl,0.3287597348190098
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.41627812412149173
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.12888794188880376
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8044651711463006
+Oc1ccc2c(c1)cccc2O,0.42819096239361487
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5050289280769406
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.5054634644256086
+Oc1cccc2c1nccc2,0.5504249684754948
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.7362447034692288
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.49546763434671953
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8628417441767413
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.2929300165812395
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.7982920812364896
+OCCOCCO,0.3212836725458387
+O=NN(c1ccccc1)O,0.6301057432422255
+Cc1ccc(cc1NCC)O,0.30659343267574773
+Nc1scc(n1)c1ccccc1,0.6104366499488616
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9070143515429324
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.2659888077537036
+OCCCNP(=O)(N(CCCl)CCCl)O,0.7877288894937952
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.5702874433366693
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.6765571527549418
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.4597674477648623
+O=CC1=CCCC2(C1(C=O)C2)C,0.3566209304337688
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.1714547720095787
+FC(c1ccc(cc1)Cl)(F)F,0.22441458959272612
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.31969488518312517
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.583248796470903
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.1646744363939965
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.3388086016122954
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.18625959147314425
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.12739258725350083
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.16742532101408425
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6988705179693953
+Cc1cc(C)nc(n1)Nc1ccccc1,0.43976522463673434
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.17209214518528623
+Cc1cccs1,0.2267215942381676
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.2595349749381806
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.7344756972700891
+C[C@H]1CCOS(=O)(=O)O1,0.570344900084567
+CCCCOC(=O)c1ccc(cc1)N,0.24457192138498318
+Clc1cccnc1,0.3091882275184692
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6872073233835994
+O=NN1CCC(=O)NC1=O,0.7689405990249244
+Nc1ccccc1c1ccccc1,0.7929928664127815
+O=C1C=CC(=N#N)C=C1,0.5804553074508662
+COP(=O)OC,0.37360380121318043
+OCC12OOC2(CO)Oc2c1cccc2,0.4264301012139653
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.8748630449495917
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.790331250785375
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.28015936228582816
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.33145810319416263
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.5601284153121966
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.5970325535746931
+COC1=CC=CC=CC1,0.3566143486497695
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9078310036966557
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.09590901257256332
+CN(P(=O)(N(C)C)N(C)C)C,0.3637433370195128
+O=NN(C(=O)c1c(NC)ncn1C)C,0.5006844110372454
+FC(C(F)(F)F)F,0.12719795793247377
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.3349003198681568
+c1ccc2c(c1)ccc1c2cccn1,0.875272901472273
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.8386286690479837
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.5982215890493374
+[O-][N+](=O)C1CCCC1,0.4676690183628798
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.8897991836389204
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.5260826667941891
+Cc1ccc(c2c1ccc1c2cccc1)C,0.8807878207742177
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.88030002202174
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7126713641680754
+O=CN(c1cccc(c1)Cl)O,0.34427387217251987
+CC(NC(=O)Nc1ccccc1)C,0.18608231864347172
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.5132631334752583
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.2271929989988514
+ClCC(=O)CCl,0.7546107347634913
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.1941272625697261
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.28754373863346466
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.8082660236265965
+[O-][N+](=O)/C=C/c1ccccc1,0.7064073966128512
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.8474731432019469
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.52790861579377
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.3209631568523309
+CCc1cccc(c1NC(=O)C)CC,0.26638634323038046
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.23880720503161534
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.11493413757767704
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.424119657016007
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.6438378393019837
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.24369570464648133
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.7860519576090476
+Clc1ccc(c(c1)Cl)C(=O)O,0.13126871387657707
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.47565317964097364
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1626660435125564
+COc1ccc(cc1)C(C=C)O,0.22749538492946492
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.11964531491734376
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9122067875192638
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.23482079456906413
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8296773278649224
+CN1C=CN(C1/C=N/O)CCOCC#C,0.35653239223326055
+CCc1ccc(cc1)[N+](=O)[O-],0.8274490907126206
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.15403495472407785
+Nc1cccc(c1)S(=O)(=O)O,0.20355685262593545
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.5685273061392644
+CCCCO,0.21850757432628526
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.3897773884175495
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.14175994471054665
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.24784905241562152
+CC12OC1C1CCCCC1c1c2cccc1,0.4167048391891435
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.32100568815988906
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.19654358523346738
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9086422754731572
+Oc1ccccc1c1ccccc1,0.2461848481831649
+COc1ccc(c(c1)C(C)(C)C)O,0.1799299397677321
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.897727682703507
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9124372710349459
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9031812260414642
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.3226338387753089
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8775685835106962
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.08996802383934115
+Nc1ccc(cc1)Br,0.405972627159813
+CCCO,0.3125605021135939
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.26106674368504124
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.3203960153825428
+O=Cc1ccc(cc1)Cl,0.24682054829564373
+CC(=O)C,0.20195646905953535
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.8304919977306391
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.7867741650774436
+ClCC[N+](CCCl)(C)[O-].Cl,0.6237448897141061
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.2345618774310679
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.7616166902535579
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.7660549134555311
+Oc1nc(O)nc(c1)C(=O)O,0.200178700909939
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.16331939687499575
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.22774413407557462
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.720254425109666
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.44028135702088766
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8641017101396522
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.48532740539435526
+OCc1c(N)cccc1[N+](=O)[O-],0.7628077978278686
+CCNc1nc(N)nc(n1)Cl,0.20839619019017686
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.8743202710809808
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8872735896061339
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8786498878541231
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.205872608927728
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.5733184159849859
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8358442922683453
+OCCc1ccccc1[N+](=O)[O-],0.7280485510450758
+C=CC(=O)OCC(C)C,0.18967490833006748
+O=C/C=C\c1ccccc1,0.4097655417084102
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.1474208141942539
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.7446784798448335
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.8708365044334814
+O=NN1CCCC1,0.8230285750327084
+O1CCC2(CC1)CO2,0.5157053410252531
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9185709709970891
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.764495098962615
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.24649752175321762
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.17494980465866913
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.3115163011780919
+CCOc1ccccc1C(=O)N,0.28888767957710837
+O=Nc1ncn(c1c1ccccc1)C,0.7029404618211404
+NCN,0.2520098922627376
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.8974305605312002
+CNC(=O)Oc1cccc2c1cccc2,0.257838906061921
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.8130346228232943
+CN(C)C,0.27145205191400035
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.8953767875869055
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.6729684148244774
+OC(=O)COc1ccc(cc1)Cl,0.20383373090031545
+Clc1cccc(c1)Cl,0.13299859519385213
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.7265160777425151
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.44260109748882936
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.22494345825102885
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.46716746736007314
+CCCCCCOC(=O)C(=C)C,0.12412848022031253
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.5429900543682773
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.3046319283619345
+Nc1ncc2c(n1)nc[nH]2,0.42161754973817195
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9251583523371725
+OCC(CBr)(CBr)CBr,0.47997910717336617
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.39397402583628305
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.8279032146465265
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.5292909220513962
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.1467081841692691
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.22774357372671838
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.3578615762344783
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8910006787322319
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9159428393823736
+Cc1cccc2c1nccc2,0.5886550947317921
+CS(=O)(=O)O,0.2896244254413817
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.8234959171269525
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.5359528110140086
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.4560848608538399
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.08165127129996923
+CCCCN(CCCC)CCO,0.13548686211809363
+OC(=O)Cn1cncn1,0.33415256775736635
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.162043867045386
+CCS,0.3941357379404539
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.41412290241655075
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7823308521976108
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.8985531401623877
+Nc1[nH]ccc2-c1c1ccccc1n2,0.7937410479203598
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5091952957912945
+CNc1ccc(cc1)/N=N/c1ccccc1,0.7599968124578266
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7105784100528754
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.5537161017100211
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.8687305281203338
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.1018828683168991
+[O-][n+]1cccc2c1C1OC1C=C2,0.4575879723223483
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.1711423636643171
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.11945792790924617
+O=C/C=C(/CCC=C(C)C)\C,0.1817123370889955
+Nc1ccc(c(c1)Cl)C,0.3639209364649534
+O=CC[C@H](CCC=C(C)C)C,0.09955409188537769
+C1N2CN3CN1CN(C2)C3,0.33536076262418485
+CCN(C(=O)Cc1ccccc1)CC,0.21319594679946033
+CCN(CC)CC,0.22451256985600743
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.14244841511067863
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.3001891182368172
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.22676750406216198
+NC(C(=O)O)CSC(=O)NCCCl,0.7220665545524467
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8901847232045933
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8374529644973677
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.6425940149206278
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.3696531732117002
+Oc1ccc(c(c1Cl)Cl)Cl,0.1880321475501321
+OCCN(CCO)C,0.2877504392580839
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.7499424155536534
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.11698462850403292
+Fc1cc2cccnc2c2c1cccn2,0.78699416819489
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.26554927775570963
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.6170854332130462
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.1419237241893989
+NCc1ccc(cc1)CN,0.4814529099709408
+ONc1cccc(c1C)C,0.6985189824778117
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.8310000538304891
+Cc1ccccc1Cl,0.1798047044645868
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.1816865198378368
+Nc1cnc2c(c1)c1ccccc1cc2,0.9055706716064545
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.910304018332217
+Nc1cccc2c1cc1ccccc1n2,0.9117777504456458
+NN(Cc1ccccc1)Cc1ccccc1,0.48262256752151905
+COc1c2ccc(cc2nc2c1cco2)O,0.777233342578777
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.7475503020411811
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.8544862400204274
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.15561892226660629
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.13129434598492515
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.12483489243410625
+CN1CCOCC1,0.2829532864677227
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.1685765605597937
+OC(=O)COc1ccc(cc1Cl)Cl,0.09590901257256332
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.2994810275465621
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.14413028189426683
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.922854380920738
+c1ccc2c(c1)cccc2,0.2706352865292055
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.8953626160473035
+NNC(=O)c1ccncc1,0.455301769457398
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.62480791841137
+OCc1ccccc1[N+](=O)[O-],0.5640940691728901
+O1COCOC1,0.358591517368248
+[O-][N+](=O)CCO,0.4125923076309197
+ClCC(=O)NCc1ccccc1,0.587625895798374
+O=NN(Cc1cccc(c1)Br)C,0.7216051793931572
+OC1C=Cc2c(C1O)nccc2,0.2655020837016237
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.6982914488196409
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.5856807942157626
+COC1OC1(C)C,0.5647830994861347
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.873140547343221
+CC(=O)OCc1ccccc1,0.2399967187866551
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.6687671944263418
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.901568459719108
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.5676588131093308
+ONc1ccc(cc1)c1ccccc1,0.6919096498735812
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.27195807701955077
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.4428333352813537
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9223755790595854
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.257009964382866
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.33604265044717185
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.8670473376325687
+OC1OC(=O)C=C1CCl,0.7787332098337332
+CCC(=C)C=O,0.3252544319353157
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.8684753420462307
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.18195945965348911
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.30323262179129307
+COc1ccc2c(c1)nc(n2C)N,0.6819451611309766
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.1961504054723072
+CCCCCC(=O)O,0.14124659565993733
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.1834909666679885
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8233565021242387
+CCCCCCCC/C=C\CCCCCCCCN,0.2482593886426863
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.48133452459574644
+CN/N=N/C,0.753288732333137
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.5424151558728808
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.1655995000678181
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8874129158819402
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8494640933602811
+C[n+]1c2ccccc2nc2c1cccc2,0.8674853045944353
+Cn1ncc(c(c1=O)Cl)N,0.38863286530985824
+CNC(=O)ONC(=O)C,0.45169308192761687
+S1CCSCC1,0.34446766259604833
+CC(OC[C@@H]1OC1)C,0.6348571631788197
+C1NCCS1,0.3481236598282343
+O=C(C1(C)OC1)NCc1ccccc1,0.6760916199869725
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.3151832734975484
+ClCCBr,0.6534977725850964
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5572785798351234
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8936472409028354
+CCCCCCCCCCCC(=O)C,0.10672557186418584
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.7767635797077354
+Cc1cc2-c3ccccc3Cc2cc1C,0.8080307426872994
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8305388204471809
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.8826529898209751
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.8007127116717053
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.6749131303110336
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.1571436470829593
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.27770210208446605
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7677493727469124
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9147463716510106
+ClCC[N+](C)(C)C,0.4159811553784385
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8807407370503081
+Cc1cccc(c1)C(=O)O,0.1428460417741028
+CCCCCCOC(=O)c1ccccc1,0.2200836691629239
+BrC[C@H](Br)C,0.6427434946426028
+Clc1ccc(cc1)S(=O)O,0.2456357506061312
+CC(c1ccccc1)C,0.14143589817139746
+COC(=O)C1OC1c1ccccc1,0.5844576919948531
+CCCCOC(=O)C=C,0.19209106199851536
+Nc1ccc(cc1)/N=N/c1ccccc1,0.836712276410002
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.3124057252536413
+C[C@H]1CC(=O)O1,0.33289127874631297
+O=C/C=C/c1ccccc1,0.4097655417084102
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.15412296359408548
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.8770347628744828
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9132633431888411
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.1699439123317225
+COc1cc(N=Nc2ccccc2)ccc1N,0.8678555885004181
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.8362389712105815
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.23581184648458126
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.14890115260926426
+CC(=O)C1(CCNCC1)c1ccccc1,0.18155238169533872
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.7276494450460409
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.4610789728038048
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8652115055737665
+CCN1CCOCC1,0.25330724826585793
+OOC(c1ccccc1)(C)C,0.41848193378770776
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.4801680615306821
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.24879349083742602
+OC(C1CO1)CO,0.7364440103717542
+COC1=C(OC)C(=O)C(=CC1=O)C,0.35105755346331524
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9235075339519183
+C/C(=C/C)/C#N,0.20241765579630525
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9201690178023808
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.20702737852493133
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.9099788384112615
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.12556661998247132
+Clc1cc(N)c(c(c1)Cl)O,0.4221829622299702
+O=C(c1ccccc1)OOC(C)(C)C,0.4057244609648781
+O=Nc1ccc(cc1)O,0.45920806268028974
+Nc1cc(Cl)c(c(c1)Cl)N,0.49975942900657505
+Clc1cccc(c1O)Cl,0.1919727830631203
+OCCN1CCNCC1,0.34329227364589765
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8624812108670412
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.3022417410812208
+O1C[C@@H]1c1ccccc1,0.5700597737973019
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.8575413287254802
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.17917481667368593
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.1481522079982211
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.18308018722039163
+CCN(C#N)N=O,0.7569964524178965
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.21338143099480456
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9038662373138879
+O=c1[nH]cc(cc1O)C(F)(F)F,0.20985581956689173
+ONc1ccccc1,0.4581075818623715
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.1833735972818519
+O=NOC(C)(C)C,0.6117630987923053
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.22774357372671838
+CC1=CC(=O)CC(C1)(C)C,0.18592633518716817
+COc1c2ccc(=O)oc2cc2c1cco2,0.6767903808389772
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.532213298721571
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.0833777669121129
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.20198093530217923
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.15541865679987207
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.9038761932752074
+CCCCNc1snc2c1cccc2,0.32340450821070343
+C=CC(=O)OCCN(C)C,0.33780423306992
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.8240476669742166
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8732482542665538
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.13679890843002018
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9045727749642052
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.6270953156474083
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.8469074600480268
+[O-][N+](=O)[C@@H](CC)C,0.4213337298569532
+Cc1ccc(c(c1)C)O,0.21924782238627358
+C/C=C/c1cc(OC)ccc1OC,0.4213627868058754
+N[C@H](C(=O)O)CS/C=C/Cl,0.7813314365124531
+CCNS(=O)(=O)c1ccc(cc1)C,0.3880018845070959
+Oc1ccc(c(c1)O)O,0.3233072965415152
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.3054138760158162
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.35927943762240594
+[O-][N+](=O)c1cc2ccccc2cc1C,0.8998311687172386
+OCCSN=O,0.6452794354826143
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.22046006772746068
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.2781060648630047
+O=C1OC2=CCO[C@H](C2=C1)O,0.40679171782207063
+Cc1ccc(c(c1)O)C(C)C,0.19463975011237292
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.3194435375940995
+Oc1nc2c(o1)cccc2,0.23963306162664522
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.13462328394369338
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.8905248317547912
+O=NN(c1ccccc1)C,0.6746124161805216
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.15448944061593378
+CC1(C)C2CC3C(C1C2)(C)O3,0.13291737376590393
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.16296162348450782
+N[C@@H](C(=O)O)Cc1ccccc1,0.19331436184889003
+Clc1c(O)cccc1Cl,0.2070776189671309
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.1178198222823633
+COP1(=S)OCc2c(O1)cccc2,0.36357041750748137
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6642835996801618
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8765168839313793
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.6807787021615256
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7115218201767067
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.5244500897344774
+CCNc1ccccc1,0.3090441918241994
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.7278537320395242
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.920784672251956
+BrCc1c2ccccc2cc2c1cccc2,0.7885939954301016
+CSCCC=O,0.40884589018212225
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.09222800740327092
+O=C1C=Cc2c(C1=O)cccc2,0.6025511936806792
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.432293151282894
+O=C1NS(=O)(=O)c2c1cccc2,0.24345933776564813
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.831003162075034
+O=C/C(=C(/C(=O)O)\Cl)/C,0.3701425179716515
+CCCCCCCCCCO,0.0981695495266964
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.7257012350139964
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.36473007471626606
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.8533244585982949
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.4517063908134974
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.7732673755450049
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.3002096521047006
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.11359177272329372
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.8875950611245882
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.4011471639171183
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.17209102260553263
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9214896201703964
+CCC(OS(=O)(=O)C)C,0.6164277354395805
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8746947993315332
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.8860101549582686
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.09137355506290826
+Nc1ccc(c(c1)N)C,0.7896480871297591
+CC(Cc1ccc(cc1)C(=O)C)C,0.22008796820744864
+CC(C#N)C=C,0.24123817195480268
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.23923725398179435
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.5700922050927598
+CCN(c1cccc(c1)O)CC,0.30127032855858243
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9171707181475665
+C=CC(=O)NCCC[N+](C)(C)C,0.17565949229896388
+C=CC(=C)CCC=C(C)C,0.16751266369132034
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8083033691408095
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9241910432085291
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.21057357452257827
+CCNC(=O)CCC(C(=O)O)N,0.28046546550928664
+Cn1c(N)nc2c1cc1ccccc1n2,0.7879632267866683
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.27815051821616726
+NCCCN,0.2647408279248621
+CCCCCCCCC=O,0.17226695041792459
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.905808695511884
+Oc1ccccc1Cl,0.21730615759693625
+CC(=O)Nc1cccc(c1)O,0.31058014975550335
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.21655779764393462
+OCCS,0.44880515173567836
+CC1(CO1)C1CO1,0.7387976621084846
+Nc1ccc(cc1)N=Nc1ccccc1,0.836712276410002
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.3149836904972925
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.3384806388264079
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7557076338904359
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9200056297586542
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.26411866945828655
+OC(=O)CCc1ccccc1,0.2005384921077379
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.719722374381906
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7016986909274139
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.23603035610443585
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.10376014305356587
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.7699102254287727
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.1831067450116078
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.8866582911506693
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.8342093130530848
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.17746043680728593
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.17757218852349393
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.8929409611285145
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.22976354015736478
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.8350287566952178
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.515462596000493
+CCNC(=N)N([N+](=O)[O-])N=O,0.7355038795910357
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.5209304641774033
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.11116653637129141
+[O-][N+](=O)c1ccc(c(c1)O)N,0.833362551880565
+Cc1cccc2c1cccn2,0.5777279375378062
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.5356350228643787
+CCCCCCC=O,0.2429835929637769
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.8411047429513165
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.5629517733301062
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.7213104277822869
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.6158743910798129
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9274530674292747
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.8896824986013285
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.78313409853553
+Clc1cc(Cl)c(c(c1)Cl)O,0.12586821948186927
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.8909043742694819
+OCCn1c(C)ncc1[N+](=O)[O-],0.7193682500321728
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.26411866945828655
+CC(=O)OCN(N=O)CCCl,0.8644366332614573
+C/C(=C\C)/CCl,0.5263207472866972
+BrCCCCBr,0.6284332264241929
+CC(C=O)CC,0.17935388402303978
+CC(=O)n1cncc1,0.376489232591599
+Oc1ccnc(n1)O,0.29188878227453324
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.367529685493795
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.2816413825135299
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.8143501768109511
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.7617120397544219
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.6339463980502645
+ClCC(Cl)Cl,0.4456786514021215
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.34736746091558846
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.2990609951709829
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.8064437590587595
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9244272895971762
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.8764092573251119
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.11260912548571489
+Clc1nnc(c(c1)O)c1ccccc1,0.4456850848377776
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8963180214636105
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.42977970346498834
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9148689064857001
+CCc1cccc2c1nccc2,0.44150645922515747
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.546515424563666
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.8069510147176557
+O=NN(C(=O)c1ccccc1)C,0.7478220980528684
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.6707556876746175
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.10372216561320419
+COC(=O)c1ccccc1,0.26241164621743596
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9142731586290134
+O=NN(c1cccnc1)C,0.6951058592657062
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.37787539896312566
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.7375870175273549
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.6348294006238295
+CC(=O)Nc1cccc2c1cccn2,0.46017438470586725
+c1ccc(cc1)c1ccccc1OCC1CO1,0.8284524735987295
+ClCCCN(COC(=O)C)N=O,0.8865506496132614
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.7840424461733924
+NCCS(=O)(=O)O,0.24955299067403477
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.5236493390430502
+C1CCC(CC1)NC1CCCCC1,0.13223255121042748
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.11910979696241304
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.6949530894301783
+CNc1ccc(cc1)N=Nc1ccccc1,0.7599968124578266
+ClCC[N+](C)(C)C.[Cl-],0.4159811553784385
+CC(CCOS(=O)(=O)C)C,0.37686903026862584
+CC(c1ccc(c(c1)O)C)C,0.21233581764275156
+Cc1ccccc1C,0.1655995000678181
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.7709400769959266
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.10640296617484923
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6694647031300316
+OC(=O)CCCC[C@H]1SSCC1,0.2977450657603893
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.20811249185697164
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.3092093735885763
+O=c1[nH]cc(cc1N)c1ccncc1,0.4517583028519935
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.2941051581823263
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9202577792172545
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.39345193948155416
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.8922424563633152
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.8970200344733736
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.20326867261190065
+ClCc1cccc(c1)CCl,0.3181401156877972
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9014321341808317
+OC(=O)/C=C/c1ccccc1,0.19961915938106845
+[O-][N+](=O)c1ccccc1,0.4537445174553434
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.42484039299996146
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9028905600092919
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.12883831052593608
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.8905304880142537
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.32190071877498355
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.8075343008209754
+COP(=O)(OC)C,0.27365130347939254
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.2868017020608542
+Cc1ccc(c(c1)O)N,0.6683111755381809
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.45756022153721015
+Nc1c(C)cccc1O,0.6315833293025055
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.24772264762800525
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.2997287424790494
+ONc1ncnc2c1ncn2C,0.5882762427707888
+OCc1cc2c([nH]1)c1ncccc1cc2,0.7973758285177317
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.7933324892617653
+CCC/C=C(/C=O)\CC,0.13856037272055158
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.18781754842257767
+C=CC(=O)NCNC(=O)C=C,0.25285168568538496
+COCOC,0.3933102638802788
+CCCCCCCCCCCCC=C,0.10075295550087567
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8950076012404521
+CC(CNc1snc2c1cccc2)C,0.28300575546671525
+Cc1cccc2c1ccc1c2cccc1,0.8733474658872143
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.3304892936458754
+Oc1cc(Cl)c(cc1Cl)O,0.25443236754127035
+COc1cccc(c1)N,0.4072375155479235
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.629890642092204
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.6812447885220422
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.5808510435480824
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.1437450911618622
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.6765284229201687
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.39917300008559714
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.8743674967392209
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.7705012334231567
+CCOc1cc(C=O)ccc1O,0.3511877490806242
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.6979049439948053
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.16125254112392742
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.28505871652254156
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8807432778131836
+OC(=O)c1ccccc1N,0.2236798110863783
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.893320609719099
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.25627544438687455
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8567228236001859
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.09643337194092644
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9011362369300272
+ONc1cnc2c(c1)nc1n2cccc1,0.770092100902322
+C=CC(=O)OCCCCCC(C)C,0.11969640397834995
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.27189578149365834
+CC[C@H]([N+](=O)[O-])CO,0.3603841386196615
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.09909415487182306
+OCC(C(C(C(C=O)O)O)O)O,0.34455509131280704
+ONc1nc2c(n1C)ccc1c2cccn1,0.8296809583233591
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.12876665405845544
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8742577120928542
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9208475497221105
+CC(=C)C(=O)OC(C)(C)C,0.17701089528206915
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.42872550722141306
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9208589514171058
+OC1=CC(=O)C1=O,0.2537079966271073
+OC(=O)C(Br)(Br)Br,0.5672654006946589
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8187279563855656
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9158519362634793
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.47726341079589474
+COc1ccccc1O,0.30051827909713297
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.505734566587918
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.5631798569626593
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.2232730172258648
+Clc1nncc2c1nccc2,0.2803871362547828
+[O-][N+](=O)c1cccc(c1N)C,0.6723702472904646
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.22603587431411687
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.6631266555343602
+ClCC(=C)Cl,0.8239379736434042
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.6931631116726711
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.32247769328500125
+CCCCCNCCCCC,0.11729107860667191
+FCC(F)(F)F,0.155563895867914
+BrCC(CBr)Cl,0.7804295352441839
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.7875414165313108
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.9174901278251515
+ClCCN([P@](=O)(O)N)CCCl,0.6759475508761479
+CCC(=O)NCc1ccccc1,0.3396003292623469
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7628040030696921
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.6303883791916279
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.8518899704631153
+Cc1ccc2c(c1)c(N)sn2,0.6138699548729785
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9068235191587077
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.2670969313970578
+O=NN(C(=O)N)CCC(=O)O,0.544956211369895
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8930334441781373
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.44768713190730525
+ClCCOP(OCCCl)OCCCl,0.48681354392444315
+CCCSC(=O)Cl,0.5004177265739688
+O=NN(Cc1cccc(c1)C#N)C,0.7653598024885429
+O=C1C=CC(=O)C(=C1)C,0.3146643707319124
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.4155834779789438
+Nc1ccccc1SCCSc1ccccc1N,0.5685503531453509
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.6631696752416786
+ClCc1ccc(cc1)C(F)(F)F,0.2663045322758794
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.7830347913489574
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.12883708358470036
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.19301400582650816
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7475969401148426
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.104630234956564
+OCc1ccc(cc1)F,0.24652673730477317
+Cc1ccc(cc1)CC1OC1,0.8039621041012198
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.921474838728887
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.7871202823595878
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8892604170143592
+CCCCCCCCCCOC(=O)C(=C)C,0.09959673151683666
+ICC[C@@H]1OC[C@H](O1)CO,0.5396546231120218
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5356259464630114
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.15233080148224945
+Cc1cnc2c(c1)cccc2,0.5644612925367787
+CCCCCCCCCCCCCCCC(=O)O,0.07775826811008611
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9192404573909596
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.8096136204980291
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.7087656114498829
+COC(=O)c1ccccc1S(=O)(=O)N,0.17057045734549747
+O=NN(c1ccccc1)COC(=O)C,0.7279527957768563
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.5217070020613036
+NC1CC(C)(C)N(C(C1)(C)C)O,0.29910086081010184
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.854091087380882
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8250580705096906
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.20164529444546742
+CC(OC(=O)CC(=O)OC(C)C)C,0.20592926017212504
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.21897543467517333
+BrCCCCCBr,0.4883921397031971
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.5171107662649331
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.7231003694898238
+CN(C#N)C,0.4809293483173704
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8679876095528913
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.7653703803677386
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.6791508303435141
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.17200361152844434
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8638670574421363
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7436311802977799
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.12764718505157688
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9170322612569002
+OC(=O)CCP(=O)(O)C,0.16332569666392982
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.3558032515679418
+CC1=Nc2c(C1(C)C)cccc2,0.3409806146487433
+CNc1c(C)cc2c(c1N)cccn2,0.5742619942411409
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.8409813381311507
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.423462545614681
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.6058699921853508
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.7503201262253828
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.32968646564952236
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.8900306544936633
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.5596209448430017
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9273784456199415
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.8941486172251699
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.7502117847508567
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.23090977483243133
+Cc1ccc2c(c1)nccc2,0.5251615361805418
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8233607217211832
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9117561856209474
+O=Cc1cccc(c1)[N+](=O)[O-],0.7244896763043546
+CCN(C(=S)SCC(=C)Cl)CC,0.3636693969103813
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.30786043880638025
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.5511341554250356
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.1990500811679516
+CN(C(=O)Cl)C,0.5861269178874582
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.24374733574343402
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.14999387947641846
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.6916896721925925
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.8714377500047618
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.6067285004945042
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7758407261290706
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.5667871237594665
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.12352785555924134
+CC(=O)/C=C\c1ccccc1,0.47431691020145983
+C/C(=N/O)/C(=O)C,0.4152062275446877
+CCNc1nc(NC(C)C)nc(n1)Cl,0.15884122642286413
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.5620141715779671
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8251597605948886
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8648748037488954
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.22184433420847016
+CCCCOCCOCCOCCCC,0.23068212979962138
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.35018311766142957
+CCC/C=C/C=O,0.3370697538794183
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.22658981806224826
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.07540458303646831
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8885796009563062
+CCNS(=O)(=O)c1ccccc1C,0.24016414854340856
+[O-][N+](=O)c1cccc(c1C)C,0.46016660730494785
+ONC(=O)c1ccccc1O,0.4599831502347077
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.5410278131466243
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8412173578328841
+[O-][N+](=O)c1scc(c1)C(=O)N,0.7781230391770636
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.18230179450704542
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.41077329734588425
+CN(CCOC(=O)C(=C)C)C,0.21666755823504713
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.8570031142227298
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.8519547715458785
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.7089173094570586
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.8829294080209316
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.834894012632464
+O=c1[nH]ncc2c1cccc2,0.427995238559165
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.47934940324124614
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8100343779707998
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.2040531462068291
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.9045232708167695
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.7112999872512966
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8672263185891708
+C=C1CCC2CC1C2(C)C,0.08728242493951531
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.22031904423818607
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.806817783037221
+O[C@@H]1OC(=O)C=C1CCl,0.8123797234000626
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.18065882723882234
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.09065994846487511
+CC(CN1CC(OC1=O)C)O,0.20833750840299314
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.1881405553655175
+CCCCC(=C)C=O,0.20508108800259298
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.6091294768314729
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.10085747775470236
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.8867765441300035
+CC(=O)Oc1cccc2c1nccc2,0.4559712265164011
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.8411887874882845
+CCC[C@H]([C@H](CO)CC)O,0.13700393104356523
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.4400076395557241
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9148259685851919
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.4084226015988782
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.4644789868443847
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.7141207422683393
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.6876303799346594
+CCC(=O)C=C,0.2638287859726836
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5261371179666318
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.6820793117759949
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.5559162113163816
+CCCCCCCCCCCCCC=C,0.09470062732033846
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.1708538888542274
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.808677549907822
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.1229326920800184
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.7144227724126685
+[O-][N+](=O)c1ccc(c(c1)N)N,0.8808360779989025
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9198285338381434
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.27658601629325974
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.799268764997576
+OCc1ccc(cc1)NNC(=O)C,0.4059331548320183
+ClCC(=O)N(c1snc2c1cccc2)C,0.5213822833342204
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.14886908179426903
+O(CC1OC1)CCOCC1OC1,0.7971005754612576
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.7734427272908269
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.8890839192570191
+COc1nsc2c1ccc(c2)OCC1CO1,0.8171592316408772
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.11668388538111722
+OC(=O)CNCP(=O)(O)O,0.24144396603640447
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.4758542176741974
+CNC(=O)N(c1ccccc1)c1ccccc1,0.26239624011857776
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.46541747162931885
+[N-]=[N+]=NCCc1ccccc1,0.8042618560962868
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.12559402269019562
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.6314938463024508
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.23249982202153033
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.4064418628486695
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.5806349857982764
+OC(=O)c1ccc(cc1)Cl,0.13129100913577926
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.1009447590857631
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.7899991357049382
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.1703144242055391
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.7914873406702301
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5570237333840137
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.8881946462086235
+CN1CCC(=CC1)c1ccccc1,0.4567969033818182
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.4010497091491486
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.19288688512613542
+OCc1occ(c(=O)c1)O,0.3460591734344199
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.8760663550172387
+CCCCCOC(=O)C(=C)C,0.12444274054127379
+OC(CN=N#N)CN=N#N,0.7511742372107879
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.24601870444403753
+Fc1ccc2c(c1)sc(n2)O,0.38304892488488373
+Cc1ccco1,0.21439516678300588
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.7415805117915618
+C[C@H](CCl)O,0.6911567315332676
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.10214155986579856
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7696934391674237
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.4530398594532628
+CCC=O,0.4020813151307942
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.21163342411279246
+CC(OC(=O)C)C,0.20711153564084228
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.8201949460398414
+Cc1ccnc2c1cccc2,0.6479444506897681
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.35570724217475136
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.6033802064751377
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.8190859026087796
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.24038664379123514
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.3587776294708552
+Oc1nncc2c1cccc2,0.3758048829952153
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.2206182905505928
+C=CCCC1CO1,0.6675103352738411
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.24137907255169894
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.46520702883935916
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.8037271119758228
+O=C1COC(=C1O)C,0.4707178490217048
+NC(=N)N,0.237020326059996
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9069396854193085
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.17800741283750182
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.8599451099343889
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.8678843359251548
+CCCCOO,0.45230526392119846
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.79199338752918
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.856303771945948
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.22773595422845275
+COc1cccc2c1nc(s2)N,0.6938779983551897
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.8794183911510567
+CCCCCCCCCCCC(=O)O,0.08496449598209156
+CC1=CC2CCCCC2c2c1cccc2,0.5049766119427914
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.5387225120798587
+Oc1ncc(cc1N)c1ccncc1,0.6018011070073567
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.7134408710431217
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.6582557304211174
+CCCCC(CCCC)(CCC)S,0.14280308597603908
+CN(c1ccccc1)C,0.28789944373433635
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.583703482928762
+Nc1ncnc2c1ncn2Cc1ccccc1,0.653546670505335
+NC(=O)c1cccnc1,0.286547577467107
+N#Cc1ccc2c(c1)nc(n2C)N,0.710196537105356
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.1498976424859088
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8771963793863555
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.7889372566971102
+CCOc1ccc(cc1N)NC(=O)C,0.4007146628937941
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.5474287168389618
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.3756893314911889
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.6572718834033003
+Clc1ccc(c(c1)Cl)O,0.16673387928170133
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.35000012050785284
+C/C=C\C=C,0.3972764432894824
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.25412834182907285
+CCN(c1ccccc1)Cc1ccccc1,0.3551954769505127
+Nc1ccc(cc1)N.Cl.Cl,0.6238406432032612
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8047614767012817
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.5868582214970104
+OC(CO)CN=N#N,0.7396402777502982
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.536937390408932
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.6186810704472564
+CCOc1ccccc1[N+](=O)[O-],0.6431795960252352
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.24263648338624463
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.4213095896877376
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.12340499984720195
+BrC[C@H]1CO1,0.8311386643052389
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.7233864099841968
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.27365240526266155
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.8037388522165009
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.26096192735962626
+Clc1cccc2c1cc1ccccc1c2,0.801991956537544
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.677928742514882
+CN1CCN=N1,0.6716101187351178
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.1686354984748935
+O=NN(C(=O)N)CCCC(=O)O,0.6114570141572234
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.782462693457513
+CCOS(=O)(=O)c1ccc(cc1)C,0.4341969211992464
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.13434066926778013
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.40272626001114126
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8438074657249123
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7423282490578608
+CCCC(=O)OCCC(C)C,0.1370552036165894
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.551333660385571
+c1ccc(cc1)Cn1cncc1,0.5741741885047456
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.3222369802302323
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.40967384943278307
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8834963662771946
+Nc1ccccn1,0.3137203228836234
+OCCc1ccc(cc1)N(C)C,0.2750811162952368
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9005031026638796
+CCCCCCC1OC1,0.25292975952973906
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.19524905673201262
+c1ccc(cc1)[Se][Se]c1ccccc1,0.3203349461726167
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.5646302841807065
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.196767038515682
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.14189991705636004
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.15075633307720201
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.28668655217622396
+CCCCC,0.18047772930314104
+CCSCSP(=S)(OCC)OCC,0.2370889513859317
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.09139417125803873
+Oc1cccc2c1OC(C2O)(C)C,0.3037189491822588
+Cc1ccc2c(c1)cccc2,0.41827977393061616
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.1303068440267655
+O=NN1CCC[C@@H]1c1cccnc1,0.6921343383572789
+CCCCCN(CCCC)N=O,0.6172761649571028
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.6623588397394969
+CC/N=[N+](/CC)\[O-],0.4675969267314155
+CCCCN(CCC(=O)O)N=O,0.875486268807977
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9288159566896741
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7696934391674237
+Cc1cscc1,0.21499408755302096
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.6102376918391963
+Clc1cnc2c(c1C)cccc2,0.5770191197526419
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5474905243135613
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.20640297704893887
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.2787643279131371
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.30252157825600434
+O=Cc1ccc(o1)[N+](=O)[O-],0.7188176498332078
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.8779780750286609
+O=C1NC(=O)C(=C1Cl)Cl,0.5281539823160246
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.816975937568769
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.8883000646348261
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7566052266395485
+OCCN(N=O)CC,0.8387938940005923
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.8075297447741261
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9123006259709252
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.398592688482972
+C/C(=N/O)/CC,0.5623845805043642
+ClCC[N+](CCCl)(C)[O-],0.6141322670110956
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.22255768607117843
+OC(=O)CCCc1c[nH]c2c1cccc2,0.21637106048433297
+C/C=C/c1ccc(c(c1)OC)O,0.1925623766283306
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.7887217901618998
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.8498767135139208
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.3354809455794901
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.3542568876592491
+COc1nsc2c1cccc2OCC1CO1,0.7651238317878647
+CCOC(=O)C(Br)C,0.6789182606716443
+[O-][n+]1ncc2c(c1)ccnc2,0.37049876132433146
+CC(=C)C(=O)OCC(C)(C)C,0.17849604878238237
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.1983893770097641
+CCCCC1CO1,0.3519427343563192
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.18777388874293036
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7499861068480582
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.779128195811905
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.37380357332221337
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.18886230649286265
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.29309461521758007
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.14692067235074413
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.1664480671522683
+Nc1ccc2c(c1)nc(c(n2)C)C,0.7445570433212352
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.9040555293618867
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.2643757950058323
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.91821274665142
+CCCSP(=O)(SCCC)OCC,0.23635613437887754
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.2887887772752993
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.8529898062879498
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.8784822907149313
+CCCCCN(CCCCO)N=O,0.7415852332060447
+O=NN(CCN(C)C)C,0.7330137019614249
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.783902561449172
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8090860282532651
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.14875187605297865
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.1895775856191057
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.5676754486180119
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.657377473514189
+COP(=O)(N1CCOCC1)OC,0.4159260512226318
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.5699459763522337
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.6490361007914078
+SC[C@@H](C(=O)O)NC(=O)C,0.3277523914219167
+Nc1ccc(c(c1)Cl)Cl,0.3369125712449574
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.18048919143610265
+CCCCCCc1ccc(cc1O)O,0.17662654319382762
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.4360940787120009
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.7681888589692527
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.15664509815736388
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.7573633089364281
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.919519583063816
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8964397239103551
+O=CC(=O)c1ccccc1,0.29813091845880263
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.692552731490679
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.8242236458227135
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7653703803677386
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.9188208413834137
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8629846565816155
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.08632042112994877
+ClC(=O)CCc1ccccc1,0.3785300809339889
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.23620059726904813
+Cc1c(N)c(C)c(c(c1C)N)C,0.5221727238618076
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8556632834504961
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.8829294080209316
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.7296837031199874
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.599230474505913
+c1ccc(cc1)/C=C/c1ccccc1,0.29315043589474366
+CCC(C)C,0.19338589215038493
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.10352138878381174
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9287843586880333
+S=C=Nc1cccc2c1cccc2,0.558506564953662
+CCOC(=O)C(=C)C,0.2416885805732128
+O=CC(C)C,0.391015254158918
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.8410882939333092
+ClC(c1ccccc1)(Cl)Cl,0.5181726858538338
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9118866377563684
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.9046488847475058
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.14149395096044348
+CCN(c1ccccc1)CC,0.3091976050446273
+O/N=C(/c1ccccc1)\N,0.632801849789971
+Nc1cccc2c1cccn2,0.6242769850129801
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9096980524416508
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8744400441253077
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9288003127310035
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.29055429959315215
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.37664234346042696
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.7776164110377349
+NC(=O)c1c(Cl)cccc1Cl,0.32301999299405876
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.20568050592706252
+COc1ccccc1[N+](=O)[O-],0.6175901078001527
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.8040868315983843
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.4265369577317082
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.7975452124777815
+CC(=C)C(=O)O,0.2577511589926906
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7013817782631914
+CC(Cl)Cl,0.4999985952806047
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.757597611289013
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8386602716380898
+COP(=O)(O)O,0.25992323675924583
+NC(=O)NO,0.30260318152570576
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8965759097885624
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8157282760751735
+C=CCc1cc(OC)c2c(c1)OCO2,0.3963990803029404
+C/C=C/C=C/C=O,0.6007438046919484
+O=C=Nc1cccc2c1cccc2N=C=O,0.6414851489135588
+O=C1C=CC(=O)O1,0.4079742051895235
+O=NN(CC(=O)C)COC(=O)C,0.8479041995604384
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.8966468454700158
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.2704250345504296
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.8485273564470525
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.4315999337517097
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.8928798320994631
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9192500824233476
+C=CC=O,0.5439466918269308
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.18279379062988343
+Clc1cc(Cl)c2c(c1O)nccc2,0.4848319803910172
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.4194981730873345
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.11246615914892903
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.44213395666521216
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.08727214504861912
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.12384357068078049
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.701872155204837
+O=C(Cc1ccccc1)OCc1ccccc1,0.4011997098405735
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.10616042973212139
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.69448342362245
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.17126143219685544
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.2150174927301879
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5478131846227792
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.20207520823388833
+ClC[C@H](O[C@@H](CCl)C)C,0.5102058759291908
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9229196055676784
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.11063907074253898
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.4755746188072293
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.20415834291106968
+OCC(C1OC(=O)C(=C1O)O)O,0.16631891576935298
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.17218499894056966
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9067241585462198
+CCCCN(C[C@@H](CCO)O)N=O,0.7447724939771619
+O=N#Cc1cc(C)cc(c1)C#N=O,0.629653869125879
+CCN(c1ccccc1)N,0.524932259860066
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.7138608249134712
+[O-][N+](=O)c1cccc2c1snc2Cl,0.7830699984758673
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.41067680046443655
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.26506373803061367
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9199669171292719
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.09839372577151828
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.28804131103179603
+ClC(C(Cl)Cl)Cl,0.4013479531500495
+Cc1cccc(c1N)C,0.6392964210886874
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.8964515511457443
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.22795278184758486
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.6479742581700669
+Cc1ncc(nc1)C,0.29292816874878275
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.17774046336102003
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8656829389936591
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.1445057226256358
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7808661293913903
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9185143255072854
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.6691463156087926
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.4262592309757634
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.15480479904332298
+Cc1cccc(c1N)C,0.6392964210886874
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.8674461784522749
+CCOO,0.49328567578324956
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.8133208802655861
+CCOC(=O)c1ccccc1N,0.2911192131640435
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9190024967985242
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9209253707801721
+O=Cc1ccccc1O,0.2265929354479108
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.17362769687826168
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.33382243520250326
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9150320018455219
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.9029718878756217
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.12995704268750247
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.19498870112719044
+CN(C(=O)OCC)N=O,0.8491034479412336
+OC(=O)[C@@H](CCl)Cl,0.4740408287688689
+C=COc1ccc(cc1)[N+](=O)[O-],0.8160445000705777
+CNC(=O)O/N=C/C(SC)(C)C,0.29829007758477777
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.12764718505157688
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.3516970897345817
+CC(COS(=O)(=O)C)C,0.5486054332657319
+C[C@@]1(CO1)C=C,0.28009942076772043
+Nc1cc2ccccc2cc1N,0.7287587107832519
+Brc1cccc(c1)c1ccccc1,0.26130287241310685
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.5225939166778663
+OC(=O)CC(C(=O)O)N,0.17764354054671755
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.6997381900563043
+CC(COC(=O)C=C)O,0.22094817034207415
+O=C1c2ccccc2Cc2c1cccc2,0.4937488496085219
+O1CCOCCOCCOCCOCCOCCOCC1,0.17775711681873854
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.14695526930095626
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.27411034598423334
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.27060021825306035
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.08998000741308786
+NCC(C)C,0.1679499950815956
+CCCCCCCCCCCCc1ccccc1,0.19094806663701638
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5406527269740165
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.1882241773005144
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.894675068878788
+NN(C(=O)C)C(=O)C,0.32043431271349637
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8656829389936591
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.6954861767326022
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.6586770154453528
+CC(=C)c1ccccc1,0.17624917663295203
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.17299894677132446
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.7454136955100983
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.8903186004246572
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.7688551074500711
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5777713853923586
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.3425254744491793
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8695808164511719
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.6056214080291633
+ClCC=CCCl,0.7843932593195727
+Nc1c(C)cccc1N,0.7396051357811311
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.16245050189813606
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.31151606102567303
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7951104384413756
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7711209776953786
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.32369640004827016
+Nc1[nH]cc2-c(n1)ncn2,0.38931549571158985
+C=C[Si](Cl)(Cl)C,0.3788103924423663
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.10686531405001608
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7872036170471034
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.09989114847238348
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.6919586811847697
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.8906686856888935
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.8637744253766181
+NC(=O)C=C,0.3436765003640173
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.45858497216117994
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.7106889356021535
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.19124013977746213
+[O-][N+](=O)/C=C/c1ccco1,0.6361695614006007
+ClCC(=O)c1ccc(cc1Cl)Cl,0.44889487848382065
+O=NN(CC(=O)COC(=O)C)C,0.8583401513178757
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.7535080930195547
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.7053497078584384
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.7522919122941983
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.3564237123744922
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8668053717023668
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.8921028749213803
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9127907301197244
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.832218463950067
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.8726379619332735
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.4285713738752755
+Clc1ccc2c(c1)c(N)sn2,0.6116709779141928
+N#N=Nc1nc2c(n1C)cccc2,0.7898582700319113
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.2019227486412611
+C=CS(=O)(=O)C,0.47450202830232885
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.461001348911807
+CCO[Si](OCC)(OCC)C,0.17645991943504505
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9190460811653297
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.2787264205858801
+OCc1c(CO)cnc(c1O)C.Cl,0.22141054678054492
+CC(C(=O)O)Cl,0.5103442690567426
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.12261941683387359
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.8231792545760157
+Cc1nccc2c1[nH]c1c2cccc1,0.869212703384227
+O=C1CCc2c(O1)cccc2,0.3792836862299755
+BrCC(=O)N(Cc1ccccc1)C,0.48800931966448224
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.5420861926596366
+Nn1nnc2-c(c1O)nc1c2cccc1,0.7356335680056633
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.3890206837181774
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.2599589696702511
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3256305261020865
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.644107725168017
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8135894189241986
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.34633395600912126
+CCCN(CCC)CCC,0.1465197678679788
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9194420581773013
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7426439837555975
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8844791316244314
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8225546574479016
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.6212140629704357
+OC(=O)[C@H](O)C,0.15242849175879447
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.341708443254429
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.23695662605360215
+ClC(=O)c1ccccc1F,0.3577238813585564
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8950599375867865
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.1828692152631517
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.8328790070274478
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8117561439856938
+CNC=O,0.3785331581113419
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.2751946127298976
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.8436035093313914
+ClCC(C(Br)(C)C)Br,0.4143142395043989
+COC(=O)c1ccc(cc1)C=O,0.28472797824724955
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.5193792601900956
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.8253731533025562
+ClNc1nc(NCl)nc(n1)NCl,0.3160547755106345
+CN(c1[nH]cnc2-c1ncn2)C,0.5723296229283408
+C[C@H]([C@@H](CBr)Br)Cl,0.8198331500379995
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.7280343244957991
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9188935539736692
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.45835967159888097
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5823042096631467
+O=c1cn[nH]c(=O)[nH]1,0.5207788939594499
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.12977301831717472
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.2417324015469348
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.28594220604311493
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.10519085914232801
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.25906284021226816
+OC(=O)CCl,0.5645180842718959
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.12441596123701662
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.27839759460999547
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.17699916009399916
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8981272706402267
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.15707046031389227
+C[C@H](C=O)CC,0.17599273212914718
+ICCc1ccccc1,0.3217149371205999
+Cc1c(NC)ccc2c1nccn2,0.619586841888979
+NC1CCCCC1,0.1640572235156125
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9057830273010647
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.7392585951814565
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.11824244238012592
+ClC(C[C@@H]1OC1)(Cl)Cl,0.6312243492705338
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.7957327011574671
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.6144062051486429
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.8182268682578262
+Nc1cc(Cl)cc(c1)Cl,0.2380623230159117
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.3221859066830666
+COC(=O)c1sccc1S(=O)(=O)N,0.2013075502636322
+ONc1ccc(cc1)[N+](=O)[O-],0.8084211321993933
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.2148465029543941
+NC(=O)Nc1ccc(cc1)C,0.3714778360611944
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8370571685584481
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.23320233680088034
+BrCC(=O)c1ccc(cc1)Br,0.31858270467282696
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.6401626298876648
+CCN=NO,0.8351967645257329
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.7245377779035708
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.8691693735079965
+c1ccc2c(c1)ccc1c2nccc1,0.8192043621316553
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12680316506330913
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.3014884524329016
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.11445680307726787
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.4405998495852582
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.5947319081899045
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.3082390221556998
+CCCCOP(=O)(OCCCC)OCCCC,0.17457098017662467
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.8683835138688545
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8527007952165764
+COc1nsc2c1cccc2OC[C@H]1CO1,0.7651238317878647
+c1ccc2c(c1)nc1c(c2)cccc1,0.6375317044661365
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.5788299971976242
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.5918364548028723
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.1959981658798804
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.8441602222853907
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.7775380503548815
+O=C1NCNC(=O)N1,0.2575483397033666
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.92465370423436
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.25336742434654214
+OCCOCCOCC,0.2818694382537122
+O=C/C=C/c1ccc(cc1)N(C)C,0.43249675929600484
+Oc1ccc(cc1)C(=O)O,0.17817163781777004
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.11897615053705858
+C/C(=N\O)/CC,0.5623845805043642
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9087161829843298
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.21687620238800548
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.812732263656122
+CCC(=O)C(=O)CC,0.21911715681540705
+C1CCCC1,0.2644295047391176
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.43147707039246874
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.18821300060366153
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.2075600047447893
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.20611839263003848
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.9252493535271338
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.23582430400356402
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.09898514089582451
+Cl[C@@H](C(F)(F)F)Br,0.26884930530296847
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.4092195523529114
+CCCCCCCCCCCCCC(=O)O,0.08057533910691356
+c1ccc2c(c1)Oc1c(O2)cccc1,0.47601492120449757
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.15707722426727178
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8342127348947912
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.24015269526875038
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.910280149570586
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9184362623067953
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.5476507719357471
+NNc1nncc2c1nccc2,0.7274898750178425
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.6629596658277368
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.32511099601002985
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.886261344632232
+O=C1C=CC(=O)C(=C1)Cl,0.43252700292279167
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.4156008091447387
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.17325062481858483
+N#CCC[C@](C#N)(CBr)Br,0.5065594126169884
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.3901819368627376
+C=CCOC[C@H]1CO1,0.7061736174185971
+O=c1nc[nH]c2c1cccc2,0.36120771953057795
+COC(=O)CCC(=O)OC,0.32573577393798414
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.14187864179936807
+NC(=O)NCC(=O)O,0.32334632199344765
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.6185006778769099
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.6685306914567251
+CC1=NNC(=O)N(C1)N,0.5572096778419133
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.8227803316928088
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8742239530065451
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.13710619217251177
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.8236560732676127
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.9114303068577588
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.12776672845613873
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.1380362089628415
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8502263466702055
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.42269469043015023
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8238931356882052
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.8928798320994631
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.4429454546101393
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.5911166831669088
+CNC(=O)Oc1ccccc1OC(C)C,0.2953887827132387
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.269941084127281
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.8780352142040836
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.260902535182387
+O=C1CC=C(O1)C,0.3638423353244759
+CCCCC=C,0.1672298702480882
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.2896553616990098
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.14817408358456824
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8494690146328451
+Clc1ccc2c(c1)cccc2,0.3599314036194138
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.6553372773590658
+COc1ccc(cc1)N,0.6180950608666078
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.09913208583460341
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.845657832899047
+[O-][N+](=O)c1ccc(c(c1)N)O,0.8219040309348022
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.15350433301282088
+CCCCN(CCCC)CCCC,0.1263978835502077
+ClCc1ccc(cc1)Br,0.2727706632681901
+CN(N=O)C[C@H](O)C,0.8041138188430105
+COP(=S)(SCC(=O)N(C=O)C)OC,0.516216799724971
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.20121333922334922
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.19492369062626655
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.8882671201453416
+CCCCCCC(=O)OCC,0.14621400943602547
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.205942656452145
+NC(C(=O)O)CS/C=C/Cl,0.5441365293189244
+ClCN1C(=O)c2c(C1=O)cccc2,0.40454454240351845
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.6238193668548987
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.8110765318698298
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.5401426512139175
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.19139820332838495
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.7334184996676608
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9131589195610986
+CCCCN(CC[C@H](O)C)N=O,0.7739023064168785
+ONC(=O)c1ccccc1,0.4859860239352966
+OC(=O)c1cc(O)c2c(n1)cccc2,0.33844566739914206
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8695535837322153
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9207549195946502
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8883689071853111
+CCN1CCN=N1,0.7016188261755342
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.8191372366887179
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.6527032794400512
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7997791855683324
+BrC(C=O)CBr,0.8604832596158644
+Nc1nc(O)c2c(n1)nn[nH]2,0.4227264111008188
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.2792053299882932
+C[N+](Cc1ccccc1)(C)C,0.14979163171146517
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.31385354452326064
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.6978692248335072
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9002287559280682
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.4201725798896963
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.9195762113768675
+C/C=C\c1cc(OC)c(cc1OC)OC,0.4775836943930691
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9125276080188993
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9121779551916592
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6197827531104461
+CCC(OC)(C)C,0.1705532604526588
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9226411416435615
+CCSC(=O)Cl,0.6156937018254443
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.8173051652627731
+Clc1ccc(c(c1)N)O,0.48171769887161625
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8443769939665456
+Nc1nc2c(s1)cccc2,0.4463953166397183
+O=NN1CC(=O)NC1=O,0.6583324660688598
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.615760723330235
+CCCN(C(=O)N)N=O,0.8222123123167685
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.1546017602864937
+CC(=S)N,0.29945084212109874
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.1504287130265243
+OCCCN(N=O)CC,0.874150468205038
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9199803753904326
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.8283245215985974
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.41736089710773666
+Clc1ccccc1C(F)(F)F,0.19671286721995934
+COCCOCCOCCOC,0.2632064364555765
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8566089221589559
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.7207234879882176
+BrCCC(CCBr)(CO)CO,0.4634591397454073
+CC(Nc1nc(N)nc(n1)Cl)C,0.19850678464481405
+Nc1cccc(c1)c1ccccc1,0.7679248208080959
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.3812261664325449
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.7383515019010415
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.8300369266049828
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8260009985743096
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.17746464458750305
+NC(=O)c1ccccc1C(=O)N,0.39055533881606647
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.18294354949614564
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.1046828514674115
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.5585858233832965
+C=Cc1cccnc1,0.23129842813512913
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.7164174355741249
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9224733738620383
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.6810342239811501
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.609453966651921
+CCCCc1cc(C)cc(c1O)CCCC,0.15132532062794624
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.14961141899191754
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.15472532113695694
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.391647421231856
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8761272827679257
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.3799425616868576
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.8456645939270931
+O=C1CCC(N1C)c1cccnc1,0.25022381270636107
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9005933226463957
+CC(=O)Nc1ccc(cc1)O,0.33228734983336633
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.8641786925868687
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.7534726141319941
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.18044860497932455
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.13519018193588722
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.8947272614221286
+O=c1[nH][nH]c2c1cccc2,0.35400800590057024
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.12789004826312803
+C[Si](O)(C)C,0.2535304237313626
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.17445732429009747
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9238917038613844
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7819144446582169
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.7754257839768965
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.37692641549456474
+COc1ccc(cc1)CCC1OC1,0.8046311366592364
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.3432098871485082
+OCC(Cc1ccccc1)CN=N#N,0.6583743751202941
+CCOc1ccc(cc1)[N+](=O)[O-],0.770248356819228
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.7526875699784028
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.12880671262827031
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.730058224198595
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.09815278724948172
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.690379696825512
+CCCCNCC,0.14822848013773376
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.8322058698498518
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.8057644579881597
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.835506371736649
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.2935899788255949
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.820565604937042
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.11628947530787931
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.666297345481729
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.172795360542696
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.4247594849571886
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.6330807016718117
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.2570123592158129
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.8625492372941571
+N1CCNCC1,0.2720751408177352
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.14552089018734304
+COc1cccc2c1C1(C)OOC1(O2)C,0.6488445611163742
+CC1(CO1)C(=O)N,0.5696336681117432
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.8040944765536634
+CSc1cc(SC)c(c(c1N)C)N,0.3926436069774722
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.1946589203123495
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.23131429276285562
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8686246717157214
+ClCC(Cl)(Cl)Cl,0.4353855129214447
+O=C1NS(=O)(=O)Cc2c1cccc2,0.3198713802720511
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.7947626797499259
+CC(=O)CCl,0.753301763505522
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.14105571168452086
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.14951150801344526
+c1ccc2c(c1)cnnc2,0.20929315557369224
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.3617063656737861
+CCN(N=O)C=O,0.8272967721842
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.09186224809362255
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.14959818535091574
+O=C([C@@H]1OC1)Nc1ccccc1,0.7431143733545317
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9180732993005247
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5522098509667561
+COc1ccc(cc1)C[C@@H]1OC1,0.8588102752066984
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8857866367551158
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.8546717090497405
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.7926913920651838
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8227959697805232
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.6387333142863592
+Oc1cc(O)c2c(n1)cccc2,0.422447446977269
+OCNC(=O)NCO,0.29465888038137317
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9154026599746581
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.3938955223666554
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.23133811724046083
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.20414283204438444
+C[C@@]1(CO1)[C@H]1CO1,0.7510933203956586
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.8330708155356521
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.17310540588293288
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.49755182784021323
+O=NN(CC(=O)C)C[C@H](O)C,0.7446675486677877
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.7982451541941498
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.7997513766639353
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.312892869364882
+Oc1cccc(c1)Nc1ccccc1,0.5116658141002436
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.09170734632002107
+NCC(=O)O.Cl,0.1735216285384931
+COc1c2oc(=O)ccc2cc2c1occ2,0.6436811012463165
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.8276501689330991
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9140327293832204
+[O-][N+](=O)C(C(O)C)C,0.33975574513765144
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.23984498961017456
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.8209424362552133
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.12071114792813858
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.5548280953164113
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8449562483107718
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.31523202878743534
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.1289809915435746
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8753983816440748
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8673879477241196
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.851925048958527
+C/C=C\C=C/C(=O)O,0.1773043932931551
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.2598402031582366
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.16226782914873178
+c1ccc2c(c1)scn2,0.21949942673760064
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.8343132011950005
+C([C@@H]1OC1)C[C@@H]1OC1,0.7757266194951659
+CCCC=O,0.36026758657602503
+OC1CC(C)(C)N(C(C1)(C)C)O,0.2495938592632488
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.1011795682655573
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.2374154615134555
+OC(=O)COc1ccc2c(c1)cccc2,0.36494536957243134
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.6933116423507669
+Nc1ccccc1Cl,0.3677592169557085
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.10086711357656097
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.3139496179619305
+CNC(=O)N(C(=O)C)O,0.3487626894673675
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7153138653029506
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.6611748770150847
+OCNC(=O)c1ccc(cc1)Cl,0.2518824253698485
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5669037129211574
+NCCc1c[nH]c2c1cc(O)cc2,0.5023693792417119
+c1ccc(cc1)Nc1ccccc1,0.38383898340960454
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.8231747458809937
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.6188161981680578
+COc1ccccc1C[C@H]1CO1,0.7925864652038185
+Nc1ccnc2c1cccc2,0.7810821388544856
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.38294780669435186
+COc1cc(N)c(cc1N)OC,0.5087896990213177
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.3725428585997177
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.1292144602839416
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.5467091865185069
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.7435816309399518
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.24371867678187423
+NCCc1c[nH]c2c1cccc2.Cl,0.44254617634772236
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.4003371982183851
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.5559124167259837
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.9113183994783891
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7509523995281563
+C[C@H]1CO1,0.4848928049099784
+Cl/C=C/CSCC(C(=O)O)N,0.7136463820607506
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8869635003083156
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.5545181958942282
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.40378447833028547
+N#CCc1cn(c2c1cccc2)N=O,0.7758618043273442
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.7267074074053208
+CN(c1nc(C)c(c(n1)O)C)C,0.25219133032731517
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6933267739266431
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.8909891326303957
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.8359380434651397
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.2694863829295653
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.1861568690787298
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.884747766795269
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.7234046781827255
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.2988914354596847
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.8754515308185716
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.1918733995601996
+CCCCCCCCCC=C,0.08432888427536075
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8500826219650415
+CCOC(=O)CC(=O)CCl,0.45132214808124943
+C=Cc1ccc(cc1)N,0.5447170949294453
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.8119268103481432
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.32038953471649767
+Nc1ccccc1SCSc1ccccc1N,0.5524410383342169
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.09764954912157152
+CCC/C=C(\C=O)/CC,0.1316953977935448
+Oc1cccc(c1)Cl,0.13951379072880973
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.6668371923333949
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.3618485300504144
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.34189791759006327
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.7979386400472905
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.6809942390281304
+N#N=NCC(C(C(C(CO)O)O)O)O,0.7070117739410448
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.2596902433678259
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.5718210257672384
+Cc1cc(C)c(c(c1N)C)N,0.49141844555488357
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.24300897090280668
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.12531604700168614
+OC(=O)c1cccc(c1)C(=O)O,0.20384310636852815
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.19040698785350915
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.3132344116395236
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.21300872915029065
+OCCCCCCCCCCCCCCCCCC(=O)O,0.09490980775181336
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4101591620685483
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.8565332016780957
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.6187528871712495
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8162274923678595
+COc1nncc2c1cccc2,0.5244544399856073
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.10733641169394408
+OC(=O)CC[C@@H](C(=O)O)N,0.10034341620201954
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.25167386476809217
+CN1CCN(CC1)C,0.2681156731422349
+NNc1nncc2c1cccc2,0.7598723341412793
+OC(=O)c1cccc(c1Cl)Cl,0.14674990808858718
+ClCC(=C)Br,0.8184158067664341
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.31966530291289913
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.29762456475047433
+CCOc1ccccc1N,0.6137020991430707
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.4640134604774989
+OC(=O)Cc1c[nH]c2c1cccc2,0.2898365441368657
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.21637583371814245
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.18897416986404042
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.8567228883377154
+Clc1nncc2c1cccn2,0.3259135668031048
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.7295449327003533
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.33476798297523574
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.8552395384524349
+O=C([C@@H]1OC1)NCc1ccccc1,0.7524072969543506
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.4070973988650747
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8094079119656228
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.318160070272967
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.11963457137931614
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.3880775810730884
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.08955463469839763
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.15687823033683754
+O(Cc1cccc2c1cccc2)CC1CO1,0.8240476056329673
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.5937781155010018
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.8427059275777433
+O=CCC(C)C,0.2229582282002713
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8841208316371104
+OC1C=CC=CC1O,0.4961287223221512
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.2779580394312899
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.23261039500713998
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8662378034059418
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.11255467525696934
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7246516803760393
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.16501127512841968
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.08216248722771828
+NCCCN(CC)CC,0.18290657500581822
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.16068543764420942
+Nc1nnc(s1)S,0.4260882483988657
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.8406486606412575
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.10010303803516905
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.21587705823144895
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8643117348694521
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8678653499647581
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.43194168296013224
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8234429355418027
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8741294642819164
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.8299282052041113
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.1662828041698663
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.6468224085858859
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.7697086284895078
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.8923423297713301
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.709092654750311
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9079078030261764
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.22040723450929517
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.20217632666229735
+Cc1cc(N)c(cc1N)C,0.6918243171418751
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.5516759093168859
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.4779609925229353
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.5752509412427895
+CCc1cc(cc(c1N)CC)c1ccccc1,0.6276278882179688
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.6876106133385002
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7970404436654852
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.21164337224125987
+OC(=O)/C=C/C=C/C(=O)O,0.23951961102120162
+OCc1cccc(c1)Oc1ccccc1,0.4810681829247412
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.39360328764764085
+C1CC2=CC3C(C=C(C1)O2)O3,0.4191845898386911
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.8848632140985454
+CCN(c1ccc(cc1)N)CC,0.4174504971887586
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.22336242719743446
+O1C[C@@H]1Cc1ccccc1,0.7401320762870176
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6685706522778408
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8967256102140994
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.8146402958918425
+Fc1c(N)cc(c(c1Cl)F)Cl,0.35245869192714663
+O=C1C=C(O)c2c(C1=O)cccc2,0.6896922129687983
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.879963759309459
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.08041814703018084
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.8964355744398356
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8423023927685241
+C=Cc1ccccn1,0.3011832430300414
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.6310590765060523
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.4504025785039851
+Clc1cnc2c(c1)cccc2,0.48087775045688463
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.5216378813399134
+[O-][N+](=O)c1c(N)cccc1O,0.5642282141333109
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9211297336793373
+OC(=O)/C=C/C(=O)O,0.1279895656836883
+[O-][N+](=O)c1ccc(c(c1)C)C,0.7047583368869149
+ClC1=C(Cl)C(=O)OC1,0.7603616334283572
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.14991428167149595
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.1449769679286525
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.15177215532885457
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.3310524544845681
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.23843933742487955
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8705048790919114
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.29563906311565763
+CC[C@H](N)C,0.1691958477001329
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.5481991290252816
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.3707824785191715
+COc1ccc(cc1)N.Cl,0.6180950608666078
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.8864475857080081
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.34366119053710414
+Clc1ccc2c(c1)nc([nH]2)C,0.497876715871643
+OC1C(O)C=Cc2c1cccn2,0.26129009269552916
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5031765167640752
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.10452621313395247
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.14574924888493548
+CC(CC(O)C)C,0.09057485361810075
+OCCn1c(CO)ncc1[N+](=O)[O-],0.6554815961391699
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.2413540556059815
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.1392974865300117
+O=C1C=CC(=[N+]=[N-])C=C1,0.6041956328599165
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7515795361338138
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.34081214109876135
+c1ccc2c(c1)Sc1c(N2)cccc1,0.6504773598344714
+Cc1cccc(c1O)C,0.18966418761713624
+C=CCOC(=O)c1ccccc1N,0.31157683286844146
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.6877306563208994
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.6383076969793348
+O=Nc1ccc(cc1)C(=O)C,0.728326060839274
+CN(CC(=O)O)C.Cl,0.21073331896661768
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6302035027736677
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.1592798570672042
+CCOC(=O)C[n+]1csc2c1cccc2,0.3376573240163446
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.15224486297933168
+O=C/C=C/c1ccco1,0.2561995955313047
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.298648192358054
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.3429539516374277
+Fc1ccc2c(c1)c1ncccc1cc2,0.8590697648224129
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9230288136741351
+O=C1C(=O)c2c3c1cccc3ccc2,0.6547717399573336
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9033873312543393
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.6091115902158816
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.107140316797101
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.8246902150516642
+CN(/C=N/c1ccc(cc1C)Cl)C,0.48396668750615546
+O=C/C=C\c1ccccc1OC,0.3241333010913589
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.8926790679439924
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.18542728850454301
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.38324830042545843
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.1034597931877463
+CCCCCCCCCCCCCCCCCC(=O)N,0.11340386623501524
+OC(=O)c1cc2ccccc2cc1O,0.3836305506571307
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.7291663933522599
+ClCC(CCl)(CCl)CCl,0.4617175199326006
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.21415886168653164
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.2179980513297947
+O=C/C=C/c1ccccc1Cl,0.45921353268292975
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.6083626304641412
+Cc1ccccc1N,0.6467311122726375
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.13232473630125724
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.15630666415862474
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7693158632643443
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9116006728042602
+O=NN(Cc1ccc(cc1)Cl)C,0.7871973790358858
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.109217079117538
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.6323339828362745
+CCN=[N+](C)[O-],0.5169465921487816
+CCOS(=O)(=O)C,0.5414243987866124
+NCCC(N)C,0.1476683616382879
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.10599138410950502
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.6128376045743057
+C=CC(=O)OCCCCCCOC(=O)C=C,0.19264542292634781
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.6922155124833343
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7647666010380281
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.7657068024116298
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.6574726995235893
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.1514128098291866
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6868629111582716
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.5309108614690528
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.8523636669747491
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.1365205954534237
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.22585782326539222
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.896792261412651
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5669037129211574
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.310434292594251
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.902432981554729
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.7382578132284725
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.8536604807436491
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7773206630243926
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.7738246544153785
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.11188463651927617
+CN1CCNCC1,0.28761530242190914
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.33230540709513
+C1CCC2C(C1)c1ccccc1CC2,0.4571796105795603
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.4089423227407273
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8888134478212353
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.32778800077169146
+O=S1(=O)OCCCO1,0.650155320641055
+NC(=O)CN1C[C@@H](CC1=O)O,0.3470460058494788
+COC(=O)Nc1nc2c([nH]1)cccc2,0.46264718892795154
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.8280539257669292
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.2599405188977757
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6994945071434014
+CC(CN(CC(C)C)N)C,0.22214719681788594
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.8523722052660183
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.4607250027730302
+Clc1ccc(cn1)Cl,0.31438962965638734
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9118363107973643
+Fc1cccnc1,0.4134130798492608
+COc1cc(N)ccc1NC(=O)C,0.4024750535296288
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.40403408912641525
+OC(=O)CBr,0.4480159437363617
+O=S1(=O)CC=CC1,0.4015003752273774
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8626883725869237
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6716655983572708
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.12574209159308491
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.2974034595288061
+NC(C(=O)OC(C)(C)C)CN=N#N,0.6250219806999465
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.391647421231856
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.6052281819109979
+CC(C(CCl)Br)Br,0.832756156654534
+CCCC(=C)C=O,0.30719521805809413
+O=Nc1ccccc1C,0.485766251933512
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.6661563184149222
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.31440731393574006
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.09181582407429675
+Oc1cc(Cl)cc(c1)Cl,0.12448097898847288
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.4003420701419648
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.2611754510944312
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.16551507244936609
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.3639642813453408
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.8386321025074629
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.16390678340359813
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.31410074550270195
+C/C=C/C1OC(=O)C=CC1O,0.27524417804949364
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.8612386090423251
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.32143217822797626
+O=c1oc2c([nH]1)cccc2,0.3039076562809354
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.7565296352391792
+Oc1ccccc1c1ccccc1O,0.5234134897480468
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.11734086891836887
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.17755305615251485
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.656374406124369
+OCCOC(=O)C=C,0.3739826133873525
+OCCCc1ccccc1,0.23932993638903807
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.3981944355088815
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.24453026880201537
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.17733015169828084
+CC(=O)[C@H](O)C,0.29881994899213377
+NNc1ccc(cc1)C(=O)O,0.4864881984997444
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7082325262766824
+CC(=O)NO,0.30609873976752294
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.4917438625430157
+OCC1CCCO1,0.304753065943895
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.20290973286929276
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9115918211664735
+O=C1C=C(N)c2c(C1=O)cccc2,0.6182279377778852
+CC(=N)S,0.2838209002233865
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.15662261215935688
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.42164003382646525
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.3133228652663373
+COC(=O)C1=C(CC)C(OC1=O)C,0.47515489494476687
+ClCC1=C(Br)C(=O)OC1,0.862439071489394
+NNc1nncc2c1ccnc2,0.6822513687513295
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.906013306307884
+O=C1OCC1(C)C,0.4336280849188853
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.8908973836438348
+Nc1ccc(c(c1Cl)Cl)Cl,0.3132024938398773
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.18460923193226972
+CC1CCCO1,0.2819127959426096
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.30387268703584874
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.30679119078591266
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.16294347927035885
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.18543634097445147
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.7242706568170415
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9186843441397776
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.5986231247097307
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.14584675000737463
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.6200310585642462
+[O-][N+](=O)c1ccc(c(c1)C)N,0.8374217773693318
+C/C=C\c1ccc(c(c1)OC)O,0.18293696022531308
+Clc1ccccc1,0.1835108955243365
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.599537472526847
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.21855047946205183
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.6003350345751207
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.40959731644092934
+CC(=O)O,0.21757824790587701
+Cc1ccc(c(c1)O)C,0.24715382746054712
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9267609674201145
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.7555437200952916
+CCOc1nc(ns1)C(=O)O,0.33111154602773774
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.13031345667113448
+CC(=O)Nc1cccc(c1)C,0.2989823611367439
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.28271614269741474
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.16202988700270976
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9212727753341622
+BrCC(=O)NCc1ccccc1,0.559189705316277
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8882666334147247
+O=C(OC(C)(C)C)CN=N#N,0.602808642748328
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.8890318171308366
+BrCCCCCCCC(=O)O,0.4316849147604513
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.21379518232754702
+N#CCc1ccc(cc1)Cl,0.37871701021693416
+CCN(N=O)CC,0.6900339122893879
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.894809323106663
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.250207880936026
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.709051061256148
+O=S1CCOC(=C1C(=O)N)C,0.30845357888284325
+[O-]P(=O)(OC)O,0.28858048852797114
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.6520579415340385
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8605703505641343
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.116055251425068
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.2946568195270915
+NC(C(=O)NCC(=O)O)CS,0.6304986838345122
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.23133811724046083
+Clc1ccc(cc1)Br,0.19229332614478156
+CCN(c1ccccc1)N=O,0.759370743847411
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.8797288306212439
+O=C(c1ccccc1N)OCCc1ccccc1,0.3548652048056
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.14282452384877048
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.6866274685475718
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.9133988825546143
+OC1C=CC2C(C1O)O2,0.6898295766032346
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.734405879216744
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.46164323153114456
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8264519360067217
+C=CCN(CC=C)N=O,0.6728788288656027
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.8781563975057426
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.40872926407383514
+Oc1c(O)cccc1O,0.27289865697756394
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.66574255593874
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.08313875092371248
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.45146698466033147
+N[C@@H]1CCC[C@H](C1)N,0.15919247256054259
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.10672431270567051
+Nc1cccc2c1cc1ccccc1c2,0.9132647550611023
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.15587412902512388
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.3968197950823253
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.3093456067956601
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.82930892938343
+[O-][N+](=O)c1ccccc1C,0.5673236743209485
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.1969712435373558
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.17884712009999512
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.228425224689549
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8951114780569277
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.19268163484241116
+Cn1nc(c(c1)C(=O)O)C(F)F,0.31180024503702153
+ClCc1cccnc1,0.4489950007759807
+O=c1nc[nH]c(=O)[nH]1,0.5547472183664979
+OC(=O)C(F)(F)F,0.25566302755222015
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.838257441857492
+COc1c2cc3OCOc3cc2nc2c1cco2,0.8637272112037758
+Nc1ccc2c(c1)cccc2,0.6774526376666241
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8182198743211252
+CNC(=O)ONC(=O)NC,0.48430920238249064
+c1ccc2c(c1)nccn2,0.3751630757003265
+[O-][N+](=O)c1cccc(c1O)N,0.5966848764177702
+CC(=O)N(c1ccccc1C)O,0.384218316641019
+O=C(Nc1ccccc1)CC(=O)C,0.21381957405624724
+ClC(=O)c1ccccc1Cl,0.40972774621977964
+Nc1ccccc1S,0.456996558631779
+N#CCCC#N,0.3271575514231539
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.07868151825277984
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8472626346754986
+Nc1c2ccccc2nc2c1cccc2,0.8739399239414359
+[S-]C(=S)NC.[Na+],0.5629442385814715
+C1CCO1,0.34889726415009736
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.7001971043956492
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.2885688913003624
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.22078366692264373
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.6884284077491217
+Oc1nsc2c1cccc2,0.3155097916697475
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.8702661113486189
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.6232110468143394
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.2524382000821273
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.09919370739448306
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9084626448368376
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.27583916715535167
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9107288861637334
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8983761609704911
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.2062543288314881
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.10416702142193703
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.16343741737763565
+COP(=S)(OC)OC,0.32784094821086274
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.22550896650953578
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.2725772789746924
+CC(=O)NNc1ccccc1,0.5496306498553533
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.12072238382942167
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6662242487855184
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.2522781899481148
+c1cccs1,0.2996638176541912
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.6698414088676974
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.901862786498664
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.8449606299418927
+CCCON=O,0.8444271875746858
+Cc1ccc2c(c1C)cccc2,0.4847858906516102
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.8862939368599053
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.4587702349081215
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.8301570311974596
+ONc1ccc(c(c1)Cl)Cl,0.3583226042189586
+C1CCCCNC1,0.24217694778229845
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.8917850091422607
+Fc1ccccc1,0.2862042613592894
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.14233056080859072
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.09310998129609256
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.2775810888254574
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.09545995643638008
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.2341042745723737
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.7992633447106701
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.10906182118590625
+Nc1cccc2c1nc1CCCCc1c2,0.8487773352251786
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8110540045236605
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8800468827366013
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.48676438211385287
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.3745041218326865
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.8564444422955964
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8821579786561878
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.823541316917355
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.7064205287174996
+[O-][N+](=O)c1ccccc1C(=O)N,0.755697412193703
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.37021887248166735
+ClCC=C,0.7792376052342377
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.7703044173030164
+CN(CC[C@@H](N(C)C)C)C,0.2083400024692871
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.6961423104755287
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8854359349569934
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.16947181811488
+Cc1ccccn1,0.1561998557391902
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.4614914275618076
+Clc1ccc(c(c1)Cl)Cl,0.17156151203979644
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.36616028342724055
+Cc1c(N)ccc(c1C)N,0.6986794512772545
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7896138905400756
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8521365575606118
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.7273733404597491
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9089989751095267
+CCCCCC(=O)OCC,0.15396791220916253
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.1094233159879763
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.7075316847679631
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7762906120739415
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.09496842604135827
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.11114027946037454
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.38091961962563253
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8503444350336913
+CCOC(=O)C(CS)N,0.3973561245927634
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.7550938865294019
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.8101122881855878
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.5323997109124948
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.3593615638344772
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.5653806217761953
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.3508236950442881
+ClC(=O)c1ccccc1,0.3464495454528747
+CCCC[C@H](COCCC#N)CC,0.19139842405651203
+Oc1ccc(cc1)Cc1ccccc1O,0.48194682126713734
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8789518713018941
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.11465473620246161
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.6039201887812379
+Clc1cccc(c1)[N+](=O)[O-],0.7563528806252107
+CCCCCc1cc(O)cc(c1)O,0.1773231333663953
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.17192704527405542
+Cc1c(C)ccc(c1C)C,0.21545255965891308
+[O-][N+](=O)[C@@H](CC)Cl,0.5459265710717716
+NNc1ccc(cc1)[N+](=O)[O-],0.8725225126617717
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.33634997269286027
+OC[C@@H]1SCCN1N=O,0.7873960785173525
+CC1(OC1)c1ccccc1,0.6251074787850031
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.16123185087722444
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.08811494187275043
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8961509904064043
+CC(C(=O)N)Br,0.6516303986150815
+O=Nc1n(C)cnc1c1ccccc1,0.745581564001207
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.279528898059705
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.5359950712901139
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.1292223337076639
+OCC(C(C(C(C(=O)O)O)O)O)O,0.2632716983190303
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9214095821968188
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9021056526822545
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.3110796789841644
+Cl[C@@H](C=C)CCl,0.7722030792392379
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.44838824152273893
+CCCCCCCC[C@H]1CO1,0.19756486052360323
+Sc1nc2c(s1)cccc2,0.3994964430049813
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.5908431463326418
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.3892348785030569
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.5653851246809041
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8156158409751406
+BrCCOC(=O)C(=O)OCCBr,0.6022438007849809
+Clc1ccccc1Cl,0.24113962868207406
+Nc1cccc2c1c(O)nnc2O,0.5462904986608905
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.8162556107570716
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.763460431201937
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.8858609531213665
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.4818464578675406
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8915567759713227
+O=C1CCCCCCCCCCCCCCO1,0.22252985442029258
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.888718049708377
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.8964523834574707
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.1299895437358063
+C/C=C/CC#N,0.2832353894982423
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.230884474386142
+Cc1nc2c(s1)cccc2,0.40553700820355937
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9053285807005291
+BrCC(c1ccccc1)Br,0.42006020785525766
+C=Cc1ccccc1Cl,0.29326520618233487
+Cc1cncc(n1)C,0.23085246958960567
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.12474770536966974
+CCOc1ccc(cc1)NC(=O)N,0.3587752811747641
+ClC(=C)C=O,0.6721765364808923
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.09053259741869317
+CCCC[N+](=O)[O-],0.3889895988399736
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.44404477438814954
+Nc1ccc(cc1)N,0.6275195752574984
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.12611109204338575
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.18365580114017413
+ClCCSCc1ccccc1,0.5009792387840908
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.8714983190338618
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.8751699205680107
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.07791445559667941
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.6076034474019681
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7926726643941989
+NC(=S)NNC(=S)N,0.4227295269312385
+OC(=O)Cc1cccc2c1cccc2,0.3552785981815414
+CC(COC(=O)C(=C)C#N)C,0.29128160950037113
+CC([N+](=O)[O-])(Cl)C,0.5859593732259102
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.8075009144232275
+OCCN(C(=O)OCC)N=O,0.7215895099132454
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8500194821764713
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.869492689545899
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8419183424803396
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.8488051474400361
+CCC(=O)Nc1snc2c1cc(C)cc2,0.38576039335073437
+CCCCCCCCn1sccc1=O,0.2390817887993436
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7817109459255402
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7970657837780349
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.5737462383420575
+COC(=O)COc1ccc(cc1Cl)Cl,0.29778930229154504
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5623684603162888
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8811497939631681
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.5292460417820197
+CC(Nc1snc2c1cccc2)C,0.34891052420053426
+ONc1nc(N)nc2c1[nH]cn2,0.6781395974806194
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.8506794770827656
+C1CCC2(CO1)CO2,0.7440844187726011
+O=C1c2ccccc2-c2c1cccc2,0.5841918886083642
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.1547954765003676
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.3401114178483397
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.16342774859016315
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.375070725182249
+CCCCOC(=O)c1ccc(cc1)O,0.1798392616164317
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.3605639658278098
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.8472990126374591
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.1678750688164602
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.4309526779440731
+ClC[C@@H](CBr)Cl,0.8266336513763695
+Clc1c(Cl)cccc1Cl,0.17588702769243605
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7963333407832877
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.12255296014214924
+FC(OC(C(Cl)F)(F)F)F,0.23340107511225933
+OC(=O)c1c(Cl)cccc1Cl,0.14088875769740877
+C/C=C/c1cc(OC)c(cc1OC)OC,0.4736510263956758
+Oc1ccc(cc1N)S(=O)(=O)C,0.20765096999673857
+CCC(CC(CC(Cl)C)Cl)Cl,0.37648182603297775
+O/N=C/C(=O)Nc1ccccc1,0.4666430976583664
+O=S1(=O)CCCO1,0.540484417983486
+O=C1NCC(=O)N1,0.44782838394346225
+CCCC(=O)C,0.18267080044485126
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.2823020413472088
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8843832599611576
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.8133214697738229
+CCOS(=O)(=O)OCC,0.4078464263820477
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6224211913773994
+N[C@@H]1CC[C@H](CC1)N,0.2307729385681193
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.5485019755498676
+Oc1cc2ccccc2c(c1)O,0.4240385941186348
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.7220795150803281
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.15492437684538388
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.5753431301341478
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.23026616217699364
+O1C(C1c1ccccc1)c1ccccc1,0.48809107490538167
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.5376626749508302
+O=C(C(Br)(C)C)Nc1ccccc1,0.2724486333493872
+COC(=O)C(=C)C,0.36794648447598116
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.5619757293837067
+COc1ccc2c(c1)sc(n2)N,0.7249935886053176
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.8933674913678299
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9306695895458218
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.8933183333350087
+CN(N)C,0.2107097827988412
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.7008978411799066
+CC(O)(C)C,0.15131918127357558
+BrCc1ccccc1[N+](=O)[O-],0.6434750661501785
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.37384613997456717
+BrC/C=C\CBr,0.7228405221985809
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.6110361687338901
+[O-][N+](=O)c1ccccc1O,0.5469444844777263
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8497857809713721
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7196112289532671
+[O-][n+]1c2ccccc2nc2c1cccc2,0.6690256951677372
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.22226402712930932
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.7616810946612496
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.2301808814742634
+CCc1cnccn1,0.2821142556051241
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.46030678121467966
+OCC=O,0.4348853276931877
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.8203765970803043
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.42939846561862843
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9038928382078676
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8764137761196938
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.6631523736410642
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.5810527404360487
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.6237057918401409
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.8659134984541801
+Nc1cnc2c(c1)nc1n2cccc1,0.7786699305544128
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.23327934549541526
+CC(=O)OCc1ccco1,0.3451971241783374
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.8578867242089684
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.811859820251679
+CN=NO,0.8208747471562042
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.3374526580658561
+c1ccc(cc1)c1ccccc1,0.2677836732949812
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.871492982807334
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8743517872066037
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.7539728074490604
+CC(CN(CC(C)C)CC(C)C)C,0.15392919194761584
+CCCC[C@H](COCCCN)CC,0.15270356540148863
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.21133027093478562
+C=COC(=O)C=C,0.32062801529715407
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.8768408547498285
+O=NN(C)C,0.6727042558498135
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.22790972246884622
+CC(=O)C(Cl)(Cl)Cl,0.6797154379402862
+Cc1cc(ccc1N)c1ccccc1C,0.7443268496425292
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.585059650841738
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.4891974393760355
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.18899102603212944
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.6791166052495277
+CC(c1ccccc1)CN=N#N,0.7893267927215593
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.7503593553011803
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.3705580448199482
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.10558715950770399
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.8976271716165521
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.2979905098046429
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.13657104012442445
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.14296394504711663
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.8512423116299517
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.39710850176126894
+CCCCCCCCOC(=O)C(=C)C,0.10344448684590936
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9125656044782401
+CCCCCO,0.17398722262825603
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.6277727014452822
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.16189580324077468
+N#N=Nc1nc2c([nH]1)cccc2,0.7367115421329354
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.1720954150856577
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.16909741982537732
+OC(=O)CN(CC(=O)O)CC(=O)O,0.12538944687602116
+O=NN1CCC=CC1,0.8388887077324991
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.8011817337520774
+Cc1cccc(c1)[N+](=O)[O-],0.578927783918657
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.47810867784136485
+ONc1ccc(cc1)/N=N/c1ccccc1,0.8401635050231203
+NC(=O)/N=N/C(=O)N,0.6253195988332506
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.5533145209040978
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.8110656412776
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.39702345053335075
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.833358794504013
+Nc1ccc(cc1C)S(=O)(=O)O,0.1504968181264715
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.6141032742740534
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5411324626394808
+CN[C@@H]([C@H](c1ccccc1)O)C,0.1627131753838794
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.2872549576236215
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.802720539277143
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.7896654889301385
+OC[C@H]([C@H](CO)O)O,0.28008455462817294
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.47081381862920973
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.8921788202285704
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9191963041760866
+Cc1nsc(c1)N,0.4944867774647843
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5711830454924621
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.6568802461059837
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.5123278850564904
+ONc1cc[n+](c2c1cccc2)[O-],0.7144899913202232
+CCOc1cccc2c1nccc2,0.5579123901912343
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17730212230036868
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.5348004599911459
+FC(C(F)(F)F)(Cl)F,0.17285661523136284
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.23984458212125087
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.8961359197972693
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.10407933357974568
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8568561228497369
+ONc1ccccc1c1ccccc1,0.6671781050733727
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.8112741755689623
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.3881932936057194
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.14408102902739167
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.7178290141794271
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.4470926438643241
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.35777625333020296
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.1817465217104528
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.1608645880698314
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.2780765580427124
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.19860384852186203
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.8301784213427474
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.588197878578491
+O=C1NS(=O)(=O)c2c1scc2,0.2953192539260884
+Cc1ccc2c(c1)cccn2,0.6239030652015819
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.5762128969703362
+Oc1ccccc1c1ccccc1,0.5751262519052242
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.13969261512159215
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.3204862497105293
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.13384423301826937
+CCCCC=O,0.26051304887966137
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.910898464004954
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.737068876812269
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.8644504837670466
+Nc1ccc2c(n1)no[n+]2[O-],0.7034807371827753
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.1500157348716629
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.4884936739849193
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.13743162133657882
+OCC(C)C,0.19577568572372647
+CC(C(=O)Nc1ccccc1)Br,0.632978627273683
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.7441146068826896
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.8049282845856586
+[O-][N+](=O)c1ccc2c(c1)csn2,0.7841166443567702
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.09695540472854763
+COc1ccc(c(c1)OC)N.Cl,0.669357811234167
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.507526102142623
+Nc1ncnc2c1nc[nH]2,0.6066174069959787
+OC(=O)c1ccccc1C(=O)O,0.21130107112943677
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.7488768892111317
+CCCCOc1ccc(cc1)CC(=O)NO,0.40502791946003264
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.8484345739160039
+COc1ccc(cc1N)[N+](=O)[O-],0.8590362975914464
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.6689944494617778
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8386053113976107
+c1ccc2-c3ncsc3CCc2n1,0.6285896088088098
+O=CNc1ccccc1,0.31125702475635153
+OCCN(CCO)CCO,0.22951495606761943
+CC(C(=O)Nc1ccccc1)C,0.3059471518211625
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.1767588863606063
+CC1CCCC1,0.1983877718095119
+C[C@H](CBr)O,0.6901706411625993
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.1810504000162029
+OCCN(c1ccc2c(c1)cccc2)CCO,0.4829719199938087
+CC(OOC(C)(C)C)(C)C,0.269850813340181
+C1CCCC2C(CC1)O2,0.21453392405743088
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.5655315237774977
+N#Cc1ccccc1[N+](=O)[O-],0.7450352657304545
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.8367650095964234
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.3380125767379863
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.5856840842668859
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9067424849151083
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.7667800832720236
+CC[C@H](OS(=O)(=O)C)C,0.6569088344753735
+CCCCCCOC(=O)C=C,0.13857174666425834
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.30763478764832747
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.2163784373576319
+CCOC(=O)[C@@H](O)C,0.33592226625668536
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8680320081786096
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.8255885471104061
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.3320612549420624
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.16434852091039423
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.1876386754894782
+NCCCl,0.7082001045407288
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.8305728511146121
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.22826168736998256
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.2556510868516637
+OC(=O)C(Oc1cccc2c1cccc2)C,0.3676178446210185
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.2903022715319036
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.2621751997403736
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.8478756867025617
+OC(=O)C(CCS(=O)(=N)C)N,0.17485313242192196
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.5704865404911351
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.15590828067828008
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.30499295012052213
+CCC([N+](=O)[O-])CC,0.3774881271704877
+CCN(/C(=N/O)/C=O)N=O,0.7789264584421918
+CN(N=Nc1ccccc1)C,0.7676744253128529
+NC(=N)NC#N,0.35397035312590924
+OCc1c(CO)cnc(c1O)C,0.23654347761014816
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9023796913145369
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.5934307429633626
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.6750424559143848
+COC(=O)C(Cl)Cl,0.5989029699891804
+CC(Br)(C)C,0.19675390626200975
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.5923833880215211
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.26884472678464116
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.903581694412252
+CCCCCC/C=C\CCCCCCOC(=O)C,0.14976375455705176
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.3921292919833793
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9105862205497325
+CC(=O)Nc1snc2c1cccc2,0.4709713877955036
+Cc1ccccc1,0.13229232244005987
+CC(COC(=O)Cc1ccccc1)C,0.20834006503146651
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.4490587602866435
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.651308705031021
+Fc1ccccc1c1ccccc1,0.4963089580858232
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.6207654868399977
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.8344802347811805
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.44366570467107225
+Clc1ccc(c(c1Cl)O)Cl,0.1503181034163691
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.636977081816638
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.6912006470838712
+CCCC[C@H](COC[C@H]1CO1)CC,0.30319268456428394
+Cc1ccc2c(n1)cccc2,0.5144957642062202
+Nc1nc2c(n1C)ccc1c2nccc1,0.8849162323458908
+CCCCOCC=O,0.3723895700412966
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.1868256692527422
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.5023689852996349
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.29072436269006435
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5707765315311529
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.18045375531048327
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.8994846258640206
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8503479806031539
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.39430679051285555
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.2763337757480468
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.14257052716072835
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.8915467352311703
+Clc1cccc(c1)C(F)(F)F,0.20501449834236013
+CCOC(=O)c1cccc2c1nccc2,0.4623802557882376
+O=C/C(=C\c1ccccc1)/C,0.30078375228468934
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9071449555517964
+ClCCOC(=O)C=C,0.5299922508644582
+OCCN(C)C,0.23856922394022181
+N/N=c/1\sc2c(n1C)cccc2,0.659711480015045
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6650337672301344
+NCC1(C)CC(N)CC(C1)(C)C,0.14228804781955137
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7675878534013401
+O=Cc1ccccc1,0.27718618106458426
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.3044035216971923
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.4355160434872949
+BrCC(CBr)Br,0.693911308995679
+Fc1cccc2c1cccn2,0.603391789307653
+CCCCCCCCCCCCN(N=O)C,0.43578632725220456
+O1CCN(CC1)SSN1CCOCC1,0.4250138232615187
+O=NN(C(C(=O)C)OC(=O)C)C,0.7892187867612889
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.6137619969448412
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.1365932737247766
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.3434101869874336
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9227202884622282
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.17537798943307037
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.3620576597067973
+C/C=N/N(C=O)C,0.7338374549218827
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.34031058234650496
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8297555123426921
+OC(=O)CN=N#N,0.5772506584478362
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.9068896124634208
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.1198706267039233
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.8951380244217272
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9148646609810169
+OC(=O)c1ccc(c(c1)N)C,0.30440049700918026
+CCOc1ccc(cc1)N(C(=O)C)O,0.44669464717958524
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.8254708305590707
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.5692887971871815
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8021317148034284
+c1ccc(cc1)CN1CCN=N1,0.7019450436268535
+CCCCN,0.16382200228777902
+CCN(C(=N)N[N+](=O)[O-])N=O,0.8201574138530747
+Cc1c(C)cccc1O,0.24321520268857358
+OC(=O)c1ccccc1O,0.14862242611208482
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.11362307190624013
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.3256537485639641
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.1913414486675116
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.6592998277517197
+Nc1ccc2c(c1)c1ccccc1cc2,0.9048654018235031
+n1ccc(cc1)c1ccccn1,0.6009598365793355
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.1195990319850389
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.6259409721320475
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.13019370886399895
+CC(CCCCCCCOC(=O)C(=C)C)C,0.10245656384929952
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.29450940214246707
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.4912817030302527
+NCCS,0.39594125289297016
+C[C@@H](c1ccccc1)Br,0.2292328429922394
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.4037641830957597
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.88627577864477
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.7408956524485749
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.8508083520265725
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.780360863400318
+O=NN(C(=O)O/N=C(\SC)/C)C,0.7473216837963779
+CC(=O)Nc1ccc(c(c1)N)C,0.37969028444320896
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.3945692321669288
+OC(=O)CCCC(=O)O,0.17864332508859287
+O=c1[nH]cnc2c1cccc2,0.3168155320006898
+N#Cc1ccccc1C#N,0.27116822581305355
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.40163933693896436
+Cc1ccc(cc1)C,0.15659906804120366
+CCSCC[C@@H](C(=O)O)N,0.29091824511142195
+Cc1ccc2c(c1C)c1ccccc1cc2,0.89530099016571
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.3765989467248291
+C/C=C/c1ccc2c(c1)OCO2,0.40070325374501914
+OC(c1ccccc1)CN=N#N,0.7242965726941959
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.896252489342649
+CC(CNCC(C)C)C,0.1425792871472022
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9039083077147316
+Brc1cccc(c1)[N+](=O)[O-],0.5142357111336227
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.3726344514048479
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.872871016866164
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.12176310158028862
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9075164038762399
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.7693353184857642
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.12887117707371046
+c1cc(OCC2CO2)c2c(c1)cns2,0.8406856257167961
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.39998231732286554
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.8166479543797724
+CC(=O)c1ccco1,0.3433974906075187
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.15160710862859528
+OC(=S)c1ccccc1,0.25776521336450825
+C[C@H]([C@@H](CCl)Br)Br,0.8161170390915733
+Clc1ccc(cc1)CC[C@@H]1OC1,0.7386583375862983
+Clc1cccc(c1)NC(=O)N(C)C,0.27309032631798347
+O=NN(Cc1ccc(cc1)F)C,0.776550004267271
+BrCC(=O)c1ccccc1,0.40617704648645614
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.39661235476619217
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.7843968336257449
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.3249151137787672
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.6040330068210126
+NC(=O)NNC(=O)N,0.4150253991459757
+OCc1nc(N)nc(c1)C1CC1,0.4350267227140555
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.6241351849081428
+O=NN1C[C@H](C)C(=O)NC1=O,0.7397461522737485
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.2852922875738072
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.8556688877410829
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.8727458655196281
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.8332608036907968
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.8698948442461943
+CC(Br)C,0.3137562378545135
+CCOP(=O)(OCC)OCC,0.24228374092372135
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6610437883743647
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.7181161129604535
+O[C@@H]1COC(=C(C1=O)O)C,0.4788266280205506
+Nc1ccccc1O,0.5268753762263532
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.13940243208862185
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.49298379741922926
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.7948688733379048
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9335768958288316
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.1391413330285889
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.12734101053573096
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.7547124183834087
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.7656213585401115
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.11238054023791472
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.6135333046286603
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.898592516665471
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8373182276578666
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.18494603955222697
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.7873711354510078
+O=Cc1cccc(c1)Cl,0.2848040791877938
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.2497960541600735
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.420126077933274
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7918643565745181
+N#Cc1c(Cl)cccc1Cl,0.2696399588170086
+OC(=O)C[N+](C)(C)C,0.20954996564591624
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.5023689852996349
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.43254501957598857
+Cc1ccncc1,0.15955301386326887
+COP(=O)(NC(=O)C)SC,0.24892029063596255
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6970499587537896
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9197313075688391
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.3996834729399168
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.8575606269580744
+OCCN(N=O)CCO,0.592683307253236
+CCCN=NC(OO)(C)C,0.716629460091966
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.28887987980896884
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.21608263683774348
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.508127024031617
+Cc1ccccc1OC[C@H]1CO1,0.8142614518989317
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8133238997806829
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.2870277956284183
+OCC(C(CO)O)O,0.28008455462817294
+BrCCCBr,0.6224502364464461
+C1OC(=O)C=C1,0.4563213030651671
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.13333383383931907
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.2872555639652963
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.3917200663403713
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.6090800354919539
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.1919659242973045
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.21314462291036976
+NNc1scc(n1)c1ccc(cc1)N,0.7800177802311866
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.8925953334422154
+COc1cccc2c1nc1occc1c2OC,0.8604406437685966
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.18757853498424923
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8756482278031859
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.5765202059736991
+C=CC=C,0.350240538548147
+OC(=O)Cc1ccc(cc1)Cl,0.2133435853961566
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.7255028953967518
+Clc1cccc2c1oc1c2cccc1,0.637618131337546
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.13254927801928829
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.7862771738668299
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6231807182799634
+O=C/C(=C/c1ccccc1)/Br,0.4468253732843341
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.1943543622913877
+COC(=O)N,0.3740589164114612
+OC/C=C(/CCC=C(C)C)\C,0.08768822150323131
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.4726174516290053
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.2904950334727436
+Fc1cc2cccnc2c2c1nccc2,0.7740502877317442
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5193158625006834
+OC/C=C/c1ccccc1,0.26687762998583814
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.14048898283733716
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.8919521451475088
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.7370345856193243
+O=Cc1ccc(cc1Cl)Cl,0.2638656595217592
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.35189130572730726
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9082506173158535
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.15996605400662628
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9237657562629749
+CCOc1ccc2c(c1)sc(n2)N,0.5772909660482899
+C1CCNC(=O)N1N=O,0.8531470758691095
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.1322423608008632
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.7741739805635365
+OCc1c2ccccc2c(c2c1cccc2)C,0.7649926947210899
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.1328866363984472
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.759668232676734
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.3306044093313124
+O=Cc1ccc(cc1)O,0.23575781210163227
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.16443088659591257
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.8109583791805965
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.18549843011101505
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.8898638788812482
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.2525462331879227
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.17484564780852793
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.20797091772005463
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.10436389360690614
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.13642953157656962
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.7707079652353153
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.29598632760062443
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.760293950576651
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.8727134620757699
+BrCC1=C(Cl)C(=O)OC1,0.8496448180184759
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.7711228149239018
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.7148926794799985
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.2698977625426591
+O=CN(C(=O)N(C)C)C,0.4004024175202119
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.879628637832345
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.6689091441063979
+OC(=O)[C@H](Br)Cl,0.7461091006095196
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8637753114077779
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.4253016512663745
+C=Cc1ccc(cc1)[N+](=O)[O-],0.7964994025780615
+CCCC(=O)OCC,0.22429040290945876
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9282187033664023
+ON(c1ccc(cc1)Cl)C(=O)C,0.36248653168533107
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8159262750298942
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.7869630942762424
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.3915154801090907
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.8826460723395492
+Clc1cc(Cl)nc(n1)N,0.2124583068744947
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.5922590882185103
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.7900963293083385
+O=C1C=CC(=O)c2c1cccc2,0.6145725466309229
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8022644473081061
+CCC(C(=O)NC(=O)N)(CC)Br,0.2921652373838483
+[O-][N+](=O)CCC,0.5195351442697594
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.6837911272054704
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.2015355135696426
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.5872254045365665
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9335404970054312
+ClC(=O)OCc1ccccc1,0.3668413723733837
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.8773582363764243
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6905473531988628
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.28158910156310324
+OC(=O)c1ccccc1Cl,0.12423759140742824
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.37456194220846634
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.2864170372564173
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.6469081342902748
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6549995814507865
+ClCc1ccc(cc1)C,0.23667869452617993
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.25665170695282036
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8568561228497369
+O=NN(CCCC(=O)c1cccnc1)C,0.7023249862853814
+OC(=O)c1ccccc1O.[Na+],0.14862242611208482
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8732787438380957
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.8058631732962414
+Nc1ccc(c(c1)C(=O)O)O,0.2641259406876284
+c1ccc2c(c1)nccc2,0.2939446887584123
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8134343846146403
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.603411817154287
+CCCCCC(=O)N,0.20933120052381368
+Cc1cccc(c1)O,0.15665871794026937
+COc1nncc2c1cccn2,0.45479551720219463
+C/C=C/c1cccc(c1OC)OC,0.3321952503725226
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.7045833330731021
+OCCCCCl,0.6126430549942011
+NCCNCC,0.2730195940684417
+CCc1nccc(c1)C(=S)N,0.48438540601748126
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.12313024337796802
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.8824082008835082
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.6479558413039641
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.7364462096073366
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.6550587626400182
+O=Nc1ccc(cc1)Oc1ccccc1,0.7822441988511334
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.30664722146390805
+C1COC1=O,0.4570209934922496
+CCC(C)(C)C,0.15992739991960472
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.12358342643710968
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.8696477582176333
+CC1=CC(O)C2CC1C2(C)C,0.12072697892106038
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7889889018434502
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.16802971982520506
+NC(=O)Nc1nc2c([nH]1)cccc2,0.42655589299385643
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.16611687391687746
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9148164799460841
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.8190558469585392
+CC1=CC(=O)c2c(C1=O)cccc2O,0.4484190621984964
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9186524070192932
+COC1=CC(=O)C=CC1=O,0.37098180952911625
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.3539104383934399
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.17141458365244985
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.3851011423845488
+COCCCN,0.30731004275451523
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6709549713934281
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.13568685315571727
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.6546208901240727
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.39257066457146833
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.2512035984597312
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8107211900841871
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.14239860327014114
+OC(=O)C(Cn1cncc1)N,0.3555553479416907
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.3268866618872954
+Clc1ccc(c(c1)N)N,0.6657301504293719
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.7287660808363787
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.414952160796981
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.7492861268768418
+Clc1ccc(c(c1)N)C,0.49547657887962654
+Nc1cccc2-c3c(Cc12)cccc3,0.8786641563950903
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.27129007948999123
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.12354825827610208
+O=C1CCCN1C,0.3673027134429574
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.1196053777593051
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.7333887433154891
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.808010912060588
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.1626749991327272
+Oc1cccc(c1)O,0.26073300671546673
+CSSC,0.4587682832952464
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.7301970775968849
+CCc1nn(c(c1Cl)C(=O)N)C,0.33896994044107365
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.1726310362581531
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.7443047454089866
+ClCc1cnc(nc1Cl)Cl,0.46308348039068464
+O=C/C=C/C(O)C,0.39256380765400506
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8870101394835741
+O=C1NC(=O)c2c1cccc2,0.2933399388329867
+C/C=C\C=O,0.6446510726855037
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.1641174370210148
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.6906315151793142
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.7289148535316032
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.9260628788686528
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13619139311004202
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.8772951507731195
+Cc1ccc(c(c1)N)N,0.8497790154839081
+CCN(C(=O)c1cccc(c1)C)CC,0.2622940110473977
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.1790217035546154
+C[C@@H]1O[C@H]1c1ccccc1,0.6184676475696806
+O=Nc1ccc(cc1)c1ccccc1,0.8127763965997897
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.4633356175626077
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.3138220534169074
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.3273572874607315
+CC(Cc1nccs1)C,0.2910744534527592
+O=CC1=CC[C@H](CC1)C(=C)C,0.16178394630748819
+OC(=O)CS.[Na+],0.2112703017086942
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.29509061797112823
+OC(=O)C1CC1,0.4359603989949587
+CC(C(=O)OC)CN=N#N,0.7844287488934024
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8777249587566974
+CNc1ccc(cc1)O,0.582437579417757
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.5358971385423453
+OCCCCN(N=O)CC,0.8966606994931531
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.605230783255839
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8856110376197104
+NCCCN1CCN(CC1)CCCN,0.30427309699522226
+CCN(N(N=O)O)CC,0.8542136148019435
+c1ccc2c(c1)Sc1c(O2)cccc1,0.47001873354631835
+OCCN(C(=O)Nc1ccccc1)C,0.325356674433753
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.6605241714252468
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8224696526807842
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.8887734423773395
+Nc1nc(N)c2c(n1)nc[nH]2,0.5578208841884214
+c1ccc[nH]1,0.21870785784999486
+CC(=O)OCc1ccc2c(c1)OCO2,0.43647424603929025
+c1ccc2c(c1)[nH]c1c2ccnc1,0.6616854395716937
+O=c1cc(n(n1c1ccccc1)C)C,0.4300413742314619
+Clc1ncccc1Cl,0.24221411569404705
+Cc1cc(N)cc(c1)N,0.43418528032360376
+Cl/C=C(\SCc1ccccc1)/Cl,0.4997323785951135
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.4511857304994706
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.7964015195589371
+OC(=O)[C@@H]1CSCN1,0.40260118317958843
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.670512271526959
+CCBr,0.5153789309204617
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.820245577447533
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.5523830269371869
+CCC1(C)CO1,0.41400411947716026
+CC1=CC1,0.44113892029640156
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.837288986457674
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8162153678908189
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.6683649979554087
+Nc1ccc(cc1)C(=O)N,0.4361485222203417
+O=NN1CCCCCCCCCCCC1,0.5013662892223142
+CNC(=O)C1=NN=C([CH]1)Br,0.44969806052280387
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9119765880883756
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.831420028942149
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.10554953840440735
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.14599142830793763
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.5954735543828442
+CCN(CC)N,0.3275180377828082
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.7045315238331782
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.1712212822838994
+Cc1cc(C)cc(c1)O,0.2069994930331069
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.7896330732115177
+OCCc1ccc(cc1)[N+](=O)[O-],0.7156110851885885
+O=C1CC(=NN1c1ccccc1)C,0.511730296452845
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.4986867608585277
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.8923500387843444
+Clc1cc(Cl)c(cc1Cl)Cl,0.18007077262529655
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9026892507194226
+C1CCC=CC1,0.22165649020090122
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9293198142687771
+CCCCCl,0.6354144484520156
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.5631523452054183
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8677155705292013
+COP(=S)(OC)Cl,0.38886444431463757
+Clc1ccc2c(c1)cccn2,0.413235708371681
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.4192578637269827
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.2756463235575925
+ClC=C(C)C,0.6077729486047366
+COc1ccc(cc1N)C,0.6211190190839075
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.7018013792939671
+c1ccc(cc1)NN=Nc1ccccc1,0.7877952383316881
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.4683364516447293
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.2257072988825069
+C=CC(=O)OCCCCOC(=O)C=C,0.24150212712982125
+ClCCCCN(COC(=O)C)N=O,0.8856127187416608
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9173491275682871
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9222861477269003
+CCc1ccccc1[N+](=O)[O-],0.6897281272418635
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.12545102661194965
+CCCCCCCCCC[C@@H]1OC1,0.12799407960638343
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.8735575566186851
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.3044035216971923
+C/C=N\O,0.6269226328057406
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.7298195607801458
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.2450807733878056
+CNC,0.2662372416618308
+CN1CCC=C2C1CCc1c2nc(s1)N,0.4817001339442914
+OCC=C,0.3628222293996471
+C1CCC2C(C1)c1ccccc1C=C2,0.5087870311832954
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8960038826775136
+[O-][N+](=O)c1ccnc2c1cccc2,0.8618417278524356
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.4439574999870832
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.3684338463079421
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.12165198514615876
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.28615174441053587
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.2914267666645955
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.1768067416986369
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.7998066879843252
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.41111281740833316
+O=NN(Cc1cccc(c1)C)C,0.7181760910250395
+ONc1ccc(cc1C)C,0.686214383835371
+ClCCOP(=O)(OCCCl)OCCCl,0.5288780826544262
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.7389986005551888
+Clc1cccc2c1cccn2,0.6161161631036333
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.6843403483374588
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.620860988126661
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.8979165454400981
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.11785022105535801
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.8773196253313669
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.19161777262303137
+BrCC(=C)Br,0.7855761217869374
+CC(=C)C(=O)OC[C@H]1CO1,0.600762668797159
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.16449359441121214
+C=CCc1ccccc1OCC(CNC(C)C)O,0.1241289849455999
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.4724614135451938
+[O-][N+](=O)c1ccc(c(c1)N)C,0.8625017710510025
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.17333760806912016
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.16908216724156946
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.3256100111134617
+CNC(=O)c1cccnc1S(=O)(=O)N,0.17727498116260537
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.11061409138124412
+CC(=O)c1ccccc1,0.18505748948605524
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.3866373497183663
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.9243033481587404
+Cc1ccc2c(c1)ccc(=O)o2,0.39346557644592556
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.2107406773792398
+NNc1nnc(c2c1cccc2)NN,0.6837911272054704
+CC(CC1NC(=O)CNC1=O)C,0.1670747818961596
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.6564498519505176
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.79833924509053
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.806419804715884
+OC(=O)c1c(N)cccc1N,0.2921106074343622
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9231952948244508
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.4498824784057811
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.36216696988592145
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.29618692557496223
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.2087600513761842
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.14726929646584214
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3223275853338556
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.10540910973535375
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9164548187367195
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.6426064345588777
+Nc1sc2c(n1)c(Cl)ccc2,0.5591867962130321
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.6592998277517197
+CC[S@@](=O)CCSP(=O)(OC)OC,0.4803209135773583
+CCOC(=O)CBr,0.5740836823526954
+Fc1ccc2c(c1)cccn2,0.5045626911743171
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.25603955378757476
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.27103174549749637
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.45945897832377836
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.5094036843559991
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.856489545386832
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.5802814381184914
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.09727022686389833
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.19863941281442396
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8671031290193415
+O=C(Nc1ccccc1C)CC(=O)C,0.18718108477551015
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.5433165976904724
+Fc1cc2ccccc2c2c1cccn2,0.8170017219965338
+CCCCCCCCCCCCCO,0.1078659988590462
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.2113900078667016
+CCCCCC(/C=C/C=O)O,0.20988951546977258
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.8446928214961746
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.47011646327976864
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8108215121042763
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.23235654955044893
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7982156701742867
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.7983870925630995
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.740526698974436
+N#CC(N=NC(C#N)(C)C)(C)C,0.35695279860931156
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.47180159055530607
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.49752319663905675
+OC(=O)CCCCCCCCC(=O)O,0.15363695527915422
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.885480019028095
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.635432044804969
+[O-][n+]1cccc2c1cccc2,0.500580948741347
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.27079245549444314
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.604072164897899
+COC(=O)c1oc(c(c1Cl)Cl)N,0.37571927638471947
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.3487816168260178
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.18799329884319216
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8540178492148636
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.1157175058595266
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7426786466012557
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.1648714143784141
+Nc1nc(NC2CC2)nc(n1)N,0.3604753569322926
+NC(=S)N,0.22817880349220016
+ClCC(CCl)O,0.7637289754409403
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.7164485077351707
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.11154012844980181
+CCOc1ccc(cc1N)N,0.6505471397922495
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.23788971674449122
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.4163824113118127
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.13191029483333264
+OCc1ccc(cc1)OC(=O)C,0.20743816305237936
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.2578327311818269
+O=NN(Cc1cccc(c1)OC)C,0.7215923480489248
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.4807729439147915
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.6948849986488679
+ONc1cc(C)ccc1C,0.5900785360674355
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.6728642317133102
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7857805161291632
+CN(C=O)N,0.42166112979907555
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.24502641013963508
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.5850768051433956
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.4830403324411228
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8998600396086128
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.14988407133524626
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.1896849268161965
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.8825751861729957
+O=Cc1ccccc1Cl,0.2728813314866977
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.7970055577369637
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.2621350206021744
+OCCCCCCC/C=C/C=C/C,0.18550644327488136
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.7272061856884798
+CCCCCCCCC,0.11710123712849427
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.8375456198352537
+CN(NC(=O)CCC(=O)O)C,0.4161167925389464
+O1C[C@@H]1COc1ccccc1,0.7877044537032429
+CC(c1ccccc1)Br,0.2292328429922394
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.22785079327523877
+COc1nsc2c1cccc2[N+](=O)[O-],0.8575517644268881
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.30162568970658016
+O=c1ccc2c(o1)cccc2,0.3710483901648758
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.8908659998254501
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.20984464025284855
+CCOc1ccccc1OCC1CNCCO1,0.25048383192184487
+OCCN(c1ccc(cc1)C)CCO,0.28229589864114774
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.46031661165176413
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8929177261456166
+OC[C@@H](CCl)O,0.6370690851791971
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8771654249317548
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.8122054581727574
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.5112845548903188
+N#Cc1cc(Br)c(c(c1)Br)O,0.3236492779142137
+Cc1ncc2c(n1)CCC2,0.32687960196535326
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.21676208871629
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.7164034001379818
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.13229973541664797
+Nc1nc(N)c2c(n1)[nH]cn2,0.5329085070813598
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.40815299864325305
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.37890656745295215
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.8423609472114314
+CCCCCOC(=O)C=C,0.17742865975784186
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.14342111921425224
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9153635301045643
+O=CC1C=COC=C1,0.47989730944853304
+CCCCN(CCC(=O)OC)N=O,0.8307463425774958
+C1CC[C@@]2(CO1)CO2,0.7179525027754474
+CC(=O)Nc1ccc2c(c1)cccn2,0.5012419013045702
+Nc1cccc2c1snc2,0.57556317959721
+C[C@H](C(=O)N)Br,0.6540038811663518
+[O-][n+]1ncc2c(c1)nccc2,0.3514348246917602
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.7765680231821261
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.613272021981515
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.7403265730487876
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8922451848519521
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.27117483504118334
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.1930336151219219
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.8029682596169018
+S=C(Nc1ccccc1)Nc1ccccc1,0.40652689088077354
+O=NN(C(=O)N)CC(=O)O,0.6111519303914854
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.4031186055200952
+ClCc1ccc(cc1)F,0.3458929259118636
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8973151218934279
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.8698567586996678
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7551552258410982
+c1ccc(nc1)c1cccnc1,0.5686855086621616
+Cc1ncc[nH]1,0.21504547409692146
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.16453614664332755
+CNC(=O)Nc1ccc(cc1)C(C)C,0.23019583530020285
+Cc1ccc2c(c1)ccc1c2cccc1,0.8300196268964682
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.5541816336877768
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.10533587000943527
+CCOC(=O)CNC(=O)CBr,0.6825364315437729
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.3610137900429716
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.6632848440719071
+CC(=O)CCOOCCC(=O)C,0.5162366578109376
+Nc1ccc(cc1)/C=C/c1ccccc1,0.7606374429809504
+O=NN(c1ccncc1)C,0.6647956211847618
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9223131152008605
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.20724908177417112
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.6742749117254125
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5922256416588813
+CON(C(=O)Nc1ccc(cc1)Br)C,0.36709738037598066
+Nc1ccc2c(c1)nccc2,0.648645134330935
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.34826623406293367
+O=c1oc2cccc3c2c2c1cccc2cc3,0.8294829034076393
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.6766157151410358
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.31240166660536745
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.7953009437381818
+Nc1ccc(cc1)S(=O)(=O)N,0.2245831801678152
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6737693016242933
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.09754227511643107
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.2569411750215619
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8194508882410488
+Cc1cccc(c1)C,0.18307366509035458
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.3226616544187825
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.4032700412786631
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.5731288409476775
+N#CCc1ccccc1[N+](=O)[O-],0.7377733849921981
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7513849738437128
+n1ccc2c(c1)cnnc2,0.24344913296149304
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.5301090102857009
+CCc1cccc(c1N)C,0.5189554852032656
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.6264489649385877
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.8312047435222258
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.479037306131815
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.367721824747865
+CCCCCCCCCCCC=C,0.08826516937323148
+Cc1ccc(cc1)Cc1ccccc1,0.3134775603988348
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7796467469269923
+OC(=O)C1(N)CCCC1,0.3025738936768623
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.14967599109846907
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.3759870517829704
+OC(=O)c1cccc2c1OC(O2)(F)F,0.22365495386017922
+[O-][N+](=O)c1ccccc1c1ccccc1,0.7966254580823322
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.8754114354644078
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.274545981231942
+BrC(=C)C=O,0.6590588326429379
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.14121845492934068
+ON=C1CCCCC1,0.6080144586479072
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8774169858188494
+CCCCN(CCO)N=O,0.8892323046798895
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.19342798867447347
+CCc1cccc(c1N)CC,0.3853976899726915
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.24934665671244272
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.6492603138089005
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.41854009657983254
+CC(CC(=O)Nc1snc2c1cccc2)C,0.21552842137035638
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.11856998515252394
+C[Si](O[Si](C)(C)C)(C)C,0.23456751910284548
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.5392691939488384
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.6958238348468895
+CCc1ccccc1N,0.5586050324419112
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.578239774208293
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.28476450844470713
+C[C@@H](c1ccccc1)N(C)C,0.16743987705614452
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.7822352929870219
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8809321833285468
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.39805539402189294
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.27807229132452116
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.8410622416129143
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8314107340843196
+C=CC(=O)NC(CC(=O)C)(C)C,0.18006067441224186
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.7366274779514504
+NCCc1c[nH]cn1,0.4005879275835399
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.5801753506221791
+C1CCOCO1,0.24355659897246126
+NNc1ccccc1[N+](=O)[O-],0.7636682258130991
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.1376240522030948
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.1874662992539702
+Cc1cc2ccccc2c(c1)C,0.5182009693080721
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.1377107251404065
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.6082999039263988
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.8004311131763798
+Cc1n[nH]c(=O)[nH]c1=O,0.4481138596100649
+CCCCOC(=O)C,0.25588113087906467
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3326249375362269
+CC[P@](=S)(Sc1ccccc1)OCC,0.30747570556554393
+Cc1cc(O)nc(n1)S,0.2134791496953408
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.6908200534156826
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.38517236458058335
+Cc1ccccc1S(=O)(=O)N,0.2602698240650565
+C/C(=C\C=O)/Cl,0.5865621209548717
+CCCCCC[C@@H]1OC1,0.21946677370636694
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.8397755292101206
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2857852461815856
+CCCCSCCC(C(=O)O)N,0.17634275119449833
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8019216134105424
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.3164104036960657
+ClCc1ccccc1CCl,0.3932828753103701
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.1501064021678953
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8440927888795693
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.1915487929841237
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.8788725116843716
+Oc1ccc2c(c1N)cccc2,0.4918388155934073
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.27605440925244257
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.9168087610013627
+COc1ccc(cc1)CC1OC1,0.8422448704045831
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.6011534494665002
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9037996570170208
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.4828873414297236
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8031161546940289
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.1359284540882852
+CCCCC/C=C\C=C/C=O,0.18755048405914596
+CCN([N+](=NO)[O-])CC,0.700743633142759
+Fc1cccc(n1)F,0.2922689548008827
+Clc1ccc(cc1)C[C@@H]1OC1,0.7731959681288987
+O=S1(=O)CCCCO1,0.5553599550297708
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.3577814515609607
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.7891823532784784
+O/N=C/C=N/O,0.5353626707529514
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8345337676381651
+CC(C(C)(C)C)OP(=O)(Cl)C,0.1651487728498398
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.1818666655078912
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.32897927630520524
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.5359354992962738
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.5595974928376893
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.37086870830818564
+Clc1ccc(c(n1)C(=O)O)Cl,0.20120136017397344
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.2726283148990677
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.48902796138547294
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.8606471578771628
+OCNC(=O)CCl,0.6292478543448258
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.4446916467751075
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.19029555694260153
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7016524247649198
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9281124153739687
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.5939630252641374
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8969460732225539
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7884239380553224
+ONC(=O)c1ccc(c(c1)O)O,0.5122197843852057
+NC(=O)c1ccccc1C(F)(F)F,0.15174452627868926
+Cc1ccc(c2c1cccc2)C,0.35700882229414865
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.1337111548170827
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.2639635560558132
+N#CCCNCCC#N,0.3880531209731067
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.2838604666805354
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.7713038217680694
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.44789425643512154
+Clc1ccc2c(c1)c1ccccc1o2,0.6277249046034069
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.8639732135848885
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.28273327014443533
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.8968797172558124
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.18098450950589162
+c1ccco1,0.22423180178589652
+C=CC(=O)OCC(C)(C)C,0.19476164145151362
+COCC(=O)O,0.3113603854299187
+CCCCOc1ccc(cc1)N=O,0.7264252446536805
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.26344938057185263
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.09995147413408044
+NNC(=O)CNc1ccc2c(c1)cccc2,0.5847826103571563
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.2073168325412252
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.1264240434799024
+COC(=O)c1ccc(cc1)CN(N=O)C,0.729513367077149
+Nc1cccc(n1)N,0.33753412112338105
+O=C=Nc1ccc(cc1)N=C=O,0.5356435149528135
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.6263530488803944
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8985560129336261
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.5647184825676236
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.7423157995570568
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.871588320193655
+NCCN1CCNCC1,0.3319086459730223
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.7571143138558349
+O=NN1CCN(CC1)C,0.8286232499184769
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.7723834453224694
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.7047060091440699
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.12468372914392678
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9015561007602167
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9003034648044421
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.5207630179678783
+c1cnc2c(c1)ccc1c2cccn1,0.7636098918246318
+BrCCC(Br)Br,0.7261043359304854
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.4863258299806801
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8916406056060372
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.889928632064792
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.6338484362492699
+CC([N+](=O)[O-])C,0.4755186564175938
+NCCCNCCCCN(N(N=O)O)CCCN,0.5432509394919112
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.14260974266113108
+O=C1C=CC(=O)C1(Cl)Cl,0.5965911630337782
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.4106343427740191
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.2514957853870295
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.5055395976700761
+c1ccc2c(c1)c(OCC1CO1)ns2,0.7934458120797581
+O=C(C1OC1)NCc1ccccc1,0.7394403941212795
+c1ccc2c(c1)occ2,0.24093609931787097
+CNC(=O)ON(C(=O)NC)C(=O)C,0.4576755852788117
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.806748988650139
+Cc1ccc(cc1)Br,0.1706515053612711
+Nc1[nH]nc(n1)N,0.3630840864176462
+O=C/C(=C/c1ccccc1)/C,0.3289610566513519
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.43433870912777683
+CN[C@H](Cc1ccccc1)C,0.23146487334335938
+Cc1c[nH]cn1,0.2306102521404386
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.6135451509635371
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8285859012879924
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.8243043283084728
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.2728172605366681
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.4861478557053576
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9001384679249868
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.8743358530131897
+O=NN1CCCCC1,0.8536693159781134
+Oc1cc(=O)[nH]c(n1)N,0.34279671046795
+CCCCOC[C@H]1CO1,0.6256524017838444
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.12906732742486984
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7366180204276979
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.11892168441001713
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.3287075284634713
+Nc1ccccc1S(=O)(=O)O,0.15020972051285886
+C=CCOC(=O)CC(C)C,0.1842262454184574
+Nc1nc(N)nc(n1)N,0.24504592998090316
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.31095399080766745
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.5386856892476746
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.27013689479112857
+Cc1ccc(cc1)C(C)(C)C,0.15214917389242022
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8285859012879924
+CC(=C)C1CO1,0.4786582155854621
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5116939941630041
+[O-][N+](=O)c1ccccc1C(=O)O,0.6449190374231344
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.11378108515342371
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.8930775755463616
+BrCC1=C(Br)C(=O)OC1,0.8399218960002263
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9086193222492276
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.687602388060007
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.20642520496889286
+COc1ccccc1c1ccccc1,0.6157890670891335
+CC1=CC[C@@H](CC1)C(=C)C,0.10917072951321169
+ClC(C(=O)O)Cl,0.6093758989808684
+O=Nc1cccc(c1)c1ccccc1,0.7368324449374686
+Cc1cc2cccnc2c(c1)C(=O)O,0.3546773935948123
+COc1ccc(cc1)CC[C@@H]1OC1,0.779728456725609
+OC(=O)CCc1c[nH]c2c1cccc2,0.2256639059069642
+O=NN1CN2CN(C1)CN(C2)N=O,0.6429800730200472
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5085453880013621
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.15962667681093182
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.41648567040775286
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.832201890115123
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.13539397733311373
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.1520642416467684
+[N-]=[N+]=NCc1ccccc1,0.7545485711989585
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9242760473517835
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.846988735109945
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.13195997130899292
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.3085758917320784
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.2895675083040454
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.8398054332310895
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.3259939668921612
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.8503994476164775
+Nc1ccc(cc1)[N+](=O)[O-],0.7595507646947733
+CNc1ccc2c(c1N)cccn2,0.6795213628916686
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.6365124276988552
+NCCC#N,0.3097004094578321
+COc1ccc(cc1)N=O,0.7021597774535997
+Cc1ccc(cc1)C[C@@H]1OC1,0.7514603223254674
+OC(=O)CCC(=O)O,0.10370381536950173
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.5138081502365092
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.569252363180341
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.8218309056017792
+O=NN1CC[C@H](C1)O,0.864906841528289
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.4298995756940599
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.6172228029768579
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.11188474092288081
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.12288316076461972
+O=C(C(Br)(C)C)NCc1ccccc1,0.26847499093274146
+CC1=CC(C)(C)Nc2c1cccc2,0.2925537878122772
+O=C(C(C)C)Nc1snc2c1cccc2,0.2428967932945663
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.7811094746628846
+O=C1C=C(C)C(=O)C(=C1)C,0.2736472900083387
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8880946771668033
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.8591241924511287
+CC(=O)c1ccc2c(c1)cccc2,0.635272321253051
+CCCCOC(=O)C(=C)C,0.17284446525199704
+CC/C=C/1\OC(=O)c2c1cccc2,0.3090249465797226
+Clc1ccc(c(c1)C)N,0.530883192022912
+Oc1ccc2c(c1)nc([nH]2)N,0.43164673883186316
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.8264673499641089
+NC(=O)C1CO1,0.7262371529311759
+ClCC(=O)c1ccccc1,0.4926998053799282
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.1561038845874045
+O=CC(=C(Cl)Cl)Cl,0.7286663516665982
+CC(COC(=O)C(=C)C)O,0.23208092017937543
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.10124266978276358
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.7943085761461319
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.38313805041316296
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.4735510931153781
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.24037332312501303
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7514529412950178
+CNC(=O)CSP(=O)(OC)OC,0.39928903085737893
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.4823018923705675
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.6464236680686486
+COc1cc(Cl)c(cc1Cl)OC,0.3221988729129505
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.1607736336448214
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.4238627874155372
+N#Cc1ccccc1C,0.25345828963797096
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.839063059122692
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.11839247925611657
+Oc1cccc2c1OC(C2)(C)C,0.28791324057064366
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.7649209917854053
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.6935955412671823
+CC(=O)Nc1ccccc1C,0.3258354778971105
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.14280534917182303
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.27930889305854445
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8867822976342945
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.42344087257358803
+CC(c1cc(ccc1N)c1ccccc1)C,0.6875628006007731
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.2357040510087671
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.14568997505563155
+O=C1c2ccccc2C(=O)c2c1cccc2,0.49041457788021314
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.6495800700477363
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.5564478930385971
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.46405054673692403
+CCn1c(N)nc2c1ccc1c2cccn1,0.8356410928484587
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.46690902658548983
+O=CCC=O,0.3899695385255135
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.8394078500578538
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.09043543854314523
+Oc1cccc(c1)[N+](=O)[O-],0.47284996091995934
+C=CCNCC=C,0.26087608262781903
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.12693273532606486
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.4313541997149489
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8004581620352027
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.2996305147067958
+ClCCOC/C(=C\Cl)/Cl,0.6744297436377288
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.12442101634464152
+Oc1c2ccccc2nc2c1cccc2,0.709290794221573
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.10371046969217079
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8626800506539186
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.5431996556437783
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.11874799207502647
+N1C(=O)C(=N#N)C=NC1=O,0.4814931507378881
+Clc1nncc2c1ccnc2,0.4012610826410869
+COc1nsc2c1ccc(c2)N,0.7379702081489081
+O=C1CCCC=C1,0.33353571275084043
+COc1nsc2c1cc(N)cc2,0.717735604407402
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.4763303043305133
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.6948614368674391
+Clc1nncc2c1cncc2,0.32672883308863265
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.15870925697974347
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.8906568097357634
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.8700506860972318
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.8240288363329229
+NS(=O)(=O)c1cccc2c1nccc2,0.3169743118454348
+OCc1ccc(cc1)C,0.3128324125580622
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.41824823422871266
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.13851885888470228
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.17933621834078
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.4828873414297236
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7698119894468307
+N#CC1(O)CCCCC1,0.22235733341984193
+Oc1ccccc1,0.20291322316232083
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.481100423699427
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.8507152858854274
+COc1ccc(c(c1)OC)N,0.6801607868007518
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.8605386827349493
+OC(=O)c1ccccc1.[Na+],0.10877708809116053
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.8621723469143755
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8756962631652515
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.6613278342593932
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.23113227710591908
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.6291750857373835
+Cc1ccc(cc1)N(C(=O)C)O,0.3950446216187685
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6362882930562844
+CCC#N,0.31585122687089046
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8003257131951181
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.8383497926600116
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.1819329389233509
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9205531088245811
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.09682531391894753
+CCOc1nc(NC)nc(n1)N,0.246731538191733
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.26345779001795305
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.14571071782980133
+NC(=S(=O)=O)N,0.34869861515817496
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.2420686931775655
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.7388986918630565
+Ic1cc2cccnc2c(c1)C(=O)O,0.2748487775651058
+C=Cc1ccccc1C=C,0.2501012252546992
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.2832108760322592
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6380355038785837
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.08436136730179136
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.18780378883326102
+ClCC(C(=C)Cl)Cl,0.72746193980393
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.7962106538901274
+On1nnc2c1cccc2.O,0.3041169144704247
+NC(=O)CNC(=O)C=N#N,0.6404050303680852
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.09893926905269135
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8818153433549277
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.7988177319840463
+CCOC(=O)C,0.31913651543395255
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7786552549619208
+Clc1ccc(c(c1)C(=O)O)O,0.14778550285714284
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8633890367948855
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.17138807982860976
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.7560038813951317
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.8807245734287557
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.7004723875789184
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.851764432672755
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8883382341164072
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.769837280985397
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.6206021999021537
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8170627085108086
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.20282394166332354
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.1419257409796819
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.7732216160991783
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.5998944482182454
+CCCCCCC[C@@H]1CCC(=O)O1,0.17296167192201847
+CCNC(=S)NCC,0.3145030755814488
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.34821137189533674
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.09653970951746346
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6908570913406276
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.32654275001103517
+COc1cc(C=C)ccc1O,0.2596515686685342
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.11940010134190962
+Brc1ccccc1c1ccccc1,0.2976617281312262
+O=CCC(CCC=C(C)C)C,0.09882564102915709
+CCCCCCCCC=C,0.10248659807318075
+Clc1cccc(c1)Br,0.14335360204665448
+Cc1ccc(c(c1)O)O,0.3867756208591597
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.1771699416927113
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.8461475589721784
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.581613110792114
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.20248172307248485
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.09048193528415334
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.6932501446921132
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.41293131413935524
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.1832059257532175
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.4621369365280565
+O=NN1CCNC1=O,0.801440509474069
+Oc1nc2c(C)cccc2nc1O,0.4347480254373168
+O=NC([N+](=O)[O-])(C)C,0.6555986890183849
+Cc1cc(C)cc(c1)C,0.17076715674289214
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.1552557497528152
+OCCOCC,0.29178556925535676
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.7632348121500137
+N1CC1,0.4329944785789217
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8640529795079684
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.7548230622788493
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.6603288102502688
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.41854009657983254
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.18884386381559132
+OS(=O)(=O)ONNCCc1ccccc1,0.414801676688912
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.3133461123093371
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.5687611586310608
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.6397034437578862
+OCCc1c[nH]c2c1cccc2CC,0.3768493756674355
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.8381491279829746
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.8453572088359858
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7022020771527079
+CCOCCOCC,0.29157346970319536
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.15194843948016395
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.8820255549213009
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.668343960727776
+O=C/C=C\c1ccco1,0.26995154458329573
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.6417645769780315
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.27300606870164423
+Oc1ccnc2c1cccc2,0.6059387144808926
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.3558107177853324
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.736071567806488
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.1831303684200331
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3170078084192146
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.33688412471042073
+CNc1snc2c1cccc2,0.5033714592783018
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8975297685523438
+CC(c1ccc(cc1)NC(=O)N)C,0.2766076574558555
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.6623599183539186
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.2145643440186962
+CC(=C)C=O,0.3215606622674519
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.16483903060803892
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.7735016370520719
+CC(CCOC(=O)C)C,0.17973473838503148
+CCCCN(CCCC(=O)O)N=O,0.8524390349050269
+c1ncc[nH]1,0.20780607723574368
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8941024045388762
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.2287086129379996
+CC(=CC1C(C1(C)C)C(=O)O)C,0.18911444908822217
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.10865842151885946
+CCN1CCNC(=O)C1=O,0.38350164953996824
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.8265311407686041
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.7416604548421663
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.819537605116576
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.7718596949686845
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.27515567777124195
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.2257738653883658
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.4104845127549535
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.8187088965279049
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.42300891419295006
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9074432103934538
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9200039051965504
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.5153263423419294
+Oc1ncnc(n1)O,0.20915498169233135
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.1935879476975458
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.7423157995570568
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.37661989820660396
+BrC(C(=O)O)Br,0.7098005422870866
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.5080676498279686
+C1CC[C@H]2[C@@H](C1)O2,0.33806900404360485
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8053062487687339
+CC(Cl)(Cl)C,0.3951546912832671
+Nc1cccc2c1nc1cccc(c1n2)N,0.8610795590557264
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.1396448519913762
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.11997104334903136
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.801556304524218
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.18689418957858753
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9066879135751617
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.800276163896301
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.29817862269191636
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.6831848002395731
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.8460669879641785
+N#C/C=C/C#N,0.21415887532010755
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.6158161163995814
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8723665988949837
+OC1COC(=C(C1=O)O)C,0.4467905887045897
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.7612866617714641
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8860381490353804
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.7691571081148997
+O=CC(=O)C,0.33491328086726796
+Oc1cnnc(n1)O,0.21693208691984822
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.09230352040370048
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8474090829330826
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.6942543909681704
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.7625421645921443
+CCCC(=O)c1cc(O)c(cc1O)O,0.313962253031764
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.1991049991604525
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7490362895944761
+OC(=O)c1cccnc1,0.1508502744731851
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.5097702618529016
+ON1C(=O)CCC1=O,0.4078451908925777
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.2559136308069449
+CC1CCN(CC1)N=O,0.800227216744039
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.09832838986296454
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.16977797099920905
+CCCCCCCC1CCC(=O)O1,0.17296167192201847
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8368601848518966
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.15986273770563478
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.16165808183129923
+N#C/C(=C\c1ccco1)/C(=O)OC,0.4024959483621753
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8835909453815095
+CCCCOC(=O)c1ccccc1N,0.18867146051865163
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9265029209877468
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.14918411745199667
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.11477816895835649
+COCCOC,0.34805790237647133
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.83873858932968
+Clc1ccc(cc1)Cl,0.15484612555712643
+Cc1c[nH]c(=S)[nH]c1=O,0.31714086995832286
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.27344895877721753
+CCOC(=O)CCl,0.6775912152648752
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.2763740237445692
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.22603489590903536
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.3261286511457886
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.7683995722053195
+Clc1ccc(c(c1)C)O,0.21447349617881153
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.2284330232578588
+N#N=NCCC(C(=O)O)N,0.7886074390429664
+NCCN,0.2607246402821964
+C[C@H]([C@H](O)C)O,0.14755469503753096
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.7537153385023371
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.2297834846820047
+O=C(C(Br)C)NC(C)(C)C,0.4226078675398974
+NCCNCCN,0.36397018756302574
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.8469474710384918
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8721046096491808
+COCC(=O)Nc1c(C)cccc1C,0.25930650787898324
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.7147262767190977
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.14967599109846907
+CC(=O)Nc1ccccc1,0.28497728379119963
+Clc1ccc2c(c1)nc(n2C)N,0.659109369759871
+COS(=O)(=O)C(F)(F)F,0.33900232605537517
+CC(=O)OCN=[N+](C)[O-],0.6874559066695954
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.5188416896123212
+Oc1ccc(cc1)O,0.3051499367784611
+O=c1[nH][nH]c(=O)c2c1cccc2,0.3964875135874469
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7829793461443648
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.6756925749438233
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8595901812311983
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.39373541184488553
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.47016377124160863
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.2121901617625084
+Nc1cn[nH]c(=O)c1Cl,0.4150356462396107
+CC(F)(F)F,0.21089037649376297
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.3267810816492497
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.890207961441724
+Oc1cccc(c1C)O,0.2966965080619845
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.53834275809701
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.27594257908031816
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9302036764486333
+C([C@@H]1OC1)Cc1ccccc1,0.7295759232153327
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.4321604432967917
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.20798383900992523
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.23579112375465625
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.2530566789844046
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.6028241038452711
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.12023488612086952
+[O-][N+](=O)c1cnc(s1)N,0.6064644429564988
+[O-][N+](=O)c1ccc(o1)CNCCO,0.7430846100065073
+CCCOC(=O)C(=C)C,0.2174460083032033
+BrCc1ccccc1CBr,0.3576379500262853
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8393190137732627
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.6963650089767582
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.10241613516428028
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8898544813226857
+C=CC(=O)OCCOC(=O)C=C,0.3576924503266579
+Clc1ccc(cc1)C(=O)Cl,0.5084603899159155
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.09254918424296824
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.7934577048089481
+O=Cc1cccnc1,0.2997038972485503
+CNc1nc2c(n1C)ccc1c2cccn1,0.8693288185832838
+COC(=O)c1ccc(cc1)C,0.21412160772945837
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.13262283310453873
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.598379069767441
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8622885897518264
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.11134606904184215
+c1ccc2c(c1)[nH]cn2,0.35602756566529314
+Oc1cccc(c1)N(C)C,0.27001382087289405
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7803259175953111
+CCCCCCCCCCCCCCCCCCO,0.09964897722252081
+OCCN(C(C)(C)C)CCO,0.2300569947255116
+O=NN(c1ncn(c1C(=O)NC)C)C,0.6695087832122616
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.3862058238508556
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.7219775611329127
+C[Si](N[Si](C)(C)C)(C)C,0.21765606648488936
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.09751108741811433
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.2453551670277628
+Fc1cccc2c1c1cccnc1cc2,0.8786983209951554
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.1022767432527457
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.8591292999044345
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.15960226919119613
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.36685042893270114
+O1CCOCCOCCOCCOCC1,0.22405169579391607
+CCCCCCCCCCCCCl,0.25205581929569876
+OC1C2OC2c2c(C1O)cccn2,0.42524294671211454
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.8048506546319513
+Oc1cc(O)cc(c1)O,0.1925975576076804
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.8266447877400187
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.38467783984797566
+S(Cc1ccccc1)Cc1ccccc1,0.33944074346158987
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.15752283522578087
+c1ccc(cc1)N/N=N/c1ccccc1,0.771897072044777
+O=C/C=C/C=O,0.4174594488435053
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.09403993482412952
+COc1cc(CCC(=O)C)ccc1O,0.26963892826844943
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.7756268549738116
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.15867246139341148
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.1438294171787206
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.11523061149669289
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7990801282991855
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.5776115950162143
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5125527839279775
+Clc1ccc(cc1)S(=O)(=O)C,0.2991426512195083
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.18672140840644386
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.19687279388645276
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.1046425621331316
+COCC12OOC2(C)c2c(O1)cccc2,0.6624183425579799
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.663235194880446
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.7959018580946967
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.7256815233167861
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.8585413001378261
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8209021987320788
+CN(CCN(C)C)C,0.2336871071896439
+O=Cc1c(Cl)cccc1Cl,0.27779159977667267
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.24794021125447094
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.1435951337097521
+ClC(C(=O)C(Cl)Cl)Cl,0.7165836541278771
+O=CCCCC=O,0.39863787758832114
+CSC(=O)c1cccc2c1snn2,0.5158090857100818
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.29152303120323086
+COc1nc(NC(=O)N)nc(c1)OC,0.295634991723063
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.2295071861103711
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9255443654736099
+Cn1cnc2c1ccc1c2cccn1,0.7991616536288951
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.1421469855619281
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.12518903790535826
+OCCN(C(=O)N)N=O,0.6520623969527529
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.11320862776802079
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9206740686769702
+BrCC(=O)c1cccc(c1)OC,0.4710060750481225
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.22223999036652786
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.8457236799793991
+CC(CCNc1snc2c1cccc2)C,0.25880952726491274
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.5633639547898891
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.3744369234715851
+Nc1ccc2c(c1)cns2,0.547725207891386
+BrCc1cccc(c1)CBr,0.3162514558415232
+CN1CN(C)CSC1=S,0.2316497334520833
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.2257738653883658
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.5769199265347014
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.5657949826194634
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.7578863494022686
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.1907340631562951
+COCCO,0.32533646845223047
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.27804263598171514
+Cc1ccc(cc1C)S(=O)(=O)O,0.1700396109050867
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.11084957261446038
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.10101992262452662
+CC(C1=CC(=O)C(=CC1=O)C)C,0.25771605169413564
+CC(S)C,0.3331554926375687
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.45958995642985495
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.88616126415966
+COC(=O)C1=CCCN(C1)N=O,0.7684190819592502
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9259740994467831
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.15479105939101465
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.7964421025804383
+Nc1ccccc1,0.24396740321906404
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.8078070813232281
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5908804565826841
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.11373646722788835
+C[C@@H](c1ccccc1)CCc1ccccc1,0.37402471418651134
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.20644095063950987
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.18184823942989797
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.835016402211538
+CC(=O)OCN([N+](=O)[O-])C,0.6927536243901825
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.1795440466525721
+C=C[C@@](CCC=C(C)C)(O)C,0.12716546901814957
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.09788234980252354
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.4576123178163037
+O[C@@H]([C@H]1CO1)CO,0.7518512170042353
+COc1cc(C=O)c(cc1OC)OC,0.37112054962265417
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8854568898500671
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.8039469198660794
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.1694883234167643
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.44451620840433276
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.6782869672290682
+CCCC(C(=O)O)CCC,0.14284221168298816
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.8186249996610081
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.6805000102168445
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.5323387145641476
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.7612867031878205
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7332075788192436
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.8769366689812765
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.15205486882025882
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.21233498529850492
+OCCc1ccccc1,0.2345256130636616
+COc1c2cccc(c2nc2c1cco2)O,0.7092704980034918
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.3448060024694694
+CC([N+](=O)[O-])(C)C,0.5042779590693798
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.7408015481788323
+c1ccc(cc1)NNc1ccccc1,0.5339306417961466
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.9055899523096774
+ClCCN(CCCl)C,0.5144254568266381
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.18271356515775244
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.3629509098204874
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.44544353728500474
+C=Cc1ccc(cc1)C,0.2982774220462631
+NC[C@H](N)C,0.2367277595240705
+Cc1ccc(cc1)[N+](=O)[O-],0.6677798148214548
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.7398995340052164
+C[C@H](CO)Cl,0.7161867767555969
+BrCCBr,0.5568808000521955
+CON,0.408240246934617
+O=c1n(CC2CO2)sc2c1cccc2,0.5872554628665683
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.16760242448703333
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.11369545176005992
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.2949157477230755
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.8531680892872722
+COP(=O)(SC)SC,0.2931628884565995
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.20197365136376283
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.22921511330151395
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.7411295251169099
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.7959281506972714
+ONc1cccc(c1)C,0.5553798987451567
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.11786375235981134
+CC(=O)OCC=C,0.25618132698446766
+NC(=S)c1c(Cl)cccc1Cl,0.3965535725750647
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.22087110094397797
+ClCC1=C(Cl)C(=O)OC1O,0.864697339779246
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8877466365850587
+CC(C(=O)N(Cc1ccccc1)C)Br,0.4533849019846627
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.2961100092446382
+Oc1ncnc2c1cccc2,0.3807546915738977
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.10636818215415389
+O(Cc1ccccc1)CC1OC1,0.8615865209563429
+Cn1c2ccccc2c2c1cccc2,0.7927372611827022
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.8922732723657026
+COC(=O)C=C,0.35858197762605265
+Oc1ccc(cc1)c1ccc(cc1C)N,0.6739426302326059
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.21539971648845205
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.286397283484801
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.8245410064708141
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9042736734125043
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.5385229489223887
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.4387720082340312
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.8419827215740704
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.6624420330435858
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.19554155583212712
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8594583091535172
+Oc1ccc2c(c1N)cccc2.Cl,0.47861523071227013
+Fc1cnc2c(c1)c(F)ccc2,0.7541324798987438
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.831969155344367
+O=C(Nc1ccccc1)Nc1ccccc1,0.3043929658355727
+CN(C(=S)N(C)C)C,0.32098438218156206
+CCCCCOc1ccc(cc1)N=O,0.7078535390501672
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7453042684841427
+Clc1c(Cl)ccc(c1Cl)Cl,0.1863171028852598
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9133996474614899
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.6800101132930101
+Brc1ccc(cc1)[N+](=O)[O-],0.6228773977231555
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.09455187072662308
+O1OC2c3c(C1c1c2cccc1)cccc3,0.628036948079876
+CC1=CC(=O)C(=CC1=O)C,0.22831511462752818
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.18263835136115159
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8450960505815581
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.8426903611359692
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6318790215613991
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6618758963929908
+COc1cc(ccc1OC)CC1CO1,0.7538301161526012
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.38086354677705736
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6508733369964622
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.2907416528778468
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.12913777492825318
+COc1ccc(cc1)[N+](=O)[O-],0.7935290501542909
+C=CN=Nc1ccccc1,0.6195836940447459
+N#Cc1ccc(cc1)C,0.2617322822238664
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.13179609436294337
+Nc1cccc2c1c(N)ccc2,0.6335111849186952
+O=C1CCCO1,0.486135879543652
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.357694324729553
+OCCCN=N,0.5568587262756834
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.6321207946965854
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.910425537662218
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.24237077683646946
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.5168065324224
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9212196482194842
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.14683920272494666
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.6948769110918012
+Clc1cc(Cl)c(c(c1)Cl)N,0.3897412039858821
+Oc1[nH]cnc2-c1cnn2,0.41049171704323395
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.5198957169993053
+O=C([C@]1(C)OC1)Nc1ccccc1,0.7295922483138992
+c1ccc(cc1)/N=N/c1ccccc1,0.6070473611513756
+CNNC,0.4593956577303721
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.22125722406069226
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.5444180781896697
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.2765633273762699
+O=CC(=C(C)C)Cl,0.5068399361351631
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.7988124393185813
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.21856970518037155
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.545320709535451
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.24919247887700172
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5718871616024055
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.7138503151212378
+ONc1ccc(cc1)C,0.6665364973148246
+[O-][N+](=O)c1cccc2c1nccc2,0.8393592880644968
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6156868377073756
+O=C(C(=O)O)C(=O)O,0.2666806567501221
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.08378798629825471
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.7113175650247722
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7462039478134422
+O=C1CCCCCO1,0.34801221948836303
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.19057898207219462
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.581720107178451
+CC(=O)Oc1ccccc1C(=O)O,0.1907734614553566
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.5235276096587341
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.3874164919114624
+C(Sc1ccccc1)CSc1ccccc1,0.45315991391607213
+ClCCSCCCl,0.5990610966706608
+Clc1cc(Cl)cc(c1)Cl,0.1304355207304421
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.17653434975618665
+COc1cccc2c1OC1(C2(C)OO1)C,0.7497002272707707
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.923671479782007
+ONC(=O)Cc1cn(cn1)N=O,0.5889624925057574
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.3290337912331943
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.7238235147174027
+Nc1cc2ccccc2c2c1cccc2,0.8743867918914022
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.1454842304545107
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.6658885300137815
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.3408515625972638
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9223681763548461
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.18298353647977791
+CN(c1ccc(cc1)N)C,0.5999994705883669
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.5671252112007752
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.32423079321958603
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.9116455265573068
+CCCCN(CC(=O)CC)N=O,0.8270982948148519
+CCN(c1ccc(cc1)N=O)CC,0.7169205871124801
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.471321655482385
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8798991059540888
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.7127301377033546
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9245060232273338
+CCCCN(CCCCO)N=O,0.8514297895270561
+OC(=O)c1ccccc1C(F)(F)F,0.17039215173032243
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.7761562737586148
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.3053999821232979
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.18800911522779576
+OC(=O)COc1ccccc1,0.22860161638612791
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8287341851551702
+NCCc1ccc(c(c1)O)O,0.43540283399028973
+Fc1cnc2c(c1)c(N)ccc2,0.668359152628708
+Nc1n[nH]cn1,0.45243383511062285
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.17694780885661524
+CCCCCCCCCCCCCC[C@@H]1OC1,0.13859941989079008
+COc1nncc2c1cncc2,0.4259708522923182
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9170131644597189
+CC(C#N)O,0.410738724969045
+CCCCCCC(=O)O,0.14485024756000797
+ONC(=O)CNC(=O)c1ccccc1,0.39608271175742393
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.7172637942005662
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.1110332627136077
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.28167343100552755
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.5676160318451426
+ClCCN(C)C,0.43309155687903417
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.23386168158771298
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8659652213790086
+CNCC(c1ccc(c(c1)O)O)O,0.17797688338700773
+C[C@H]1CN1,0.44531579674306426
+BrC[C@H](c1ccccc1)Br,0.45233679624950623
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.30546304717745915
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.6036422560786929
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.5833732891105113
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.5003257363200644
+CCOP(=S)(SCCl)OCC,0.3729801420986739
+CCOS(=O)(=O)c1ccccc1,0.4221277067492978
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.3792681246137695
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.8271715855257925
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.5241365117069461
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7526979863824171
+CCOC(=O)CNC(=O)[C@H](Br)C,0.6021255510293047
+CC(Cl)C,0.3819683255972411
+OOC1(C)c2ccccc2-c2c1cccc2,0.6554844649182208
+O=NN1CCC(=O)CC1,0.8402804380220966
+Cc1c(N)cccc1Cl,0.5815975019986495
+Oc1cccc2c1cccn2,0.43169440083686217
+CCC(CO)(CO)CO,0.21586791759382015
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.768592140702195
+NC(=O)c1cnccc1C(F)(F)F,0.21535140724224358
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.1524824693226677
+COS(=O)(=O)F,0.5916395087075218
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.4321101252965051
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8842789482127066
+Fc1ccc(c(c1)F)N,0.4261380000645722
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.0946569237672309
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.7162085350673283
+CN(C[C@@H](Cl)C)C,0.4241450135950736
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.14310007154385693
+COc1cc(ccc1O)CC1CO1,0.7097975619422378
+OC(=O)C[C@@H](C(=O)O)Cl,0.37050847096729966
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.5300529774375712
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2184293348020109
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.11711186244534837
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9086525746759183
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.34660136364636657
+BrCCSCC(C(=O)OC)NC(=O)C,0.7598890849987701
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.8389281420890398
+COP(=O)(OC=C(Cl)Cl)OC,0.3919674804048886
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.1739731388663355
+CCCCN(C(=O)N)N=O,0.8026202110388091
+COc1ccc(cc1)CC=C,0.3007167152330613
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.21145470487659251
+Cn1c(N)nc2c1cc1ncccc1n2,0.7831985943873159
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.8344577940610647
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6674072680966943
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.21032383986370265
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.8509541573431367
+N#N=NCC1OC(O)C(C(C1O)O)O,0.586932239440854
+OCCOCCOCCO,0.3297985644771327
+CC(c1ccc(cc1)C(C)(C)C)O,0.13570294140996006
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9093903418023743
+COc1ccccc1N.Cl,0.6497513162480417
+Clc1cccc2c1c1ccccc1o2,0.6607864625635395
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.21481576432677985
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.12984609478106304
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.1933440471315863
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.4720343611426823
+[O-][N+](=O)c1cnc(n1C)C,0.5990012911267564
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6230727491974836
+Cc1cc(=O)[nH]o1,0.4902922175456599
+ClC(=O)Cc1ccccc1,0.337115718309851
+OC(=O)CC(C(=O)O)O,0.12831771345555337
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.7523214674781349
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.3615620411813284
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7411671960613405
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.505661210811521
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.6654409061545298
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.49643577189422117
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.15289239698740026
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8341494351646279
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.9070722728821459
+C1CC23C(C1)(O3)C=CC=C2,0.33946783057032115
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.7141518971091395
+CC1=CC[C@H](CC1)C(O)(C)C,0.09930631403699072
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.27978482571350766
+CC(OC)CCO,0.22513933690732757
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.3996358443707654
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.5146214396011835
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.32343132012403053
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.3317640847038795
+CCOCC=O,0.4240229231074854
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8752732168259827
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.4522826230597239
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.20237384544353032
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.13148937600284927
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.08782777215607357
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9253866450977609
+c1ccc2c(c1)cncc2,0.3896274277007511
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.1970598671909945
+[O-][N+](=O)[CH-]C,0.45393769522060673
+ClCCN(c1cnc(nc1O)O)CCCl,0.5023551577331277
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.18178714187057732
+BrC(C1=C(Cl)C(=O)OC1)Br,0.8178012935041475
+Oc1ccc2c(c1)nc(n2C)N,0.5810263322926033
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.22224720819062083
+OC(=O)C(CC(=O)c1ccccc1N)N,0.3143904511860857
+CCCC[C@H](CN)CC,0.1121766622286258
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.4018044346385772
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9146396341504094
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.4629471108894706
+CC(=O)OC[C@@H](CO)O,0.36124474096127507
+ClC/C=C\Cl,0.8395025932187139
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7200780248602143
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.6351352601679876
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8396023197239935
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.13039426765199244
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.22128727238600035
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.11198385753610025
+c1scc(n1)c1nc2c([nH]1)cccc2,0.5798208006221105
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.585005016002551
+OCc1ccc(cc1)C(F)(F)F,0.20597383111182188
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.12989041085229128
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.11939264410287832
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9302446320018939
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.3056047498255231
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.14197214260973678
+NC1c2ccccc2-c2c1cccc2,0.8060093995959589
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.4477376855782084
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.3294760278889815
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.561651617317665
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7156476319369449
+CN(c1ccc(cc1)N(C)C)C,0.26014269199800816
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.6842537246689053
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.849219613479293
+O=NN(C(=N)N[N+](=O)[O-])C,0.7221093128563116
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.7883798966853304
+Clc1cccc(n1)Cl,0.24319600791085377
+CC(O)C,0.15672432364156727
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.4973892177624029
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.5029476508142869
+Nc1cccc(c1)[N+](=O)[O-],0.5919097304523404
+Fc1cccc2c1ccc1c2cccn1,0.8699258081640834
+CC(OC(=O)C(=C)C)C,0.23805566578594087
+N1CCN(CC1)c1ccccc1,0.4303849408928681
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.12833571795351584
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.5723768263339588
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.8632370639148846
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.1774823599386451
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.7440664772521846
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.776113379051686
+OCC(C(C(C1SCCN1N=O)O)O)O,0.5159169602023612
+CNc1ccc2c(c1C)ncc(n2)C,0.6859846005405174
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.3873456393179081
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.8339417227039729
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5196913847789754
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.28198589487510556
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7367343802130899
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.27952010635022617
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.814066320926538
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.5453860054403571
+COC(=O)C,0.3830607412647099
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.8752131141935863
+ON1CN(Cl)CN(C1)Cl,0.3024910838300773
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.907886534840242
+OC(=O)/C=C/c1ccc(cc1)N,0.37277298500651096
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.3753292780599844
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.6529521710197791
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.11971791969272587
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.5494698997731728
+OCC(CO)(CO)CO,0.21794481631884075
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.5965538261325559
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.7295266954960956
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.24220834356809415
+O=NN(COC(=O)C)C,0.8404565905258645
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.8967091279427448
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9065230518800611
+O=NN1CCN(CC1)N=O,0.8402377555962812
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.3366425737084574
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.17396480109284818
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.6499234219715011
+NCC(=O)O,0.20451130170252274
+Nc1ccc(cc1)O,0.49264936664474557
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.22899042711548465
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6869775490937446
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.8852677910915321
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.8989761381314767
+CC(=O)Nc1cccc(c1C(=O)O)N,0.21328418869919577
+OCCC(C)C,0.11144073913990798
+c1ccc(cc1)N=Nc1ccccc1,0.6070473611513756
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.15793632647113806
+CC(=O)Nc1cccc(c1)N,0.3368367164112386
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.22371107217064745
+CCCN(CCCC(=O)O)N=O,0.8662976589931957
+CC(c1ccc(nc1)C(F)(F)F)O,0.21164849789150494
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.240064788119162
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.30853500057542904
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.843491028023211
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.5485878812898558
+COc1nc2c(CBr)cccc2nc1OC,0.5826728987958013
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.4319910245248463
+ClCC1=CC(=O)OC1,0.7047892555643012
+CC(O[P@@](=O)(F)C)C,0.2753746099636916
+C=CC(=O)OC[C@H]1CO1,0.6778832244145416
+CCCCCCCCCCCCOC[C@@H]1OC1,0.3003606816056583
+BrN1C(=O)CCC1=O,0.5218769639771103
+OCCCCO,0.25745348903828874
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.6621086444821632
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.23624384049340003
+O=C1c2ccccc2CCc2c1cccc2,0.6248846220155735
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.31771874541335887
+O=NN1CCC[C@@H](C1)O,0.8863857620723636
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.3760308800442867
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.6883882231015979
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6707117650842719
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.09092113427186281
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9208452553639737
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.591722553359258
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.49069456206012196
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.14233783234206918
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.15067393465703138
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.8774921914299049
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.16692670585708394
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.5811732851342365
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.868329837043636
+OCC(Cl)Cl,0.8120073496594533
+NC(=O)O[C@H]1CO1,0.7335961791152187
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.13382891742674172
+NC(=N)c1ccccc1,0.39035870915872967
+Sc1[nH]cnc2-c1ncn2,0.5376172935407262
+Cc1ccc(cc1)N(C)C,0.23523546447228183
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.8806359272137754
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9164782317670186
+Nc1ncnc2c1ncn2C,0.6109294667428745
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.09339243499596073
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.9204857619585959
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.5260701148317978
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.7196945569986006
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.8565460124725831
+C(C1OC1)Cc1ccccc1,0.7439502961115902
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.23183749462426928
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.14379811328690714
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.847589937930744
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.7767150831412303
+CCCN(N=O)CCC,0.7561359910569074
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.909003490180969
+COc1c(N)cc(c(c1C)N)C,0.4969747338255846
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.1268478191209587
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.886313010421625
+COc1cc(ccc1OC)C[C@H]1CO1,0.7538301161526012
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.21072943557650703
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.903785762484967
+OC(=O)CCCOc1ccc(cc1C)Cl,0.2059623918741698
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.8332276655637141
+C=CC1CC2CC1C=C2,0.1529813974903153
+[O-][N+](=O)[C@@H](CO)C,0.371189510617395
+CSCNc1ccccc1C(=O)C,0.3359897493691412
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.7935787829518732
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.08782777215607357
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.25962567090158245
+Clc1ccc2c(c1)oc1c2cccc1,0.7200008413105029
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8915952614031981
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.4116394362621133
+CN(C(=O)NC)N=O,0.7949807872129038
+Cc1ccccc1c1ccccc1,0.2844087019116805
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.12137139078955123
+COC=C,0.4608669253385089
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.7007465851917657
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.7980352263818323
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.8633068079447236
+CC(C(C)C)C,0.15333476591154668
+Cc1ccc(cc1)CC[C@@H]1OC1,0.6789415077117115
+Nc1ccc(cc1)c1ccccc1,0.7612771418305089
+C[n+]1cccc(c1)C(=O)O,0.16972869372098165
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7676645925226047
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.7994511163044502
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.18529126268418028
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.809386430924632
+BrC(C1=C(Br)C(=O)OC1)Br,0.7574303195163844
+c1scc(n1)c1nc2c([nH]1)cccc2,0.5798208006221105
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.7238614403499958
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.8323373272398371
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.42490108383543024
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.1930634494597616
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.4268061996150401
+Nc1ccc(c(c1)C)C,0.6986979244390584
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.21342025913972887
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.1935931184366563
+ClCCP(=O)(O)O,0.3997520841708956
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.14482457829902495
+CCN(c1ccc(c(c1)O)N=O)CC,0.4191403581452679
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.11705000884186235
+ClCCC(CBr)Br,0.798806540454827
+CN([N+](=O)[O-])C,0.5612083188264458
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.6293267416423696
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7227565878334585
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.3094114198866415
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.499083268635959
+C=CCN=C=S,0.467303730378327
+Fc1ccc(c2c1ccc1c2nccc1)F,0.7660458891142664
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.6944770397052432
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.4577211124702856
+OCCc1cn(c2c1cccc2)N=O,0.6190810690792468
+CCOCOCC,0.31684509899639896
+CC(C[C@H](N)C)C,0.14403176223279854
+CC(=O)N(C)C,0.33798822269529416
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.32937151743523657
+COc1ccc(cc1)CN(N=O)C,0.773848775875181
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.6811703010509624
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.18063900417465423
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.8273845079733156
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.806987747840702
+ClC/C=C/CCl,0.7867706194206074
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.20021317497676192
+ClCc1ccncc1,0.42738621000752597
+CNC(=O)c1ccccc1,0.27777044217635677
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.6851550884888953
+CCCCCCCCCCCl,0.23561147324421905
+Cn1sc(cc1=O)Cl,0.6763285957720342
+BrC1=C(Br)C(=O)OC1,0.7236961506661822
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.540924974617302
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.2632280911818002
+CCOC(=O)N(N=O)CC,0.8278333060256365
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.3359961488060997
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.1746621924071327
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.19366836438280638
+COC(=O)c1ccccc1N,0.3989313908635154
+ClC[C@](CBr)(Br)C,0.4834671538732501
+COc1ccccc1CC1CO1,0.8282086890720289
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.3385455069709411
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.180221200303698
+CN1CCC[C@@H]1c1cccnc1,0.35731974755265156
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.1443324980841034
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.40434152505615417
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.6096732369875016
+ClC[C@H](Cl)C,0.7380324948972036
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.34359914813011067
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.7781663100732232
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.5780109241208071
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.4445418415018419
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.8126091056728851
+Oc1ccc2c(c1)cc[nH]2,0.29629787936834406
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9159036568380696
+CNC(=O)N(C(=O)NC)O,0.4139319850279664
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9214665813467342
+OCc1ccc(cc1[N+](=O)[O-])N,0.7277702228158249
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.25848558888376305
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.32902105591945285
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.8201039465014557
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.22196991200044072
+CCCc1ccc2c(c1)OCO2,0.3903630070577791
+Nc1cccc(c1)C(F)(F)F,0.183386042457705
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.2555847139542683
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.8734620754968185
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.8078488103313314
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8984673844052825
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.12263558765662821
+BrC(C1=C(Br)C(=O)OC1O)Br,0.7879363642366772
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.14024104412940674
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8219678031110724
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.26396107267693997
+NCCCNCCCN,0.222053199533039
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.8191640642396641
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6385516956396141
+CCOC(=O)CNC(=O)C(Br)C,0.6021255510293047
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.8399161819287354
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.11986018900801843
+OC(=O)c1cccc2c1snn2,0.36790313284886395
+ONc1ccc2c(c1)cccc2,0.7217838095991919
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6117210738306985
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.6181075210497379
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9328591240920096
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.07915776892560716
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.5034810816228338
+COc1nsc2c1cc(OCC1CO1)cc2,0.8808735359383739
+Cc1ccccc1c1nc2c(o1)cccc2,0.5713640164876753
+Oc1ncc(c(n1)O)F,0.29128846888727034
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.12228950420789678
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.5991804285478868
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.7738317179421703
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.2629041961488688
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7723863316824162
+C1CCC2C(C1)CC1(CC2)CO1,0.3097465884554788
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.18653054891034207
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.3300703848467569
+C[n+]1ccc(cc1)c1ccccc1,0.4006499593842323
+NC(=O)Nc1cccc2c1nccc2,0.527447792661427
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.5923960207702743
+CCC1OC1c1ccccc1,0.6503415474518198
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.9146995264936426
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.20890551288852602
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.5790341908707898
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.22965921992356078
+Sc1ncnc2c1[nH]cn2,0.6109743233258048
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.42829107109974657
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6223314370319828
+O=CN(c1ccc2c(c1)cccc2)O,0.6955013043384863
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.45960815588514853
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.6280497142339523
+C1CCCO1,0.3924246067796061
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.24327835908557993
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.20838712768652193
+FC(C(C(Cl)(F)F)(F)F)Cl,0.17455774277923225
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.6735081189401693
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8450829017321633
+CCCCCN(CCCCC)CCCCC,0.10424623661972744
+Nc1nc2c(n1C)ccc1c2ccnc1,0.8949225985910105
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.12890195578705377
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.09518965176561991
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.6618681047855123
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8729385363067008
+OCc1ccc(cc1)[N+](=O)[O-],0.781996009685469
+COCCOCCO,0.2881538590283236
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.2795649030334563
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8852941327057758
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8883976420931828
+CN1CN(C)CSC1=S,0.5482044777207817
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.18502369259094034
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.7922039288600679
+CCP(=O)(OCC)OCC,0.20265703264837845
+OC/C=C/Cl,0.6458844586479797
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.12493100356131617
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.33940606839745896
+O=NN(C(=O)C)C,0.7832645699180824
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.4403195334380011
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.4524724914904998
+N#C/C=C\C#N,0.24428068248669532
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.835911308264603
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.2689987342566823
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.2943006485801917
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.7822860882141371
+C/C=C/C=O,0.6358099480062464
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.13257382495234313
+CCCSSCC=C,0.317267700012951
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.08821222892592935
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.27676956042220435
+Brc1ccc(cc1)c1ccccc1,0.41268700181087803
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7933988408164606
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.6437070965097441
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.2029007368389138
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.8444224135843336
+S=C1NCCN1,0.40678286753094145
+CCC(=O)O,0.17735594011539751
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.7924842129628299
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.7942811167260265
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.17097371559559327
+Nc1ccc2c(c1)c1ccccc1n2C,0.9208885312259332
+OC(=O)CCC(=O)CC(=O)C,0.19323671981207338
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.7068901930233122
+O=C(c1ccccc1N)OC1CCCCC1,0.22743835424349979
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.0973385005668725
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.857696710829373
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5633040278735709
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.2465922881204856
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.5320956444555499
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.36950875878415335
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.3891987895475987
+CCc1ccco1,0.25652604436686827
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.3974377876912451
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.4260259431835523
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.5971004206233137
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.17191581433520045
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.833350677594402
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.6904772677262373
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.1458883309038173
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.23935640915724682
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.3012921937959166
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.8127798247055691
+NCCNCCNCCN,0.4106203789985302
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8587081307849641
+NCP(=O)(O)O,0.22397758772342108
+COC(=O)CC(=O)OC,0.2723437332895975
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.14504057744473453
+Nc1ccc(cc1)Nc1ccccc1,0.7843846371273618
+C/C=C\C=C/C=O,0.5865239408685062
+OC(=O)c1cccc(c1)C(F)(F)F,0.18541669163033078
+CC(C[C@H](O)C)C,0.11325337576038891
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.6463993926919847
+COc1ccccc1N,0.6497513162480417
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.802890195393215
+OC(=O)CCN=N#N,0.5864558677986098
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8912418534208806
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.6416904024309668
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.5531580789027956
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.16184670211763755
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.5607966347693056
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.460426142859133
+FC(n1c(C)n[nH]c1=O)F,0.522441178500928
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.12160842307758617
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.6295769312816716
+O=C=NC1CCCCC1,0.5865606515728538
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9160273570096741
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8337208071373782
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.8032204274737194
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.1517999143491631
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9172319774367446
+C[C@@H](ON=O)CC,0.8245168974389813
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.8332732547120191
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.7976910318411459
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.564028535017685
+CC(CC(=O)C)C,0.16602906225722408
+CCCCCCCC(=O)O,0.11618988091419057
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.8140659052834591
+COc1cc(ccc1N)[N+](=O)[O-],0.8359443639384021
+OCCN1CN(CCO)CN(C1)CCO,0.2908697536500916
+OC(=O)c1ccc(cc1)N,0.332325878154133
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.3342555818162585
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.33926631135962604
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8642081852791595
+OC(=O)c1ccc(cc1)C,0.2079480994799833
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.23865885667762157
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8424989955759583
+ON(c1ccccc1)C(=O)C,0.4520112166888917
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.770963227177205
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.75794791060396
+OCCCl,0.699375352016649
+CNC(=O)CSP(=S)(OC)OC,0.3817564010572401
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.2909191287187566
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.6321279579585146
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.929141920935509
+OCc1c2ccccc2cc2c1cccc2,0.743246451102842
+[O-][n+]1cccc2c1C=CC1C2O1,0.456500115021794
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.19232031524725116
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9195174986322852
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.2609270561847135
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.8841799865857419
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.2943016672776697
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.7690872411642473
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.09456827035948552
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.1643572176018046
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.7251311288276562
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.26756507219196035
+CCCCCCCCCCCCCCCCCCN,0.1284840166995639
+Cc1ccccc1Br,0.17799070898977157
+COC=O,0.44065498726907193
+OCCCCN(CCO)N=O,0.8271603140293113
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.21335109397283086
+CC(=C)C#N,0.44340505644325545
+BrCC(=O)Nc1ccc(cc1)C,0.5258949724308094
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.8101509388754996
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.1957735113832038
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8778337336149961
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.3190795572167316
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.19662231016866097
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.17582124262605173
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.909003490180969
+CCCCON=O,0.8163981576568168
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9205273149398904
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8763280182369054
+CC1CCC2CC1C2(C)C,0.12898490778790092
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.7078523713040232
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.4690631042113034
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.14064647085851925
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.3690592599984564
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.4096722663924191
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.3020107182832634
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.15599616988896153
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.37321190599575566
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.7641096432935247
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.8376189099314802
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.7196222552959262
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.11253481601956149
+CCC(c1ccc(cc1)O)(C)C,0.16042158861985395
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.6520216777932983
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.7951238343405549
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.8648494217676174
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.10682424805989978
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.36982273491897694
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.08022832372367386
+ClCCCBr,0.767624143358342
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.23456860540325689
+ONc1nc(N)nc2c1nc[nH]2,0.5871706921320715
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.17222599548718404
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.7161441488739227
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.2767242006675594
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.4288995562795525
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.09850046628478659
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9146372399591387
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.8189680240227255
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.28851876096446405
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.3344450287939863
+OC(=O)c1ccccc1S(=O)(=O)N,0.15726032066163617
+Cc1c(C)cccc1N,0.538405002289058
+CCOC(=O)CC(=O)C,0.2094848992527325
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.8249893310033127
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.17116240282194156
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.6679639599613688
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9211593113602274
+Clc1ccc2c(c1)nsc2N,0.5809928930043342
+CCCCB(CCCC)CCCC,0.11502284469953108
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.15308425010335908
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8003195962227716
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.23298089653517656
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8538747540896409
+COC(=O)C(CSCCCl)N,0.6623397447673093
+CNCC(=O)O,0.27878786245426396
+Sc1ccccc1,0.1564820653108377
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.21950562043878824
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8131473724476965
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.8922732723657026
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.88202197879217
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.5137352828697852
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8707332614817336
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6330280361638363
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.9049986531795189
+COCCl,0.6480630944322765
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.31319250082029493
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.0883188464047041
+COc1cc(/N=N/c2ccccc2)ccc1N,0.864133775160618
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9058415731091346
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.44712240930023245
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.3236538049879621
+O1C2C1c1cscc1-c1c2csc1,0.7355937009831451
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.20216229126564322
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8890450958836028
+SCCc1cnccn1,0.36572597268474066
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.14704910743025473
+C=COCC(F)(F)F,0.2863494822002706
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8252385095277274
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.48766691303756293
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.921850065873709
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.6252044363907727
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.7944172741190908
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.5749694884091818
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.08744530942862964
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.7928692129176661
+OC(=O)CCC(=O)O.[Na+].[Na+],0.09752969933045058
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.6701780111741691
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.2572494638715945
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.21410416494568058
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.6231175937334981
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.8371331424452815
+OCCNc1ccc(c(c1)O)C,0.2748304108077073
+C[C@H]1CS1,0.3449617749695221
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.7191000387716604
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.734196527368087
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.10095533165375721
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7666099155438922
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.12180226890185009
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.1575149273360564
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.5387082063496045
+CNCCCC(=O)O,0.24648834817840798
+CCSCCOP(=S)(OC)OC,0.24146200632627543
+Cc1ccc(cc1)NN=NCc1ccccc1,0.74990517285832
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.6040975999873239
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.8000516065632708
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.18100452520820295
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.8898032283319726
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.727974888257341
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.2969248076776309
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.6097533555162854
+O=C(c1ccccc1O)Oc1ccccc1,0.26709555821020514
+Nc1ccc2c(c1)s[nH]c2=O,0.4195798264033503
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.6085765489215421
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.5934253381912092
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.33142889669484527
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.684150346506228
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.29872794449374285
+O=NN1CCSCC1,0.7461169570233025
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.1575358701760068
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.2961100092446382
+Cc1cccc(c1)N,0.24078620569735373
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7608654158671679
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.1728609549479426
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.4050286710555678
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.8884628167657148
+OC(=O)Cc1ccc(cc1)N,0.27987306210403584
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8179894141612074
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.6064062578181209
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.8600195219295065
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.13004227428459814
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8229236244558684
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.73964684259084
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.2583813342155841
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.35127603567423854
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.22931139165243433
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.38119216552411783
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.34327547631153527
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.8506360662322855
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.8540880407045243
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.581439569010273
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.8890057359766897
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.22564245995252358
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.1883705115426459
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.8273667546645156
+c1ccc2c(c1)snc2,0.24059967297520585
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.16424982680402145
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.7455165021548814
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.27376185156694505
+CN(c1ccncc1)C,0.2595225340074892
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.7744565878902723
+O=C1CSC(=S)N1,0.5896378301181577
+CCOC(=O)C(=O)C,0.3878665630594759
+OCc1ccc(cc1)Cl,0.18342577990531253
+Cc1cccc2-c3c(C(c12)C)cccc3,0.8347327156963342
+Sc1ncc(c(n1)O)C,0.2574291229440083
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.23158185318330374
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.264155565352917
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8557591510956066
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.8099178707443104
+Nc1scc(n1)c1cccnc1,0.6699959922180384
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.25970854806287524
+Cc1nsc(c1)N.Cl,0.4742027964082529
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.10469114631630026
+OC(=O)CCCCC(=O)O,0.21600852608879967
+C[N+](Cc1ccccc1)(C)C.Cl,0.14930823482506772
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.619191461325116
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.1632728622401458
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.18929583314684909
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.4263391648072347
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.14599622819112423
+CC=C,0.27356211638146866
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7972190493054513
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.7765741891633309
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.3080875054292434
+C[C@H](C(=O)NCc1ccccc1)Br,0.6532830787569024
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.10466306796650689
+NC(=O)CCCCC(=O)N,0.30472320349978965
+C[C@H](CN)O,0.1902176074841967
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.7867819995527268
+O[C@@H](c1ccccc1)C#N,0.2835152337151832
+O=C1CCCCC1=O,0.2995621780355258
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7482571027916805
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.1267536121404299
+CCc1ccc(nc1)C(F)(F)F,0.2599429671736362
+CC(OS(=O)(=O)C)C,0.5172304037155475
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.8709844019357718
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.13158874128500178
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.37979457511155823
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.6893419232070991
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.6453977893549865
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.2062899138878627
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9027406449001066
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9013398112885986
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.45329520504827503
+C=Cc1ccncc1,0.19664605808464888
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.42346030758990216
+OCC([N+](=O)[O-])(CO)Br,0.39660785649353497
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.3290459538127744
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.12036734173924118
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8628214385596633
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6078307730044049
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9015049274920566
+Cc1ccc(cc1)/N=N/N(C)C,0.7955357684630795
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.7844617099341243
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.6846243248432707
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9239148604535369
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.25533831058228995
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.34729418403120804
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.704761970316535
+C[n+]1cccc(c1)OC(=O)N(C)C,0.1916065327900395
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2360561238822577
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.6892818827630299
+CC12OOC2(C)c2c(O1)cccc2,0.49040720245857095
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8473719414610928
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.11016702666723335
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.5719012673705475
+OC(=O)c1ccccc1,0.11250598329303711
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9000881545065487
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.4501328274534841
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.9106635344989051
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.23534548617145884
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5711160539518728
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.8341762744576098
+CNC(=O)ON,0.5915890508344005
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.38528876186238364
+FC(C1=C(C=N[N]1)C(=O)O)F,0.31449698491636285
+OC(=O)c1ccc(cc1)C(=O)O,0.21613832014651066
+Cc1c2ccccc2cc2c1cccc2,0.8351397999721552
+ONc1cccc2c1cccc2,0.6485846935340744
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.8847415773363563
+C=CCc1ccc(cc1)O,0.2863459173242266
+CCOCC(=O)O,0.3108954781697409
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.12783611735728187
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.1765292941755088
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.6747304265773655
+O1CC1Cc1ccccc1,0.7568665237126077
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.27478270728237575
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.23072871875934384
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.2424227005874851
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.28040180062207953
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3909838162540727
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.11077648914214994
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.8149883192666416
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.1737838572233812
+CCCCCCNCCCCCC,0.12952741410556956
+O=NN(Cc1ccccc1)C,0.7767791027706885
+CCNCC,0.16169607392507235
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.5910383413005161
+Cc1ccc2c(c1)cccc2C,0.4494777627288308
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.20896379186704547
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.16688856063678023
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4230523911920027
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.26885812144811544
+ClC(=O)c1ccccc1C(=O)Cl,0.4339318018775486
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.907538156119007
+OCCC(CCC=C(C)C)C,0.08155025436692219
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9087074074996917
+Clc1ccc(c(c1)C(=O)O)Cl,0.1202306955499224
+N[C@H](C(=O)O)CSCc1ccccc1,0.3155378342339556
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.36839620827738695
+COCCOC(=O)C,0.3586787779287565
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.5504571173904402
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.0904822333021145
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.08558709397016995
+N#Cc1cccc(c1)[N+](=O)[O-],0.6504062267408632
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.3770950935885658
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.6746934382968793
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.12887027980978782
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9074283400098334
+CN(C(=N)N(C)C)C,0.3468175891689311
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.6154111906271422
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.23407642688557867
+NC(=NC(=N)N)NCCc1ccccc1,0.40112019672163013
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.8928525509608708
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.80548168939017
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.2411242583289051
+CC(=O)NC(C(=O)O)CSCCCl,0.7420266084703552
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.6450329259372395
+COc1c2ccccc2nc2c1cco2,0.714512151119278
+OCCCBr,0.7881150452546862
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.568472379814176
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.1049378854479602
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.22810465011116166
+n1ccncc1,0.22035721753357468
+CC1(OC1)c1ccc(cc1)Cl,0.49644154923199674
+OC(=O)CP(=O)(O)C,0.17569245678624154
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5546551484699765
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5504730834364551
+N#[N+]c1nc[nH]c1C(=O)N,0.40732478689675694
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.3805166704774568
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.925500677415777
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.31448857906393823
+NC(C(=O)O)COC(=O)C=N#N,0.6950436718532995
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.1348095749329828
+Clc1ccccn1,0.19661639814253612
+Nc1nc(N)nc(n1)Cl,0.2250232380625347
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2421111522886079
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.8021072483118101
+Cc1cccc2c1-c1ccccc1C2C,0.8728149205051127
+ClCc1ccccc1,0.2903540899397948
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.6629741529413101
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.725105220302783
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.5834027709860493
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9064424570451395
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.11098688502094106
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.8669591470745913
+O=c1ccc2c(o1)cc1c(c2)cco1,0.5749660097506811
+OC(=O)c1cccc(c1N)O,0.3590881500454601
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.158399134666691
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.8032328215201836
+CC12CCC(C2(C)C)CC1(C)O,0.09476488609734192
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.8845090069564592
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7559923366927203
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.11217150433738088
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.2599586772526573
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9087102159036574
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.7302199817898398
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8979146570475649
+Nc1cc2nc3ccccc3nc2cc1O,0.8559464236152655
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9179782535528034
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.18083393372764486
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.8686192445494999
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.5338792970519272
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.13579537885760046
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.11915287242376876
+COC(=O)c1ccccc1NC,0.3610889438775235
+OC[C@H]1CCCO1,0.28296500770167354
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.4699011450782777
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.4306998669914196
+CC(=O)Nc1ccc(cc1)C(=O)O,0.2595506616275507
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.7924477171096969
+O=NN1CCNCC1,0.858567524881356
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.5910713985233744
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.8065008624064561
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.8344308069868513
+CCOc1nc(NC(=O)N)nc(n1)NC,0.2814892568667166
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.23674754787045654
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.3233806262633162
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.24817735866978954
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.1264233078794673
+C=CCC[C@H]1CO1,0.6674670172940326
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.09626713106125456
+S=c1scc(s1)c1ccccc1,0.4278203727257301
+Brc1cc(Br)c(c(c1)Br)O,0.16727040673576937
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3506752172340006
+O=C(C(=O)c1ccccc1)c1ccccc1,0.327867424848187
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.6980748694678279
+Cc1cc(=O)[nH]c(=S)[nH]1,0.2528527013085246
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.7494448876018108
+N#Cc1ccc2c(c1)nc([nH]2)N,0.6144855079035084
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.3196377212088114
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.39647383067165853
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.12357389407872252
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.8843026366457595
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.11268132780569741
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7538553973497955
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.6615239409977505
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.8260960479997603
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.23412365872431107
+ClCCNc1ccc(cc1)CCCC(=O)O,0.4909059496624378
+O=NN1CSCC1,0.7779379307566506
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9076762404485086
+c1ccc2c(c1)[nH]cc2,0.24935229805294185
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.1200125717456714
+C1CNCCO1,0.28786726412345626
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.1812333443506814
+O=C(c1ccccc1)/C=C/c1ccccc1,0.34285003501999467
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.803835721650701
+N#CC1=Cc2c3c1cccc3ccc2,0.783751132912814
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8141753086821107
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.303139744848149
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.37637645333923
+COP(=O)(OC)O,0.32683833222377284
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.4138458709517192
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.40794051901758144
+BrCCOC(=O)C=C,0.6154534417471059
+CC(COC(=O)c1ccccc1N)C,0.20938463626379158
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.885363027760675
+C#CCOCC[n+]1ccccc1/C=N/O,0.4508453629040958
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.2081428767709895
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.823915452934561
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.11088433662246358
+Oc1ccc(c(c1)C(C)(C)C)O,0.2037945123656577
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.8194001129401527
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.10010692236501541
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9169473913439911
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.3994427385192357
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.21060865397911868
+O=NN1CCCCCCC1,0.7651001514460793
+O=C1c2ccccc2C(=O)C1(O)O,0.34628570026488464
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.43957149599308837
+Fc1ccc(c2c1nccc2)F,0.6508999980522813
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.4264157306762169
+CC/N=N/O.[K+],0.8350796229745585
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.8947072152294425
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.24493427921918187
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.12630553242088044
+Oc1cccc2c1cccc2,0.4842267105804295
+c1cccnc1,0.20705438629719575
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.3244498827294148
+Cc1ccc2c(c1)nc([nH]2)N,0.535774986725085
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.3562226407769232
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6066190024204805
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.23918106243555115
+OC(=O)/C=C/C(=O)CC(=O)C,0.21823756596234786
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.7703273367671196
+OC1CC=Cc2c1nccc2,0.33909707344840945
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.3427569363059132
+CN(/N=N/c1ccc(cc1)Cl)C,0.8120401986852216
+O=C1CCCCCN1,0.2362839321516411
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.17315094100576767
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9319783287602733
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.3189155228895688
+CCNC(=O)CC[C@@H](C(=O)O)N,0.2919531821290744
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.15708934970663416
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.6906595590535677
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.7110674122828619
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.3957584500665384
+N#Cc1cccc2c1nccc2,0.6415241211806196
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.8087277986187583
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.49178103126655826
+C(C1OC1)CC1OC1,0.7724266774848173
+OCC(=O)CO,0.25269745233955787
+N=C(NC(=N)N)NCCc1ccccc1,0.3382909370898025
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.1642319020517218
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.42607546213777375
+CNc1ccccc1,0.2612659636201369
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.7157544611046421
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.19416520900601664
+NC(=S)Nc1cccc2c1cccc2,0.6134857786929292
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8833704857660017
+N#CCC[C@H](C#N)C,0.23929896723490202
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.38471309159489725
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.7111868709520616
+c1ccc(cc1)c1ccccc1c1ccccc1,0.318410860770816
+N#Cc1ccc(cc1)C1(C)OC1,0.710254332287567
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.4907402159613619
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.4132469807855193
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.1441082807405514
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.6289262070134337
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.8190264612136151
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.5960001900977624
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.2742937184168038
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.6434576420764114
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.23351460885764683
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.14497937275798434
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.3096845582126104
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.3882791074708256
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6121293618324547
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.3908134909526947
+Nc1ccc2c(n1)c1ccccc1cc2,0.9094447441553996
+C/C(=C\C)/C#N,0.19764508462916797
+N#N=NCCC(c1ccccc1)c1ccccc1,0.6060412649891774
+Nc1ccc2c(n1)cccc2,0.6413512040001127
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.8883398080242065
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.9083266627311959
+O=C(C1OC1)Nc1ccccc1,0.7455058577672433
+O=c1ccoc(c1O)C,0.3557221948534829
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.18444909735815496
+Nc1cccc2c1cccc2N,0.7652479863238718
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.8370235394348964
+COc1cc(C=O)ccc1O,0.2666007242210831
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.203678521074874
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.8716101818311215
+ONc1cc(C)cc(c1)C,0.6575130461115825
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8424769031240057
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.7858614461454219
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.530187542588291
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.8926216384383364
+Cc1cc(nc(n1)N)C1CC1,0.3988795970055118
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9190074505507273
+CC1CCCC2(C1(O)CCCC2)C,0.10926946194805803
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.3861953331802886
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9147991979037182
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.4000050476153576
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.16692863986063664
+NC1=N[C@@H](CS1)C(=O)O,0.3914032460077049
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.8316978621178341
+O=NN1CCOCC1,0.7826157678842036
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.8689934930413767
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.34294087512034277
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.18359334383688486
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.12827189648933865
+OCc1ccc(cc1)C#N,0.35629210180873033
+CSCCC(C(=O)O)N,0.32369145635573515
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.9140631874367929
+CC(=O)OC=C,0.3278772851677308
+Clc1cc2ccccc2c2c1cccc2,0.813483293496179
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.47687010552158776
+Nc1ccc2c(-c3ccccc3C2)c1,0.8907056511113205
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.7305532082243427
+CCCCCCCCCCCC[C@H]1CO1,0.1151527492604095
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.3971031960078503
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8493958362604808
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.803761564829194
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.14787049932163754
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8567161746612805
+OCCNC(=O)[C@H](O)C,0.5885095422440265
+COc1cc(C=O)ccc1OC,0.35885729579847325
+C=CCN(CC=C)CC=C,0.2433954507074292
+O=NN(CCCC(c1cccnc1)O)C,0.5970045669281598
+CCCCC/C(=C/c1ccccc1)/C=O,0.3130158371240648
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6900176857403612
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.10683245674843528
+NNc1nncc2c1cccn2,0.7394666430313694
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8753444060322538
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.853680946738613
+CCOC(=O)N(CCOC(=O)C)N=O,0.7904528682766612
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8328286072392115
+Cc1c(C)cccc1C,0.13320263617713557
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.8089695759089134
+CCOC(=O)CC(C)C,0.1533185884035492
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.3889459296566713
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.2741384194238285
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.18279819225245084
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.6907875990683998
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.5727411709698252
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.7344119967561268
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.15780573096004807
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.5946092840744517
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.17985653207400443
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.8614032082880052
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.8392348237605279
+ClCCN(C(=O)NCC(=O)N)N=O,0.786648962664252
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.802361546074538
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.42576709805650564
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8351760325450441
+COCCOCCOC,0.2810607599391624
+Oc1ccc2c(c1)nccc2,0.31195415332449783
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.22089399896216003
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.21781824183456064
+CC(OC(=O)Cc1ccccc1)C,0.2021212818062373
+Fc1cnc2c(c1)c1ccccc1cc2,0.8454979731287006
+O=CCCN(C(=O)OCC)N=O,0.8446933093714691
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.6838185019968952
+c1ccc2c(c1)c1ccccc1cc2,0.6772661495618083
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.13366622220207044
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9059543533074081
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.4437806527693418
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.6377301520349387
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8272855537538022
+O[C@H]1C=CC=C[C@@H]1O,0.4871988428789496
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.884767744723645
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9112287205926521
+C=CC(=C)Cl,0.4975885748030513
+N=c1nc[nH][nH]1,0.5227737256858579
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.6385454638086169
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.5659967795871241
+COc1c2cc(OC)ccc2nc2c1cco2,0.8476453878867498
+FC(OC(C(F)(F)F)Cl)F,0.25606500703206636
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.6225621954726711
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8076430937924389
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.6821601749625084
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.6744121068463982
+ONc1cc2c([nH]1)cccc2,0.59160085242829
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.48154305786568774
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9305700440412688
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.20330364019613753
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.5008459050378016
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.8404302416529179
+CCCC,0.21408217451696537
+N#Cc1ccc(cc1)[N+](=O)[O-],0.8505949830276899
+Cc1ccc(cc1)C(N)C,0.4496550918861554
+O=CN(C)C,0.3835859476358117
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.08842048938742728
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.2864306123801336
+BrC(=C)C(=O)O,0.43628710073810273
+Clc1ccc(cc1)S(=O)C,0.2019277304970972
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.12842747165534132
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.732362801471145
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.37025903861216464
+Cc1ccc(o1)C=O,0.3113362127917921
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.33039984560249697
+O=C/C=C/C=C/C=O,0.4509865737223142
+Oc1nnc(c(n1)O)C,0.26933220204628006
+ClCc1c2ccccc2cc2c1cccc2,0.8306750917425225
+COc1cc(N)cc(c1N)OC,0.502656488104738
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.17258077345878597
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.8260537335111307
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.8826110924065051
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.7918017885014794
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.34265906470553537
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.1582820546727418
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.7400917442082311
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8675491484885248
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.24984276655431467
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8578867280433322
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.3019547735767893
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.1967100542776008
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.8294294567324589
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.5825094014645502
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.34077109728794486
+CCSCCSP(=O)(OC)OC,0.3848447299377156
+N#CC(=Cc1ccccc1Cl)C#N,0.5360665548700397
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.704245418280262
+O=C1OC(=O)c2c1cccc2,0.3257047601232708
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.6617037733132131
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.3934097734083582
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.1656298292055094
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.1717801127910683
+OOC(C)(C)C,0.37657400006828995
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.800706145511912
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.14247004971508334
+O=Nc1nccn1C,0.551083191321206
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.7095368788316717
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.3374739959883099
+OS(=O)(=O)c1cccc2c1nccc2,0.22182572209004853
+OC(=O)Cc1ccccc1Cl,0.1882073018451882
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.6882902711637989
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.14151257286009222
+Nc1ccc(cc1)Oc1ccccc1,0.7798323043070755
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.11542304518668535
+N#CC(C(C#N)(C)C)(C)C,0.20113242558597982
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.12167709790845349
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.19582791015874743
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.8759722534472011
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.8559790021182332
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.116351576520552
+Cn1c(N)nc2c1cc1ccncc1n2,0.6850291878028646
+CCCCCN(N=O)CCCCC,0.5844224466097071
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.24981090595375435
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.16978384660808482
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.28444544429101987
+Nc1[nH]cnc2-c1ncn2,0.5340974828129078
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.16542536308929787
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7112075008450367
+OCCNCCO,0.4436621610475014
+NC(=O)c1ccccc1O,0.2869700958936161
+OCC(=O)O,0.24209901292409494
+c1ccc2c(c1)c(ccc2)CC1CO1,0.8535740701667852
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.8134485715944909
+OC1OC(=O)C(=C1C)Cl,0.6843567518869749
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.8982568735298235
+CC1OC(C)CN(C1)N=O,0.7779400941975582
+COP(=O)(SC)OC,0.34552092250923927
+COc1cc(OC)c(cc1C1OC1C)OC,0.6126000893521215
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.29985069086610405
+CC(COS(=O)(=O)c1ccccc1)C,0.37708582811531316
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.12759843024410616
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.896711983922673
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.18383795714726706
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.9100902284839145
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.810026602080505
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.574072080685598
+CCCCC/C=C/C=C/C=O,0.192128245377503
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.28222913464355087
+COc1cc(=O)[nH]c(=O)[nH]1,0.2891492841605125
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.6792123604333532
+OC(=O)COc1ccc(cc1C)Cl,0.16864695013642972
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.8263161834005148
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.10873679448137222
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.21935958369391725
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.2888982115068729
+NCC(=O)Nc1ccccc1.Cl,0.573666984067322
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.6990782554268548
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.3466043272438143
+CCCCCCCCCCCCOS(=O)(=O)O,0.16386270896557256
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.13842456980296627
+OOC(N=NC)(C)C,0.7132843851310027
+CCCCC/C(=C\c1ccccc1)/C=O,0.3130158371240648
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.17231361283072652
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.2777592835139619
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.35058506759391517
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7499882623664412
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.20120588521003618
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.13581414728774185
+Nc1cccc2c1snc2Cl,0.6162659356955361
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.6863594847023206
+Nc1ccc(cc1)Sc1ccccc1,0.5766262039204004
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.8140984682195189
+Oc1ccc(c(c1)O)C(=O)O,0.28541609132069773
+Nc1cccc2c1c1ccccc1cc2,0.9096334929403399
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.8154205256844675
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.35103371070539763
+CC(CC(=O)CC(C)C)C,0.14042054855146258
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.9042014960834198
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.5335827600104971
+CO[P@](=O)(NC(=O)C)SC,0.2707438504306828
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7842221831597809
+ClCC(CCl)Br,0.7999864074804921
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.3418319034032345
+Nc1sc2c(n1)c(C)ccc2,0.6399689231544265
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.8308675949860697
+Clc1cc(O)c(c(c1)Cl)Cl,0.1321502990381529
+OC(=O)[C@H](O)C.[Na+],0.1607724752954543
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.8719645240889319
+COc1cccc(c1C(=O)N)OC,0.3180218920952469
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.460447343755157
+FC(Oc1ccc(cc1)N)(F)F,0.24811861199642088
+C[n+]1c2ccccc2cc2c1cccc2N,0.9281544085408229
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.5871515944942375
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.1604170089651624
+OC1=C(O)C(=O)C1=O,0.35713204501531876
+ClCCOC(=O)Cl,0.7109981491124526
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.1505590987489334
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8289719391401413
+CC(=O)NNC(=O)c1ccccn1,0.3522428281756622
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8158254273420802
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.2905831233021492
+CCC(=O)O.[Na+],0.15568578264176477
+C=CCc1ccc(c(c1)OC)OC,0.3957876208139453
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.1932349587187348
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.7018163115391401
+N#Cc1ccccc1,0.21219380847394007
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.14786716241461623
+BrCc1ccc(cc1)CBr,0.2537389259451783
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.1618882197216449
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.2828590715592243
+COCC=O,0.4162453463231111
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.8399654365860939
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8199585247729276
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4667601541875502
+[O-][N+](=O)c1nccn1C,0.5694947734228368
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.14772745015338418
+CC(Nc1ccccc1)C,0.2706072064069466
+[O-][N+](=O)c1cccc2c1cccc2C,0.8830424144190928
+O=C1NOCC1(C)C,0.4456800427136638
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.7372792904121341
+C=CC(=O)OC(C)(C)C,0.22207731229128694
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.7636755777933651
+Fc1ccc2c(c1)sc(n2)C(O)C,0.4163406415741016
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8342522324517997
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8157457716205622
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.19892911244955186
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.2579312814504036
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.7786315105018901
+O=C1NCC[n+]2c1cccc2,0.3386377350747029
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.674512528530588
+O=NN(C(=O)N)C,0.5970823749693315
+CCN=NC(OO)(C)C,0.7281234435830637
+ONc1ncnc2c1nc[nH]2,0.6193343557897985
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.251932977664468
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.771918771206127
+CNC(=O)O/N=C\C(SC)(C)C,0.2897103211882902
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.7588260839221302
+CCC(=O)Nc1snc2c1cccc2,0.3633260877025498
+COc1nncc2c1nccc2,0.42783182752177307
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9038410426421489
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.8316365911257699
+ClC(c1ccccc1)Cl,0.3525796004366559
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8598022394704186
+CCCC[C@H](COS(=O)(=O)O)CC,0.3446573337181848
+CC(C1CCC2(CC1)OC2)(C)C,0.16904573433861236
+Nc1ccc2c(n1)n1ccccc1n2,0.7831265399809063
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.41622723880679763
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.8511744413953198
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.41497520358155116
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.9095772674369088
+OC(=O)C(Cl)(Cl)Cl,0.4860771589652923
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9296613598570694
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.5423309484654868
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.8607939589044342
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8252939350063748
+[O-][N+](=O)c1cccc(c1N)O,0.5221363238001586
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.43762773997386
+ClC1OC1CBr,0.8509869727550513
+CN(C(=S)SSC(=S)N(C)C)C,0.3426539524893602
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8298511254913664
+[O-][N+](=O)c1cccc2c1csn2,0.7736237007102496
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.8107933050623197
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.7351349363795341
+NCC[C@H](N)C,0.13227578273066115
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9277919701680448
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8231188073701573
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.3242912786309052
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.7972859093160287
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.8673417776278292
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.6958440289842658
+CSCNc1ccccc1,0.4141785749462859
+Fc1ccnc2c1cccc2,0.6340747311960443
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.2595943679407831
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.2633121773837424
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.21864044213812087
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.3504682231040023
+COc1nc(C)nc(n1)N,0.2936124946159031
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.26638154468282
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.8876364066244763
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.9070690060494635
+Fc1cccc2c1ccc1c2nccc1,0.8867735649951075
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.4173965417405805
+CCCCCN,0.12456503398393252
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4109134146268159
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.887145151014445
+CC(CC(=O)Nc1ccc(cc1)O)O,0.2468713475869954
+NCC=C,0.3128197596394553
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.13418615014043858
+Oc1cc2nnsc2c(c1)C(=O)O,0.43686365800405325
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6900176857403612
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.5271628182515603
+O=C/C(=C(/C(=O)O)\Br)/Br,0.42123657929642916
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.473735687827633
+CCCN(CCCCO)N=O,0.9056012570035181
+N#CCc1ccccc1,0.2702759516709545
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.2769847090487794
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.2545680360007115
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6515454472907892
+On1nnc2c1cccc2,0.27954602386314836
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8993812109489848
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.36536583210690504
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.39965483131174573
+C/N=N/O,0.8209792970697568
+C/C=C/C=C/C(=O)O.[K+],0.15056119672196067
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.12579544989255623
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.17151279316940804
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.7779400941975582
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.9064635241067001
+O/N=C/1\C=C/C(=N/O)/C=C1,0.6661779674303563
+OS(=O)(=O)c1ccccc1,0.25271927896148355
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.1585397064575468
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.48752190243277593
+COC12OOC2(C)Oc2c1cccc2,0.5419755745772128
+Cc1ccc(cc1)[N+]#N,0.3971031960078503
+Oc1ccc(c2c1cccc2)O,0.49709630962930856
+OC(=O)c1ccccc1C,0.15932904433138978
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.43804117603925774
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.2070656165005923
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.2671766785515985
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.35110270854279757
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9059722950595266
+c1cnc2c(c1)C1OC1C=C2,0.3982902286344257
+C[C@@H]1CNC[C@H](O1)C,0.24306385113464002
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.8575077295462149
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7333769600761193
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.8457887497540897
+C1CCCCCC2C(CCCC1)O2,0.1413268856731535
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.3008055238393865
+CC(CON=O)C,0.7903365290847147
+CNc1ccc(cc1)[N+](=O)[O-],0.8509847446873618
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8281190934251954
+ClCCCl,0.4399402647751692
+NC(=O)c1ccccc1,0.25861031008411206
+CC[n+]1c2ccccc2nc2c1cccc2,0.8334968342177658
+N1C2C1c1cscc1-c1c2csc1,0.7496369275713016
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.9091607280098167
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.873308144734227
+OCc1ccnc2c1cccc2,0.48726855182762546
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.5155813268350238
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.6828091791823437
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.1449459168805416
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.22545716908094698
+Nc1c2CCCCc2nc2c1cccc2,0.7909383956968066
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.8436321178287882
+Nc1ccc(cc1)Cl,0.3683400885584802
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.849153238174788
+c1ccc2c(n1)C1OC1C1C2O1,0.2869514106204825
+NCCNC(=O)c1ccc(cn1)Cl,0.42653658316497334
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.12373888918440881
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.7096261440498426
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.5137686538714374
+C[N+]1(C)CCOCC1,0.1596546997046143
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8537726111347897
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.32622323177375245
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4426029035129307
+Nc1ccc2c(c1)oc(=O)cc2C,0.35901762841285806
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.2926101337484934
+Nc1nc2c(n1C)ccc1c2cncc1,0.8705215634896152
+O=C1CC[C@H](N1C)c1cccnc1,0.25733933454182895
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.18518587547258586
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.31352144410750504
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.8333947389464713
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.48486900033380886
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8175256178519131
+COc1ccc(cc1)CNC(=O)C(Br)C,0.6769897300873365
+Clc1nnc(c2c1cccc2)Cl,0.366740931792515
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.44708724571436803
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.8556166654875389
+c1ccc2c(c1)cnc1c2cccc1,0.8030897595128704
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.11870254992533058
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.11837384093470864
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.23315682641935603
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.27083855544078494
+[O-][N+](=O)[CH-]CCC,0.3944197903987072
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.10473496019565497
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.12440888953239555
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.7487938601430322
+[O-][N+](=O)c1cncn1C,0.557130143141518
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.8769640082862191
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.6673722290089862
+O1CCOCCOCCOCCOCCOCC1,0.1858174770317132
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.7335886245488817
+ClCc1ccccc1[N+](=O)[O-],0.5355566485285553
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6821792939824753
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.8339536684781931
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.11930098509652881
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.18674433373321567
+CCOC(=O)CC(O)C,0.1888928350390338
+CC[C@H]1CO1,0.5127837014020388
+Nc1ncn[nH]1,0.2704161375758263
+CC(=O)Nc1ccc2c(c1)nccc2,0.4563162233818141
+OC/C(=C(/CO)\Br)/Br,0.4195224954406355
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6172769937477407
+C[C@@H]1O[C@@H]1C,0.3950205159392729
+c1ccc(cc1)Nc1cccc2c1cccc2,0.5276935986921474
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.15157589673503788
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.31113195000722554
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.2037425349116013
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.3455763528263367
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4111835440086414
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.2809599412389672
+NC(=O)c1cnccn1,0.30007910946158267
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.6322923051878376
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.2703779433633214
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.2123752551646851
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9164551780174278
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.10906037757752443
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.12042563622204681
+CC12OOC1Oc1c2cccc1,0.4971249900718023
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.866353971739466
+CCN=C=S,0.6061747356895866
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.3045014616034657
+ClCC(=O)OC(C)C,0.541278962458973
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.21041488076337148
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9323298532501708
+CCOP(=O)(SC(CC)C)SC(CC)C,0.1544585840742863
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.20916246578080044
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.5825094014645502
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.6517540264992495
+CN(N=Nc1ccc(cc1)Br)C,0.8014087784789369
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.09778190286362214
+COc1ccc(cc1)OC,0.36642713549696126
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.3519925042368044
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.13679906961839564
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.20376979091566383
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.8507676500669876
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.6427227513991636
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.4262975865453776
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7307253586985587
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.2446925327832427
+OCNC(=O)C=C,0.3365087399080335
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.7162114029737592
+[O-][N+](=O)c1cccc(c1C)N,0.7355171605566058
diff --git a/crossvalidations/cdk/tensorflow/pred.svm.v4.csv b/crossvalidations/cdk/tensorflow/pred.svm.v4.csv
new file mode 100644
index 0000000..469bfba
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/pred.svm.v4.csv
@@ -0,0 +1,8084 @@
+name,pred
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.6107140381107128
+CCCCCC(=O)O,0.0738669082631687
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8965532408060494
+COS(=O)(=O)OC,0.36429193038173063
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.18381543814335136
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.8384729558179839
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.12677480431963364
+CCOC(=O)OCC,0.15270884344083044
+CCCC(=O)Cl,0.3813325297192367
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.2552670746519361
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9627864080553229
+OC[C@@H](CI)O,0.5621279507087996
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.8737694057138069
+Cl/C=C(\C(Cl)Cl)/Cl,0.8779302046530426
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9452846917948783
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.7699164808146712
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.6837747285600777
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.5693877030889755
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9095085313025455
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.3954761173770995
+C=CCOC(=O)c1ccccc1N,0.4224058187052787
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.3848303225134706
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.09588040869424656
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.4083165295936522
+CCc1nn(c(c1Cl)C(=O)N)C,0.08218395229056699
+C=CS(=O)(=O)C,0.18874556143522134
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.3943322162269061
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.2170982847115215
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.978380804407603
+COc1cccc2c1nc1occc1c2OC,0.8421667266388038
+CN(/N=N/c1ccc(cc1)Cl)C,0.8494612048753523
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9350345193956986
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.18317420916017266
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.026939452551228035
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.8645269245062931
+OCCO,0.357710474142828
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9119917188054462
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8498088923122432
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.23252601152981978
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.279913066124771
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.8640241947192688
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6776296318551027
+COC(=O)C(=C)C#N,0.19560330032965736
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.14357749654734753
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.06203408277885833
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.6924097084417021
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.6137202385268036
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.7886679304356139
+CNC1Cc2cccc3c2c(C1)ccc3,0.6272381555819733
+OCCC(C)C,0.09035664873053333
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.828693120670965
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.932314653781426
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.9637927861545117
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.3605196872446865
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.8106945797487739
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.8110330243016366
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7375025413934438
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.5146554958421851
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.08941592415353884
+CCOCC,0.21715054670462383
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.28333259085061124
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.07241011103904164
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.21478130057477576
+Nc1ccc2c(c1)c(Cl)ns2,0.737363595315846
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.18368135242982417
+CCCCSCCC(C(=O)O)N,0.2333952788024669
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.16888000182337923
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.977208539847455
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.8300476170494957
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.39090693579609487
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.1719048899536405
+C/C(=N/O)/C(=O)C,0.6159163413809124
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.09088283584323474
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8129925517089929
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.585489286559793
+CN(C(=O)OCC)N=O,0.8784798794329725
+ON(c1ccc(cc1)Br)C(=O)C,0.555384022946223
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9747238749869481
+OC(C(=O)O)Cn1cncn1,0.19150911970563417
+NNC(=O)c1ccncc1,0.417554399364643
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.8479729818627159
+CC1=CC[C@H](CC1)C(=C)C,0.03515380334056545
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.13725735099751182
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.29769036244638886
+Nc1cccc2c1nc1cccc(c1n2)N,0.912592126419333
+CCC(OS(=O)(=O)C)C,0.25073851770750233
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.45544814773022985
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.860002545411922
+CNC(=O)O/N=C\C(SC)(C)C,0.355101477267943
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.850077390471623
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.9000683466859044
+Cc1cc(C)c(cc1C)C,0.055572791150581585
+Sc1ncnc2c1[nH]cn2,0.41630827075049454
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9105494286938697
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.694265116792884
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.7803835125942641
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.20064159008812862
+Cc1ccccc1,0.06016731094973639
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8001075571669887
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.14656630143551272
+O=NN(c1ccccc1)O,0.7940731002321327
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.6120695625119051
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.3457639989771505
+ONc1ccc(cc1)Sc1ccccc1,0.5876516917692028
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.23548500316064602
+C=CCc1cc(OC)c2c(c1)OCO2,0.30687539136800474
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.15072526107348197
+OCc1ccc(cc1)C#N,0.40917936516113446
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8454073416597468
+ICCc1ccc(cc1)OCc1ccccc1,0.3793741363203782
+OCC(C(C(C(C(=O)O)O)O)O)O,0.17799177032250663
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9721122277471628
+[O-][N+](=O)c1cccc2c1snc2,0.8926233122864686
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.7967189140947737
+CCOC(=O)N(N=O)CC,0.7363706988212741
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.8598354890996338
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8450945340049566
+ClCCN(C(=O)NC1CCCCC1)N=O,0.8797573183160741
+c1ccc(cc1)[Se][Se]c1ccccc1,0.44917036446671116
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.20535132200093761
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5330006299815832
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.8237767214009234
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.6277904036797748
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.18587089875291754
+O[C@@H]1OC(=O)C=C1CCl,0.674767571406586
+CC1=CC2CCCCC2c2c1cccc2,0.43933241096619485
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.8317632422781519
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.6262176268718037
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9573022103674501
+NCCCNCCCCN(N(N=O)O)CCCN,0.8653582598891711
+Clc1ccc(c(c1)N)O,0.6198095560236401
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.048850780392697316
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9080812422195963
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.9095251916551902
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.13871716820340343
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.8608769985330135
+CCCCCCCC(=O)Cl,0.13300326840418245
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.8394963461673013
+OCCN(N=O)CCO,0.6781314154040937
+CC(=O)N(c1snc2c1cccc2)C,0.5973745149725129
+CCOC(=O)[C@H](Br)C,0.537660178689061
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.6098769893212841
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.8247253353948928
+Cc1cccc(c1N)C,0.5276784102728875
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.383254103682201
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.33683278277780765
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.7552408010224366
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7316297207181399
+Nc1cnc2c(c1)c1ccccc1cc2,0.959534291234905
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.2902920746104296
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.6928355330655465
+CCCC[C@H](CN)CC,0.14194812301225682
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.1787790305581787
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9383413511808455
+CC(=O)Nc1cccc(c1)C,0.20062292804133244
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7166038166516862
+Nc1cccc2c1cccc2N,0.855991120762116
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.21271848927404183
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.06542207312094805
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.6038185089594602
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.12420606886540123
+CC12CCC(C2(C)C)CC1(C)O,0.036824533992425516
+Cc1ccccn1,0.10767354591018212
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.15504276354290003
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.22145280402273976
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9131409449308593
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.8811408681348634
+NC[C@H](N)C,0.45922168918606643
+CCSC(=O)Cl,0.5202234027270262
+Clc1cc(O)c(c(c1)Cl)Cl,0.09737365184914844
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.7937732873226168
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.15394945770540314
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5703031331635118
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.1359650609231584
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.9369077518846685
+Nc1ccc(cc1Cl)C(F)(F)F,0.340852431278929
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.971701103830565
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8569293452499671
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.8691223125681315
+Cn1ncc(c(c1=O)Cl)N,0.7405798907726809
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.9248746559576678
+OCCc1cn(c2c1cccc2)N=O,0.828969159244872
+COc1nc2c(CBr)cccc2nc1OC,0.5124313474895964
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8772893494555147
+OC(=O)c1ccc(c2c1snn2)O,0.31395067867629556
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.09773742122261941
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9821540859932615
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.6137305539673306
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.15199268514107836
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.14967767476460397
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.021804874094528408
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.08226779033472972
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9741992904385697
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.7728005776442429
+[O-][N+](=O)NC(=N)NC,0.5403569031922872
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.8260923610803725
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.7527851416276083
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.6938045792046224
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.6064224340928026
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.1988330750375125
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.22631426359343457
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.35699047350376434
+CSSC,0.24889608821970172
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8259309016835917
+OC(=O)/C=C/c1ccc(cc1)Cl,0.09419571582139563
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.979593804505233
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.0910111605755621
+COC(=O)C1=CCCN(C1)C,0.16179436392097432
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.08912012661201392
+CCC(=O)Nc1snc2c1cccc2,0.34589009461209225
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.2296820600701422
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9764977502707436
+O=NN1CCC=CC1,0.8237979407545344
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.806110137688067
+BrCC(=O)c1ccccc1,0.4185165600891594
+OCC(=O)N(c1ccc(cc1)Cl)O,0.39019269699413883
+CC(=O)NNc1ccccc1,0.5102798493028247
+OCc1ccc(cc1)F,0.23626747801459216
+CC[C@H](N)C,0.20442447347323053
+CC(C=O)CC,0.3628723887697559
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.8865751977000697
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.15854417017730302
+C/N=N/O,0.7054247858797517
+Nc1c(C)cccc1O,0.49239921820387555
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.8910961360421783
+OC(=O)CC[C@@H](C(=O)O)N,0.16445241153016651
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9079197186859278
+C=Cc1ccccc1C=C,0.10094627906182357
+O=C1CCCC=C1,0.2794608430380369
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.8522733795942837
+C=CC(=O)OCCOC(=O)C=C,0.14260698824616708
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.7146437736853235
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.20929106991167878
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.1925247746297449
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.37520747835739066
+O/N=C/C(=O)Nc1ccccc1,0.5271960438326819
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.7006030075759786
+Clc1ccc(c(c1)C)N,0.7174167695982014
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7706961576568637
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.6781617423890095
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.12537210079545552
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.2544775052006764
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.24733623103480137
+OCc1ccccc1[N+](=O)[O-],0.7043641574410359
+CN1CCOCC1,0.3028581068617923
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.6741836609671671
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.20925579715581166
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.34979954032412774
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8480642152518733
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.7444134383042749
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.5741627349444653
+c1ccc2c(c1)cnnc2,0.4193510720473287
+Nc1ccc2c(c1)oc(=O)cc2C,0.5907752583573062
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9350377894215945
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7483776714443802
+CCSCCOP(=S)(OC)OC,0.22446699152981803
+N#CC(N=NC(C#N)(C)C)(C)C,0.5
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5118375217162343
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.41803408275234144
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9782640214023535
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.8765410214436754
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.3784076330787538
+CCOC(=O)C(=C)C,0.18886487137485294
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.1674787827066707
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.7600430548524502
+Fc1cccnc1,0.18257615257089488
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.07687055352539222
+C[C@@H]1CNC[C@H](O1)C,0.19914444318077995
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.986174181953476
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.3379157707565704
+O/N=C/C1N(CCN(C)C)C=CN1C,0.7918367165205598
+C=Cc1ccccc1Cl,0.17293461211053357
+CC(c1ccccc1)N(C)C,0.1951558914207851
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.10345083481237166
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.20040070242946695
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.13231476242979584
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.5160300741613773
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.7730709260746981
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.16441878986372374
+OS(=O)(=O)ONNCCc1ccccc1,0.1107126026432772
+Cc1ccc2c(c1C)c1ccccc1cc2,0.8863401648643664
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.12686776442812706
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.8949921798927272
+COP(=O)(OC)C,0.19755002246322034
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.1516695460370442
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8968063510438495
+[O-][N+](=O)c1ccccc1N,0.8269770565275162
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.7366457048401649
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.1774180282017802
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9038551210037947
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.3840104619946113
+CCCCN(/C(=N/O)/C=O)N=O,0.8744460251690555
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.07520516719152938
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.933936272779104
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.245934603846242
+Nc1[nH]nc(n1)N,0.15394631330538275
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.7591429026176657
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.23494689981741498
+CC(=O)OCN=[N+](C)[O-],0.8902980987769795
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.2125961848733657
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.23173645679119972
+CCCC(=O)Nc1snc2c1cccc2,0.28382071138430964
+OCOC(C)(C)C,0.07435228881687485
+BrCCCCCCCC(=O)O,0.23080256050363976
+Nc1cccc2c1nc1CCCCc1c2,0.8754504808915604
+Nc1cccc(c1)C(F)(F)F,0.3800139234727164
+ClCC(CCl)(CCl)CCl,0.4528547239851918
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5247025010850599
+COc1ccc(cc1)CC[C@@H]1OC1,0.7864040734604477
+N#N=NCc1ccccc1,0.9156978688914315
+C[N+](Cc1ccccc1)(C)C,0.08701566779235609
+ClCCP(=O)(O)O,0.5
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.5608919151501742
+Nc1ccc(c(c1)Cl)C.Cl,0.6825336858762917
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.8815344122545798
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8878554049987945
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.3166292058927418
+COc1cccc2c1C1(C)OOC1(O2)C,0.21966187365763934
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.05071688215276496
+CCO[P@@](=O)(N(C)C)C#N,0.25644358315395704
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.3564035138582777
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.24921947359487917
+COC(=O)C(Cl)C,0.666514796373835
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.8480658750557389
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9302984243009885
+ClCc1ccccc1CCl,0.3706050932213256
+O=NN(C(=O)N)C,0.7004497791727619
+Cn1ccnc1S,0.1127487530335789
+O=C1CCCCCO1,0.296091629448368
+OCCBr,0.8448676938294997
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9699576456949047
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.19656280639047657
+C([C@@H]1OC1)C[C@@H]1OC1,0.650335632875556
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.11294333125480946
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.8993098006843493
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.12998773503839522
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9244203327936205
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.5813829866987277
+O=CC=C(Cl)Cl,0.7156816433791643
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9665370515514596
+CNC(=O)ONC(=O)NC,0.43158369040823935
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.14277701475773877
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.4873108291267613
+Fc1ccc2c(c1)sc(n2)O,0.3427584971605684
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.76083065051093
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.9100094891814526
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9508778294227299
+CCCCC(=C)C=O,0.17038275014412954
+FC(C(C(F)(F)F)F)F,0.28587147313534395
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8771758300420023
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.36278470961069637
+Nc1nc(N)nc(n1)Cl,0.21028206488684167
+CCCCC(CCCC)(CCC)S,0.020520782826888618
+O=C1COC(=C1O)C,0.401224863243106
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8567524610883217
+CC[P@](=S)(Sc1ccccc1)OCC,0.15119122613791686
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.5173412695118043
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.03653382743756722
+COc1cccc(c1)[N+](=O)[O-],0.8132985892326112
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.6408189651068039
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.06811376332919927
+ONc1ccc(cc1)c1ccccc1,0.7290941932702336
+CC(C1CCC2(CC1)OC2)(C)C,0.19399988905476467
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.8445828912916172
+[O-][N+](=O)c1cncn1C,0.8199724844954751
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.30324791583090976
+C/C(=C\C)/C#N,0.28046848337462443
+CC(O)(C)C,0.09272810739979989
+CCc1ccnc2c1cccc2,0.513044808561279
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.13613979131878545
+CCC(OC)(C)C,0.1254154324095788
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.06661624439206558
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9771550778768376
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.29377565131901107
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.8793249149512671
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9092182076460823
+COc1cc(N)c(cc1N)OC,0.5710298762445591
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.1719896363943507
+Oc1ccccc1c1ccccc1,0.24918028661138664
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.10619300951648254
+COC(=O)C1OC1c1ccccc1,0.4822086732794191
+BrCC(=C)Br,0.7620160567183114
+CC(=O)n1cncc1,0.2653005442382709
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.6089615502794843
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8782666844396065
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.5832986079890514
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.8349996806909419
+[O-][N+](=O)c1cccc2c1cccc2C,0.9364084607305438
+C=CC(=O)NCCC[N+](C)(C)C,0.12550025526732916
+CCOc1ccc(cc1)N(C(=O)C)O,0.3943098407026456
+CCOc1ccc(cc1)NO,0.6413018621014216
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6594319793374086
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.9436077010754607
+Oc1ccc2c(c1)nc([nH]2)N,0.2084295980776626
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.7415427449206751
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.5885664885689462
+COCCOCCO,0.24662468373401117
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.866182655301417
+[O-][N+](=O)[CH-]CCCC,0.837051316265944
+NCCO,0.5
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.1415827358741068
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.10491204014824043
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.03863437144030937
+Nc1ccc(c(c1)N)Cl,0.5693593145869964
+CC=C,0.1268346393184403
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.4520487977679697
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.22791558775741746
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.09446823245681452
+CCCOC(=O)C(=C)C,0.2157264570636277
+CCCCCCCCCCCC(=O)C,0.07262164806917323
+O=CCC=O,0.5071075875736935
+O=Cc1cccc(c1)c1ccccc1,0.5231389998146712
+CCC(=O)O.[Na+],0.11903921914747058
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7954436394663927
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.1516074676099992
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.5087622266740989
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.853674673740568
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.040087551870538585
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.9182247820934664
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.27210341565895174
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.2710956514106034
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.9399150869642587
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7021430278573455
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.900935153503039
+CN1CCN(CC1)C,0.09997365011541233
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.6479589956556541
+COc1c2ccc(=O)oc2cc2c1cco2,0.7711181561082623
+Nc1nccs1,0.4740155474827361
+COc1cc(O)nc(n1)NC(=O)N,0.16368422781880712
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.09879275299829082
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.9533879487310501
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.07878491882319963
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.8936921759272815
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.11987597715246717
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.42002510010381594
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8812678916009173
+NCCc1c[nH]c2c1cc(O)cc2,0.5334720573130205
+CC(=O)c1ccccc1,0.1844124523081575
+CC(=C)C(Cl)C,0.2871429913747315
+Cc1ccc(o1)C=O,0.2802750913879825
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.7907051631110708
+BrCC(CBr)Cl,0.8067177900150863
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9038630709964687
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.3767586987532173
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9293823330478265
+c1ccc2c(c1)snc2,0.41851820049649774
+CCOS(=O)(=O)c1ccccc1,0.2074725489720852
+OOC(c1ccccc1)(C)C,0.36700968294796515
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.1432113328265216
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.2905234629309403
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.14201923506846342
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7660545492147816
+Clc1ccc2c(c1)nc(n2C)N,0.6443941228598955
+ClC(C(=O)O)Cl,0.803425573160439
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.5467595723553751
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7506499184008457
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.3080688123380217
+CNCCO,0.2345776780278342
+O=NN(c1cccnc1)C,0.6968954999312156
+ClCCN[P@]1(=O)OCCCN1CCCl,0.6294959249940572
+CCCC[C@H](COS(=O)(=O)O)CC,0.15507030037145397
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.21969297866755258
+OCCI,0.7453860283990091
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9324507659122054
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.33379242131083037
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9489678007930815
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.06086360617340178
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.7571456944355883
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.3518292844308798
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.22582957025863887
+O=Nc1ccc2c(c1)cccc2,0.9410336005729384
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.20235750249525472
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.14056739762421996
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.8255249792446425
+Nc1cnc2c(c1)cccc2,0.8089868198910714
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.045872027390783415
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.1459904471541874
+COc1ccccc1N.Cl,0.690636769476541
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.170653595932459
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.6865366177474357
+COc1nsc2c1cccc2N,0.8678380870189627
+[O-][N+](=O)c1ccc(c(c1)O)N,0.93357110733604
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.12876789084983156
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.1341539205910158
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.4852682584001343
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.3215800859582445
+O(CC1OC1)CCOCC1OC1,0.6656517845852384
+BrCCOC(=O)C(=O)OCCBr,0.46253372439561974
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.5639280311979187
+ONc1[nH]cnc2-c1ncn2,0.34735045270574605
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.7201701745265757
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9767415106626963
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.8408460299021222
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.8446432108759971
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.48003330636173613
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.15627963014088683
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.8504928695052585
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.8840375561500468
+OC(=O)CCCC(=O)O,0.11279133245480738
+C=CCN(CC=C)N=O,0.7415183302477735
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.16430647403642984
+O=C=NC1CCCCC1,0.6696766808322371
+Oc1[nH]nc2c1cccc2,0.12542982530144242
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.5
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.9507195035924528
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.1018555525676177
+C[n+]1cccc(c1)C(=O)O,0.058146048534241906
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9189365929583407
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.8846382829338949
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.587622771168312
+OC(=O)C(Br)(Br)Br,0.5447055451041352
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.11100203993918377
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.9026156255434581
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.700974217922883
+O1CCN(CC1)SSN1CCOCC1,0.2983187408595233
+ClCc1cccnc1,0.40995571892593574
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.893866915834533
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.9008275889554018
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.13235877212988584
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7761073899630504
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.30075745197153697
+Oc1c2ccccc2nc2c1cco2,0.5
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.8486068826210521
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.35812840744693014
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.10577528603943473
+CCNC(=N)N([N+](=O)[O-])N=O,0.810182474937994
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8626901480447614
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.1946666229143166
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7529087752102949
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.4486658198813941
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.29328719796711067
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8494521372369523
+CCOC(=O)c1ccccc1C(=O)OCC,0.12417382725635437
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.6985107452937884
+Nc1cccc2c1nc1c(N)cccc1n2,0.8970381919915077
+Clc1ncccc1Cl,0.25846032152642373
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.07764546097752527
+OC(=O)CCC(=O)O.[Na+].[Na+],0.08669340522838684
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7990005788398968
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.1374170000070284
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.924264946595121
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.198025539572658
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9470761386257123
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.3430021140534142
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.06250827607872053
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8814313952290243
+CCn1c2ccc(cc2c2c1cccc2)N,0.9306576585620758
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.083242786104846
+Clc1ccc(c(c1)Cc1ccccc1)O,0.2832308250179289
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.5893401942132017
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.39148742970532946
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.3848422071429296
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.16442189047555808
+C=CCc1ccc2c(c1)OCO2,0.2652588866489427
+CSCNc1ccccc1C(=O)C,0.3341663265482106
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8025715190299986
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.881143928657272
+N#Cc1ccccc1,0.18889512315227744
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.8577867041442496
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.40858704268112106
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.6528190926941746
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.11764723201217453
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9014432485016102
+CC(=O)[C@H](O)C,0.2525065375317492
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.8636831332464556
+CCCCCCCCCCCCCCCC(=O)O,0.036492615098630686
+OCC#C,0.214243095054113
+Nc1ccnc2c1cccc2,0.6222929353330745
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.7952258752129686
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8263399490107957
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.4544738263646986
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.08108139585897244
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.5893401942132017
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.8747531520341226
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.33300548622556303
+CCCCCC[N+](=O)[O-],0.7268872992563471
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.18270409417573893
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.41542655288561803
+Cc1c(NC)ccc2c1nccn2,0.7468965542431428
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.3743933953820168
+Nc1cccc2c1cc1ccccc1c2,0.9542232210052622
+CNCCS(=O)(=O)O,0.19969494691161638
+O=NN(CCCC(=O)c1cccnc1)C,0.5419975681578248
+NCC(=O)O,0.2584737429795575
+OCCn1c(CO)ncc1[N+](=O)[O-],0.5498521782373174
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9318886609222259
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.19649983670914625
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9066595054038665
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8446919435545847
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.48769729381709204
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.34925366617154224
+ClCc1ccc(cc1)OC(=O)C,0.19792502141434123
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.8618764612848123
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.6207958168584016
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.34064141193886777
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.08803230216522898
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8907874787511348
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.636317104424434
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8705512254491988
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.07517964903661693
+CC(=CC1C(C1(C)C)C(=O)O)C,0.08571385854796808
+Br[C@H](CBr)COC(=O)C=C,0.45628200588162265
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.17822405961274138
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8712532185642077
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.8482325561419761
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.8247418035858888
+NC(=N)S(=O)O,0.2909359678359049
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.820826518044614
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9394108531031149
+COc1nncc2c1cccn2,0.7512394433236321
+Clc1nncc2c1cccn2,0.6204282249630206
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8811021583047207
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.6470963250076968
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.8721747038748643
+CCCCCCCCC=C,0.04998212623828388
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.10292876993906613
+CC/N=[N+](/CC)\[O-],0.8668828235730723
+c1ccc2c(c1)nccc2,0.5398678118479238
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5751096144366363
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7911320855563438
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.2831692702667267
+CC(CC1NC(=O)CNC1=O)C,0.13331288713438746
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.8708311320183968
+ClC(c1ccccc1)Cl,0.5825285320546595
+O=c1ccc2c(o1)cc1c(c2)cco1,0.6257590198924722
+O=CC(=C(Cl)Cl)Cl,0.7218911818055196
+CNS(=O)(=O)c1ccc(cc1)N,0.329338769938004
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.11690350633940315
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.5326992652985045
+OCCCCCCCCCCCCCCCCCC(=O)O,0.06301190450345527
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.4898928756727446
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.167980501319022
+CC(=C)OC(=O)C,0.1613589170231218
+c1ccc2c(c1)ccc1c2cccn1,0.8771826104746806
+C/C=C\C=C/C=O,0.42260561377783085
+ClCC(=O)Nc1snc2c1cccc2,0.6569111708008666
+ONc1ccc(cc1)C,0.45739488484093016
+CN(C)C,0.19538363299934244
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.38322683779820105
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9345889063397097
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.25959224888904947
+O1CCOCCOCCOCCOCC1,0.23631598979593654
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.8162491759588768
+OC1CCCCC1,0.0739281885941371
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.5832986079890514
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.14065584182439633
+OCC=O,0.6768762075984456
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.1415827358741068
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.609280348747625
+O=CN(C)C,0.5787365871590124
+O1C[C@@H]1COc1ccccc1,0.7932619692218629
+Cc1ccc2c(c1)nc(n2C)N,0.7407035446291873
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.23776086811751448
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.7470133375799536
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.812061817163704
+O=c1ccc2c(o1)cccc2,0.20248972355694042
+N#Cc1ccc2c(c1)nc(n2C)N,0.823655146310379
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.883279702455384
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.2873576073490036
+CCOCOCC,0.16591283538441204
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.16220604653084625
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.08360532422014212
+Cc1ccc(cc1C)S(=O)(=O)O,0.08168573917230322
+C/C=C/c1ccc(c(c1)OC)O,0.3523052364712094
+CC(=O)Nc1ccccc1,0.10860634994284402
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.8866545462415651
+CCOC(=O)CNC(=O)C(Br)C,0.4793919003280856
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.8700282331605004
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.7314667738462722
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.1359650609231584
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.5412796450337996
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.3406369753416943
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.9486880876834731
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.5238153733812674
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9111792839270986
+O=NN(C(=O)N)CCCC(=O)O,0.5931816816401023
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.39614356461089584
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.32803328998481035
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.6422969607605626
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.7817242684059473
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.5897402001143274
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.34064141193886777
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.16049236039807996
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9377528326449882
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.20040691748182415
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9780417357961466
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9642095009857214
+ClCCNc1ccc(cc1)C,0.5607693434426639
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.8812678916009173
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.8913554323189632
+COc1ccccc1CC1CO1,0.7225019788981623
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.7230588999790376
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.3505851812552212
+Oc1cccc(c1)Nc1ccccc1,0.2479549865603165
+N#CC1=Cc2c3c1cccc3ccc2,0.7416895635403823
+BrCCC(CCBr)(CO)CO,0.5496281806848553
+[O-][N+](=O)c1ccc(c(c1)C)N,0.9316412086845327
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.6938490446949387
+O=Cc1ccc(o1)[N+](=O)[O-],0.8625465917711604
+Clc1ccc2c(c1)cccc2,0.41001378336288163
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.23426924996072912
+C=C1CC(=O)O1,0.19458806849348373
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.5131546242734205
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6790245295924444
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.28200359904536537
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.17412011294156157
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.7201999845745812
+[O-][N+](=O)[C@@H](CC)C,0.8003501374521041
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.7929254520803679
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.07055994746986322
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.8680897982421688
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.47442510126635506
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.13673237897434226
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.9525076672602125
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8637659462890034
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.2391733041790312
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.030493699021851468
+Cc1cc(C)c(c(c1N)C)N,0.5754351108935998
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8606050293252686
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.10741208662602568
+CCCBr,0.6317603423924594
+CNC(=O)N(c1ccccc1)c1ccccc1,0.19287860668729997
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9720298556658363
+O=CN(c1ccc(cc1)c1ccccc1)O,0.6550455770869292
+ClCCN(CCCl)CCCl,0.7134479948473662
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.6978392126034657
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.8722403802134997
+ON(c1ccccc1)C(=O)C,0.40185318226024563
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.6576410689869738
+CC(=O)CCOOCCC(=O)C,0.45568064827030624
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.2586286673074742
+C=CCc1ccc(c(c1)OC)O,0.17462479470123118
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9503253983687294
+CCCCN(C(=O)N)N=O,0.7564324802602646
+NC(=NC(=N)N)NCCc1ccccc1,0.32238057783350177
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8307799565494688
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.045968496435995626
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.16069742642348483
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.3886814898009119
+CCCCCCCCCCSCn1cc[n+](c1)C,0.3457639989771505
+CCCCCC/C=C\CCCCCCOC(=O)C,0.14963722208840968
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.9180171942384072
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.24296226489534192
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.6911110629364717
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.6664251558083372
+Cn1c2ccccc2c2c1cccc2,0.8635065988762872
+CCCCC=O,0.3572166520352167
+O=Nc1nccn1C,0.8304337249455691
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5057961089274313
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9744273286245467
+COc1cc(OC)nc(n1)N,0.14322089820579628
+Nc1[nH]ccc2-c1c1ccccc1n2,0.6548427720015557
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.6884804289282297
+CCCCCCCC1CCC(=O)O1,0.16448266417584237
+N#N=NCCC(C(=O)O)N,0.8345387894023149
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.9134827790408583
+O=C(c1ccccc1O)OCc1ccccc1,0.13701962536054668
+OCCCCN(N=O)C,0.8543192779538614
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.12335201709275248
+OCCc1ccc(cc1)N(C)C,0.19181620834040403
+OCc1ccc(o1)C=O,0.2195373266870821
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8689774391576858
+O=C(Nc1ccccc1)Nc1ccccc1,0.12101138383095902
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.8833778997731002
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.27729843234135293
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.16432723343704858
+CCC(C)(C)C,0.03162972614830794
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.03539789176273184
+CC/C=C/C=C/C=C/C=C/C=O,0.492741666696431
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9769300699299839
+C=CC(=O)NCNC(=O)C=C,0.20143286767901675
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.14590919796914387
+CC(CC(=O)Nc1snc2c1cccc2)C,0.20499299327167134
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.24134225604618795
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.7918326312149794
+COc1cccc2c1nc(s2)N,0.832510625898277
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8685418938904967
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.7531348505041447
+C=CN1CCCC1=O,0.38618085977079103
+c1ccc2c(c1)cnc1c2cccc1,0.8850054241059291
+Cc1ccccc1OC[C@H]1CO1,0.8168910493615208
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.9524208118478517
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6745619580438217
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8633302254342161
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8595613472342344
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.3471911653015016
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9367248031688002
+O=NN(COC(=O)C)C,0.8821525007298797
+ONc1cc(ccc1C)[N+](=O)[O-],0.8904286374170356
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.2430578293030199
+CCC(=O)O,0.11903921914747058
+Nc1nc2-c3cccnc3CCc2s1,0.8223066711442422
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.728557419298382
+Oc1cccc2c1cccn2,0.31464324419355727
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.6499059822223862
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.07420138468823106
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.47037575813412413
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.25364032124390506
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.8537423077296875
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.7758393529311698
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9108387246282078
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.6864336089783286
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8703523674484762
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.7494832019430204
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8584139052870966
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.5225767527537198
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.08996974408842666
+CCc1cnccn1,0.20379062060079836
+C1CC=C2C(C1)CCc1c2cccc1,0.4258367415523741
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.08332389550389445
+O=C=Nc1cccc2c1cccc2N=C=O,0.77659216223201
+O=C1CCCN1C,0.39110185697639277
+C1N2CN3CN1CN(C2)C3,0.27317729250149514
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.7683192160056086
+COc1nc(C)nc(n1)N,0.29013601143850976
+Nc1ccc(cc1)Oc1ccccc1,0.7999633442664436
+ClC([C@H]1OC1)(Cl)Cl,0.9139190966330584
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.9160482410623753
+NC(=O)CN1C[C@@H](CC1=O)O,0.21759257713322558
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.9037691749213147
+NC1=N[C@@H](CS1)C(=O)O,0.37299352542933034
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.34581115944387053
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.25864977539046813
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7766456880503504
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8439183959848434
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.5666886324510022
+OC(CN=N#N)CN=N#N,0.8245969778115989
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.7694016371741337
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.5114260874588298
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.9478145366994496
+OC(=O)C[C@H](C(=O)O)O,0.12220556673019184
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.29642463387628115
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.0644345735798396
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.23827642033261684
+C/C(=C\C)/CCl,0.3931308396175089
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.07172388510971915
+ClCCSCCCl,0.4933863957140675
+OC(=O)Cc1ccc(cc1)Cl,0.08051503441896411
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.7004327902470706
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.6442334418457669
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.1642357921819341
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5145811625382637
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.21811200598243352
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.2684670219460536
+NC1CCCCC1,0.14549287509993727
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.19344063750649584
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8937892907489915
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.7759684375794266
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.14069862860523763
+CC1(C)C2CC3C(C1C2)(C)O3,0.16685841731738002
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.5096274143298587
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.6047143240015808
+C[C@H](CBr)O,0.7681645223702168
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.7848425152809164
+O=NN(C(=O)C)C,0.8349725591376543
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.6928034966101386
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.7541613611135005
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.3720028004080297
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.1961252503025235
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.6451238300433707
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.10646178473940501
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.5367449022574976
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.7901989146994429
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.3190188114107906
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.7033390129843566
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.6195227811680933
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9271590522821869
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.2617309968910846
+ClCCNC(=O)N(CCCl)N=O,0.9717289452966409
+CC(=O)CCC(=O)C,0.11607599359264083
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.8335748247929698
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.7680602182320231
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.4260081076804163
+OCCN(CC)CC,0.1811551064046246
+Clc1ccc(c(c1)Cl)N,0.7025252550009159
+[O-][n+]1cccc2c1cccc2,0.80199623533285
+CCN/N=N/CC,0.7399812872754475
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.42723851668201196
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7774264979952425
+CCOC(=O)C,0.31969122357973634
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.27966795530307786
+OC(=O)[C@@H](CCl)Cl,0.6315476714406276
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9730970100899234
+CCC(=O)C(=O)C,0.3214529755132806
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.042508414025485046
+O=c1c2cccc3c2c2c1cccc2cc3,0.7628377780846566
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.8525982467790418
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.18559515926882783
+[O-][N+](=O)c1nccn1C,0.8726910435036205
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.1741169130561889
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.2948358142256128
+COc1cc(C=O)ccc1O,0.227084309449282
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8411393250066338
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.08070129053903045
+NCCc1c[nH]c2c1cccc2.Cl,0.7041613335508039
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.032350468609953255
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.3568660191754535
+Nc1cccc2c1snc2Cl,0.8004085630471869
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.3115809855543109
+Clc1ccc2c(c1)nc([nH]2)C,0.4695785739347557
+ClCCOC(=O)C=C,0.6597764220341491
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.900387523350632
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.8227287599529445
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.9423268064130573
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.825764292710689
+Nc1nc2c(n1C)ccc1c2cncc1,0.8898748573766345
+CCCCOCC=O,0.3088075712936692
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.3479597878264257
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.7817720509066027
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.21776979365382101
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.09242783083897418
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.02035703705632991
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.0342665356672999
+Clc1ccc(cc1)CNC1CCCC1,0.31744950518096343
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.7074135306095412
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.3540952748988473
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.05475326741534202
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9666131830532266
+CC(Cc1ccccc1)N,0.18058213127210396
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6992390474897998
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.09778614668280126
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.1110283183612308
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.5864353648569649
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.48780298436145514
+O=C1OC2=CCO[C@H](C2=C1)O,0.20519270852184354
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.14203935756342273
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.270496610951343
+OC[C@H]1CO1,0.7599623096970521
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.5340933846408099
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.41026014438034564
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.7465462145861637
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8917634041333968
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.3945358072152916
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9106534655944156
+OCc1ccc(cc1)OC,0.2970514007253902
+C=Cc1ccncc1,0.07788977953251318
+CCN(CCCC(=O)O)N=O,0.7967937521495182
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.7943283116806398
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.7967421755451779
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.22459961925622282
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.03372169818954054
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.08422920519795167
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.07168873685116939
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.5463692781068911
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.4883347096052783
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.7063575642245766
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.10274764987371789
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.5690389153977228
+OC(=O)c1cccc2c1OC(O2)(F)F,0.10671243025183191
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.1359525469392982
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.8741967090521021
+ONC(=O)c1ccccc1O,0.2676683250928949
+N[C@H](C(=O)O)CSCc1ccccc1,0.25085991017695797
+Nc1ccc2c(c1)nccc2,0.7143255363325255
+NN1C(=O)c2c(C1=O)cccc2,0.7349741728207684
+Oc1cccc2c1cccc2,0.4498051479417853
+COc1ccc(cc1)N.Cl,0.8441017021508279
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.26101562133324796
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.4095439232662742
+Cc1ncc2c(n1)CCC2,0.2854244023505438
+Fc1cccc2c1ccc1c2nccc1,0.8178843037891108
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.795947811336065
+NC1CC(C)(C)N(C(C1)(C)C)O,0.16885636658920336
+COP(=S)(SCC(=O)N(C=O)C)OC,0.29038476005580394
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7402538200191637
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9233565159098773
+CC(C1=CC(=O)C(=CC1=O)C)C,0.15916604408770482
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9637082095198977
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.35636213045968007
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9666131830532266
+Cc1cc(C)c(c(c1)C)C,0.14202553440167456
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.9026059239683109
+O=Cc1cccc(c1)[N+](=O)[O-],0.8836429319513424
+CCOC(=O)C(=O)C,0.31228557821682035
+CC1(CO1)C=C,0.536734132339976
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.7185179198092125
+CCCOc1ccc(cc1N)N,0.7518683424520155
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9400977392009884
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.05289842199847469
+CCOP(=S)(SCCl)OCC,0.2630509163328901
+Oc1ccc2c(c1)OCO2,0.2657150059876505
+ClCCCN(COC(=O)C)N=O,0.9261477198951045
+CC1=NNC(=O)N(C1)N,0.7703596964198164
+C[Si](N[Si](C)(C)C)(C)C,0.07142671803459026
+O[C@H]1C=CC=C[C@@H]1O,0.16020268508767205
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8912189577485199
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.16684841402164935
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9831326207664122
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.3506475030359995
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.31407991856589074
+O=C1C=CC(=O)C1(Cl)Cl,0.6631185356572975
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.966911729322551
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.8045201930898592
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.07944257460648532
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8769776877907768
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.9162599534211304
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.4927689102964408
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.32011516500909465
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.3888917282592847
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.948439870044573
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.7567451303247161
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.05786536951928713
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.3123254212945303
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.8699227540985709
+Oc1nc(O)nc(c1)C(=O)O,0.08523332116845475
+ONc1ccc2c(c1)cccc2,0.8686335620735515
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8999692972371726
+Clc1cccc(c1)C(F)(F)F,0.0963114719369154
+O=CN(N=O)C,0.9153058638182452
+Cc1ccccc1Br,0.09469946300503683
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.5865467037412856
+Nc1cccc2c1c(O)nnc2O,0.6492210785476296
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.8654890227323773
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.7533848596703733
+N[C@@H](C(=O)O)CS,0.2555710133543308
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.25990402087950504
+N[C@H](C(=O)O)CS/C=C/Cl,0.7798516705627733
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.925419198269381
+O=Cc1ccc(cc1)Cl,0.317697027013431
+CCO[Si](OCC)(OCC)C,0.07198690084787594
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.21127174446514854
+CC(O[P@@](=O)(F)C)C,0.1248758575383638
+COc1ccc(cc1N)N,0.8182725463644199
+NCCCN,0.26239498024206626
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.3971620070485848
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.07217163233345836
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.08646474523640421
+OC1=C(O)C(=O)C1=O,0.37692748112438
+N#N=Nc1nc2c([nH]1)cccc2,0.9297446053930687
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.25013558130615177
+NC(=O)C=C,0.38590563896258867
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9689335139363516
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8423373705789513
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.841281874749539
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9134641675025308
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9767780117559972
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.441289932819767
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.8271347520586084
+COC(=O)c1ccccc1,0.1653820033582467
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.6876349413049989
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.1602461114788529
+COC(=O)C=C,0.2486540189354913
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.7057032452979958
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.5641059634404252
+Nc1cccc(c1)Cl,0.24153958431600472
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.30028937672008765
+Nc1ccc(cc1)O,0.3121776126240173
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.566357097423805
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.5
+O=Cc1ccc2c(c1)OCO2,0.45229590006479886
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.22856656527863423
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.6013815104172512
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9660907822590613
+N#Cc1ccccc1C#N,0.18344986454583795
+C(C1OC1)Cc1ccccc1,0.8516139201692088
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.24968371445294285
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.31407991856589074
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.17388199792406933
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.4684475450229968
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.15064236688222601
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9178125078167841
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.7102618427466263
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7778079457669963
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.7008525850807492
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.44843472997357325
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.07781133607064801
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.3183012106716172
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.7647873505711311
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.8100419669934957
+Cc1nc(N)nc(n1)N,0.18208255339528454
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.16689718888431956
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.1413528814412468
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.3859490911132943
+COc1cc(N=Nc2ccccc2)ccc1N,0.9722123784267284
+NC1CCCC(C1)N,0.11450381308437203
+CNC(=O)Nc1ccc(cc1)Br,0.2979831486604236
+Nc1cccc2c1nc1ccccc1n2,0.9096517883281265
+CC(=O)OC[C@@H](CO)O,0.28670482770516426
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.6379778175036869
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.11645490843831369
+CCCCc1c(=O)nc([nH]c1C)NCC,0.11190063911980797
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.20166274762048828
+ONS(=O)(=O)c1cccc2c1nccc2,0.2862035966211052
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.14563118157759744
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.8997832322537658
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.5492720632522291
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9456853814909661
+OC(C1CO1)CO,0.5959371157102611
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.08798720727046667
+C[C@H](CN(C[C@H](O)C)N=O)O,0.6948546729095031
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.22166010890555532
+CCC([N+](=O)[O-])CC,0.6566941208857858
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.7411141313850139
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.23422482925263086
+[O-][N+](=O)NC,0.8354693176220626
+Cc1c(C)ccc(c1C)C,0.066246781320668
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.19142360131335243
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.41689265951015375
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.2434126668633368
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.0982340007320241
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9041504700101516
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.786510712587874
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9545738573178711
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.07557655992638287
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.858529971755462
+O=Cc1c2ccccc2cc2c1cccc2,0.7847597084144622
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.40397597851490596
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.14292423167315202
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.40228683842961005
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8750222561195633
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.16687244765258774
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.19379495248340817
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.07450818235525289
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.3582889586611514
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.5701525834512207
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.08372645733888495
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9076355420128396
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.8660270467608712
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.08178905006019652
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.63186135780495
+O=C(c1ccccc1)c1ccccc1,0.320811833510785
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.018725152212871826
+Cc1cccc2c1cc1ccccc1c2,0.9047346236109961
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.17335405555858943
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.8365816184421413
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.9006003064520287
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.16693662843248752
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.8196336133070743
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.8332338725463342
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.7476032830421503
+CC(=O)/C=C/c1ccccc1,0.2898320006936446
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.20558321539521054
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.219160477330638
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.8313518940900598
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.29063059720689866
+CC(C(O)C)O,0.13942591182960126
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7618117745296318
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.5532294937873986
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.878544026156275
+OCC(C(=O)O)N,0.29521355120777165
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.2407687925134385
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.7851391762596548
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.8906362698546145
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9697476943178659
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.4099555285670666
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.1943076314386253
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.6076290346670716
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.17748071205489574
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.12528184108222676
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.47263730389848724
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.13432200092135624
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.25401986771218976
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8849924056705637
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.3786788871177988
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.18657801012936814
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8466227617089799
+c1ccc2c(c1)Sc1c(O2)cccc1,0.6496601930244312
+CCCN(C(=O)SCC)CCC,0.30758554709895214
+CC(COC(=O)C=C)O,0.2827429842203912
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.35559674742463304
+CCOC(=O)CC(O)C,0.1408835550411418
+[O-][N+](=O)c1ccccc1C(=O)O,0.5373339583816367
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.19513561837732357
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.8813803151964652
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.48706614755027017
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.06674478346803875
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.7947899638342805
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.19002993425688777
+Nc1ccc(cc1)/N=N/c1ccccc1,0.9318238685609064
+CCCCCCCCSCN1C=CN(C1)C,0.4751142165644597
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.41514346085929793
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.3309734377253885
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.22934771132896548
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.11682821562003023
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.20619110811150182
+O=Nc1n(C)cnc1c1ccccc1,0.7545000865203442
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.7913089091690374
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.6282270170327939
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.08634146490362193
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.6600284752185712
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9591241810211146
+CC(S)C,0.1413577511335275
+Nc1ccc2c(c1)c1ccccc1cc2,0.9587152092169533
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.7476092176542911
+CCCCCCCCCCCCCC[C@@H]1OC1,0.40439091760415563
+NC(C(=O)O)C(C)C,0.23119929912991172
+OC(=O)c1ccc(cc1)Cl,0.1420028390417818
+Cc1ccc(c(c1)N)O,0.5228095266255971
+O=CCC(C)C,0.3408270484277806
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.3945116697864477
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.17466219279854842
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.20684484110249876
+CC(=O)/C=C\c1ccccc1,0.2898320006936446
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.5
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.1418817915547428
+N#CCc1cn(c2c1cccc2)N=O,0.9019344766139503
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.1040249668040023
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.611683940133266
+Nc1cc(nn1C)C1CC1,0.5522475758945643
+ClCCSCc1ccccc1,0.5
+OC(=O)/C=C\C(=O)O,0.14716191943692103
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.8265358197106544
+c1ccc2-c3ncsc3CCc2n1,0.6560763373732476
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9454266297680173
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8133526517555014
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9134475746338536
+CCCCc1cc(C)cc(c1O)CCCC,0.0898799525685953
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.6776483873010096
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9155497912404122
+OCCc1ccccc1[N+](=O)[O-],0.6664688717599032
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.3438345530581536
+ClCCN(P(=O)(O)N)CCCl,0.6620033134478791
+Clc1ccc(cc1)Br,0.13796694758281308
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9798744855559535
+NC(=O)NO,0.3312220681587423
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.0584130899541948
+NCCS(=O)(=O)O,0.19555597272469505
+O=Cc1cccc(c1Cl)Cl,0.3504925513391522
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8964244997670652
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.8742937342619611
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.8224792789876088
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.3961521132454231
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.16770189648555883
+O=c1oc2cccc3c2c2c1cccc2cc3,0.795167676354591
+O=C1C=CC(=O)c2c1c(O)ccc2,0.45214522179019995
+C=CCCC(C=O)CC,0.1639936441354459
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.3236335288485484
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.8951478822133536
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.7024493872187897
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9057427432495119
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.7901291130971647
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.2856722430871812
+[O-][n+]1ncc2c(c1)nccc2,0.8167261543612726
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.5990282060606352
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.4837469226710205
+CCCCCCCCCCCCCl,0.13658495112625674
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.7930729758553972
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8091010086387047
+OC(=O)c1ccccc1Cl,0.07312535365980487
+BrC(C1=C(Br)C(=O)OC1)Br,0.9260871552028261
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.7309387290135101
+Cc1c2ccccc2cc2c1cccc2,0.8444321631289498
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9188747231902661
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.6999411465609694
+CSCC(C(=O)O)N,0.19123025250950293
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.16389518377590429
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.5871864477254334
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.11078454659394218
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.893409370046766
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.3288201104372673
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8611006488986497
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.12289475378118722
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9002276709877336
+COc1ccc2c(c1)nc([nH]2)N,0.6924573488173343
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.46001563444272425
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5294360237415343
+OC(=O)/C=C/c1ccc(cc1)N,0.42303993251576844
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.8676027916287048
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.7876876505345634
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.4169906207072488
+COCCO,0.2054395966568226
+CC(=O)CC(O)(C)C,0.10283963608933175
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.9664058090027489
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.15008493816762244
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.12358151660010891
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.33619277194199304
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.14565889671870416
+CCN(c1ccc(cc1)[N+]#N)CC,0.7281777406316757
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.34231859765130207
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9460672871706288
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8971392952296591
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.1423844159892149
+c1coc(c1)c1nc2c([nH]1)cccc2,0.4114230179344917
+Cc1ccc(c(c1)O)C,0.1653164413594511
+O=CCCN(C(=O)OCC)N=O,0.7946219314074472
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.936811066404264
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.47809090092539286
+OOC1(C)c2ccccc2-c2c1cccc2,0.6953825928797661
+Cc1ccc(c(c1)O)C(C)C,0.15497567478084107
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.5220720660229928
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.25970708270249737
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9550986136423139
+CN(C=O)N,0.7969565330060329
+ClCC(=O)c1ccc(cc1Cl)Cl,0.3434996680583698
+O=S1CCOC(=C1C(=O)N)C,0.2152736881612188
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.7733732441355982
+BrCCSCC(C(=O)OC)NC(=O)C,0.6180973499893553
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.18021574019025874
+CNc1snc2c1cccc2,0.7152088435491134
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.4052203724371122
+Clc1cccc(c1)C(=O)Cl,0.24256444962410148
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.26705860847660345
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7063968024541546
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.25070042888700494
+OCNC(=O)NCO,0.13531224744231418
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7031344955050925
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.3494034938123617
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8662977392052558
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9499631249693798
+O=Cc1ccccc1,0.2317215967234937
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8314450085554808
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.14717338459826312
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.03577390350327293
+OC(C(Cl)(Cl)Cl)O,0.4812970313690928
+OC(=O)CCl,0.6903394393471872
+Cc1ccc(cc1)N(C(=O)C)O,0.5428302291930884
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.5
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.19546372101643975
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.12784091027517425
+OCCN(CCO)CCO,0.19164719557734922
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9745561078697907
+O=C/C=C/c1ccc(cc1)N(C)C,0.5
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.5095856231965846
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.11808512724722607
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.809799687098906
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.16868174740131628
+O=Cc1ccc(cc1)[N+](=O)[O-],0.86930939638417
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8706099514958857
+C/C=C\C=C,0.17716843441105679
+ClC(c1ccccc1)C(=O)Cl,0.36518224753086403
+C=CC(=O)OC(C)(C)C,0.16318424258509337
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.07707930185062915
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9529486257220312
+OCCNC(=O)N(CCCl)N=O,0.9365893250260864
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.963991978569843
+S=c1scc(s1)c1ccccc1,0.3986809323441101
+OC(=O)C(CC(=O)O)CC(=O)O,0.09312282270576039
+NNc1nncc2c1cncc2,0.8770316623998968
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.18220918298198685
+Nc1ccc(cc1)c1ccccc1,0.8522626212564974
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.9553854016704024
+Cc1ccc2c(-c3ccccc3C2C)c1,0.7063886792978785
+CC1(CO1)C1CO1,0.5750396506920125
+[O-][N+](=O)c1cccc(c1N)N,0.91915265012912
+O=Nc1ncn(c1c1ccccc1)C,0.7135450454351089
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5115446535487836
+Nc1ncnc2c1nc[nH]2,0.4816565642918309
+ClCC1=C(Cl)C(=O)OC1,0.8738482966184102
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.08750847855907513
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.15490528974462864
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9685692359683334
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9565500739894667
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.8303298513175119
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.1697065962558372
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.08677689404091761
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7762674330871661
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9371223474332411
+CCC=O,0.6439429036257575
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8514684083876845
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.0734504102391761
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.6767463117841914
+FC(c1ccccc1)(F)F,0.13537392945084514
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.8245286829843664
+O=NN1CCNC1=O,0.9156329130050406
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.252071066351627
+O=CC=C(C)C,0.3543054968210856
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.7457713513545422
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.1384204483286629
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8577133847413204
+CNC(=O)ON.Cl,0.5871540396783843
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.08853161578151132
+C=CCCC1CO1,0.7432325053972009
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.9202761083828173
+FC(C(C(Cl)(F)F)(F)F)Cl,0.3648588157459498
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.1968213680717833
+Oc1ccc2c(n1)cccc2,0.31948036112294403
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.9635515708871021
+Clc1c(Cl)ccc(c1Cl)Cl,0.16561279443357513
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.1080981048559638
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.03747152442926139
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9157558953837395
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.954353996712614
+ClCC(Cl)(Cl)Cl,0.35726855766867777
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.4275631833170985
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.24311029670623824
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.334228145783423
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.11612328256075571
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.09823515423161382
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.03944159783464802
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.12133352874949008
+COC=O,0.7470540685051047
+Cc1cc(nc(n1)N)C1CC1,0.4282112304793856
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.23866304638635094
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.08670944976264412
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.2582356529169465
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9431009741627727
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.43244033239542645
+Cc1nc2c(nc1C)ccc(c2C)N,0.8462500588435489
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9206174416871573
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8785882843260095
+COc1cc(=O)[nH]c(=O)[nH]1,0.15757078470806873
+CNc1nc(C)c(c(n1)O)C,0.06949286558401842
+Nc1nc(N)c2c(n1)nc[nH]2,0.5099969450256134
+Clc1c2ccccc2cc2c1cccc2,0.7253538356834499
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9138735040095854
+NNc1nnc(c2c1cccc2)NN,0.8681524515018302
+COc1cc(/N=N/c2ccccc2)ccc1N,0.9722123784267284
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.7709263110665909
+FC(C(F)(F)F)F,0.21547248444899594
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.6454279301144182
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.8797307073652719
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9726227879822665
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.3735108120979877
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.069181837759076
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.21592304461805162
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.1919254596878165
+ON=C1CCCCC1,0.42751568947079727
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.36921713473603096
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.1894725611063155
+ONc1cc2c([nH]1)cccc2,0.5234036920122107
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6477888799956396
+O1C[C@@H]1c1ccccc1,0.6415198756595494
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.40571919624738706
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.949769011266649
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.6545909859334259
+CNC(=O)c1ccccc1,0.0950432002789263
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9453549861297681
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.13404916949747758
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.16853693052271893
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9739978977418297
+O=NN(C(=O)N)CCC(=O)O,0.6481064189366004
+CC(CCOC(=O)C)C,0.17684451755095962
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.07522489066955819
+CCCSP(=O)(SCCC)OCC,0.1395828814333603
+OC1CC2C(C1(C)CC2)(C)C,0.031071595235428323
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.05152245001962446
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.677388143026695
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.10000349703528913
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5934280591112105
+O=C(C(C)C)Nc1snc2c1cccc2,0.40713176800419465
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.3985592716487121
+ONc1cc[n+](c2c1cccc2)[O-],0.8993520633442398
+COc1ccc2c(c1)oc(=O)cc2CBr,0.3427994488604458
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.25006838942769766
+COC(=O)C1=CCCN(C1)N=O,0.7079683723295112
+CCCCCON=O,0.8419660560824554
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.2979595462542793
+CCOc1ccccc1N,0.4578466053893399
+CCCCOC(=O)c1ccccc1N,0.23843005818464888
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.819080819596142
+CCOc1nc(NC)nc(n1)N,0.23524165334269942
+O=C1c2ccccc2C(=O)C1(O)O,0.11462288394134777
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.19451551556779847
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.8307584172496001
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8679106423236947
+ONc1ccc(c(c1)C)C,0.5112587208986287
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.4636386940688924
+C[C@@]1(CO1)[C@H]1CO1,0.5750396506920125
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.21170695756213098
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.1374109430838166
+C=CC(=O)OCC(C)(C)C,0.11681870060956182
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.6577860732391778
+CCCN(C(=O)N)N=O,0.7973512066147536
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9641256704224663
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.966142776970759
+COc1c2cccc(c2nc2c1cco2)O,0.8225642247558408
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9044252333229652
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.17466219279854842
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.8525143200489061
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.9191845226241929
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.33680880673211294
+O=NN1CCC[C@@H](C1)C,0.8510155133781027
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.12345461701178038
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.03983971083751402
+CCN(C(=O)c1cccc(c1)C)CC,0.2510193820573931
+CCC/C=C/C=O,0.46267041475389054
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9197524808638156
+Oc1nsc2c1cccc2,0.28930285432642106
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.983991531107157
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.8131426900934353
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.8662940806966758
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.8193440917055254
+N1CCc2c(C1)cccc2,0.28812460000145557
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.5640312438845805
+Fc1cc2ccccc2c2c1cccn2,0.7352995872511976
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.8515257224544251
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.06778340616125378
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.15420380938792058
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.8506886624400652
+Clc1ccc(c(c1)N)Cl,0.5568033543129001
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.09560869742567807
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9150805001958067
+O=C1C=CC(=N#N)C=C1,0.6548626258571588
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.952928221425467
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.1001818473845808
+O=C1CCCCCN1,0.27412989251221215
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.9131727576728584
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.18534669655325053
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.702242281605343
+NC(=O)N(c1ccccc1)c1ccccc1,0.27339988664108056
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.2696013169939712
+Fc1ccccc1c1ccccc1,0.3602226159631627
+C[C@H](C(=O)NCc1ccccc1)Br,0.4301169035187188
+Nc1ccc(cc1)/C=C/c1ccccc1,0.8370443941225894
+ClCC(CCl)O,0.8489682538390898
+COC(=O)CCCC(=O)OC,0.22542860843450707
+[O-][N+](=O)c1cccc2c1cccc2,0.9219190277865492
+COP(=O)(OC=C(Cl)Cl)OC,0.4073029646398322
+Nc1nnc(s1)S,0.5307246624541633
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.06965933511766308
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.23775925502111145
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.976713919894474
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.735893890478638
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.23243605796017563
+COc1cc(Cl)nnc1c1ccccc1,0.436732749362711
+O=NN1CCC[C@@H]1c1cccnc1,0.6280538689887367
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.4001021035271644
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.18143101785947718
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.9091640524677925
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.7185179198092125
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.895252294919228
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.6707375166370653
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.8832041643111688
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.8436405758324615
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.1968213680717833
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.7711908132903027
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.19569881411374365
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.9084524577411904
+OCC(=O)O,0.27807747961332246
+CC(N=C=NC(C)C)C,0.2912874718640714
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.44099875240804987
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.5081329585458647
+Nc1ccc(c(c1)Cl)C,0.6767204542683821
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.6714380416091953
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.8348627023560441
+CCc1cccc2c1nccc2,0.5259308232179641
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.1729117196996704
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.5336414246296938
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.06664211359103418
+CC(N(C(C)C)N)C,0.5378645965227236
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.7982753103351804
+CN(N=O)CC,0.8697936219695787
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.46942239415636294
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.6393482650376228
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.7451879562602408
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.11531516853645599
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.2828753727082457
+O=C1CCCO1,0.5675077175847196
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.037735484868300834
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.2886655646394548
+CC(=O)NC(C(=O)O)CSCCCl,0.42451996594066355
+C1CC[C@@]2(CO1)CO2,0.4449505640428757
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.5081329585458647
+C=CC(=O)OCCOCCOC(=O)C=C,0.26026541299673794
+Cc1ccc(cc1)C[C@@H]1OC1,0.559382285748821
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.5716649971869386
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.3053309587715168
+C/C(=N\O)/CC,0.5354416499574508
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.41318482739469
+Brc1ccc(cc1)c1ccccc1,0.2986807070293379
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.03010367235161935
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.16530332374569534
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9814519236018896
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.6485489121513838
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.20218705163694323
+CNC(=O)C1=NN=C([CH]1)Br,0.703186214925146
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.1153945947123855
+C[C@H](CNC[C@H](O)C)O,0.19342908911374557
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.5835216754549465
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.36969424377177124
+CCOC(=O)N(CCOC(=O)C)N=O,0.8449225941009821
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.4199793125956623
+[O-][n+]1ncc2c(c1)cccn2,0.8404260886563188
+C/C(=N/O)/CC,0.5354416499574508
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.5050993833207024
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9416233362687931
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.16053384241619406
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8795755644570471
+O=C1C=CC(=NC(=O)C)C=C1,0.5
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.39553285311414577
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.05292788157464895
+Cc1ccc2c(c1)ccc(=O)o2,0.42570506572610256
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6883622174627732
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.8189805701172134
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9257811979122311
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.12161193211930008
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.8712551754973252
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.8028114746037647
+OC(=O)c1cccc2c1snn2,0.3176533829935561
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.9036897005224522
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.25576375530981355
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9220120380025647
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.718603130687704
+CCOc1ccc(cc1N)NC(=O)C,0.3393756531498231
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5952615427370755
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.44652329704962207
+CCOc1ccc(cc1N)N,0.8378430488477687
+CC[S@@](=O)CCSP(=O)(OC)OC,0.4037297788356398
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3829752066168184
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.5719966337482603
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6961889152833473
+Cc1c2ccccc2c(c2c1cccc2)C,0.8140589566500421
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9613490063467687
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.883360929384221
+CC(c1ccc(cc1)NC(=O)N)C,0.272696507351306
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7222381173591685
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.14179876932149774
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9173959653924322
+FCC(F)(F)F,0.19698321446245443
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.2648174991650505
+Clc1cccc2c1c1ccccc1o2,0.5289370050434561
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9202433302905352
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.21058751168711815
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.29091859357348115
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.07191755932111075
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7964829067512719
+ClCC(=C)Br,0.7923208457470758
+CC(=O)Nc1ccc(cc1)C,0.14303845114336455
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.8860888874765414
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.9499757522571181
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.78868272790088
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.5330769989388598
+OCNC(=O)c1ccc(cc1)Cl,0.13026533665234652
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.143447373422948
+CC(=O)OCN(N=O)CCCl,0.960812959200028
+O=C1C(=O)c2c3c1cccc3ccc2,0.67392096421966
+ClCC(C(=C)Cl)Cl,0.44826451400470196
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5538867604935214
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.16277232320087137
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9709150468112905
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.0863234168190843
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.2193793512289581
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.5726730678392206
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.20970355100618013
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.32985682209057055
+OC1C(O)C=Cc2c1cccn2,0.1840472558283565
+O=NN(Cc1ccc(cc1)Cl)C,0.8148442570689011
+CC(C(CCl)Br)Br,0.5570608855543896
+Cc1nsc(c1)N.Cl,0.37973387200304043
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.25932690430695593
+FC(C(Cl)(F)F)(Cl)F,0.09567756966463109
+CCCC[N+](=O)[O-],0.6871496054877219
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9779593500145681
+CCCN(CCCC(=O)O)N=O,0.7589152864108247
+BrC(C(=O)O)Br,0.6496897176499012
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.07376765970394711
+Nc1c2CCCCc2nc2c1cccc2,0.7920352246174417
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.924069523805544
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.41980088392516046
+Clc1ccc(cn1)Cl,0.11306772785022785
+CCOCCOCCOCC,0.17592914977557164
+O=CC1=CC[C@H](CC1)C(=C)C,0.14369395986356337
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.11607786310093898
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.8764292869435992
+ONC(=O)c1ccc(c(c1)O)O,0.4629070671716818
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.5051862111785892
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.9485054399954348
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.12795552744909558
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.2561814495093818
+CCCCN(C[C@@H](CC)O)N=O,0.839203004528942
+OCC(=O)Nc1c(CC)cccc1CC,0.11591080343746273
+OC(=O)c1c(Cl)cccc1Cl,0.0957893754488057
+O=C/C=C(/CCC=C(C)C)\C,0.16759995091061733
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.061479171174951164
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.08242642528042055
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.16380457569119183
+ClC1=C(Cl)C(=O)OC1,0.7615021810707329
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.32307771406747304
+c1ccc(nc1)c1ccccn1,0.19954297573591057
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9141982741132799
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.09979771638423116
+O1CCOCCOCCOCCOCCOCC1,0.1730162138257237
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.4303729633456791
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.1974047402981456
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.7704982284833173
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.42974966979142787
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9430929945184596
+O=C1CC=C(O1)C,0.22462371748411525
+CCOC(C(=O)C(O)O)C,0.14710937095208307
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8286143631953433
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.8498654302786837
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.14584543299267713
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.4521440552033236
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.1564354160309969
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4785402814068889
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9833523497829579
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.29633373289103804
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9781615489157983
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.12684005628027298
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.822901704672175
+Cc1ccc2c(c1)cccc2,0.7320604766763341
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4285300540637426
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.12490364342724726
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9023495839172195
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.5530095930995071
+CCCCCCC(=O)O,0.0863688061987246
+CC(=C)C1CO1,0.6847640869513955
+O=C1C=Cc2c3c1cccc3ccc2,0.6957922366018431
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.19864182457599597
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.5
+NC(=S(=O)=O)N,0.48839963196345787
+CC(=O)Oc1ccccc1C(=O)O,0.1100761709900131
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.17388274038708576
+C=CCOC[C@H]1CO1,0.7918536419882642
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.15871157970282793
+CCCCCNCCCCC,0.23530659769282786
+CN([N+](=O)[O-])C,0.7057790229441002
+Cc1ccc2c(c1)cccc2C,0.6770807144726656
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.7477130712898248
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.7721962212490039
+c1ccc2c(n1)c1[nH]ccc1cc2,0.7182036788597427
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.6441088726475288
+O=Nc1c(O)ccc2c1cccc2,0.7140077130423562
+C[C@H]([C@H](O)C)O,0.14533325659601976
+O=Cc1cccc2c1nccc2,0.4255456529737451
+Cc1ccc(cc1)C(C)(C)C,0.08165716199629937
+ClC[C@H](O[C@@H](CCl)C)C,0.4476641782287186
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.18537739861521021
+C1CCCC1,0.10033203701660387
+CN(C(=S)SSC(=S)N(C)C)C,0.3669479287672758
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.7300461460512028
+OCCOCCO,0.15454325990472498
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.10558466323587339
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.6767899508484473
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.8528630320479085
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.7374394613424918
+C[N+]1(C)CCCCC1.[Cl-],0.015159266077600167
+O/N=C/c1ccccn1,0.30123307380223935
+O=CC1=CCCC2(C1(C=O)C2)C,0.46130345858987354
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.3388739205249822
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8377467431152041
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.3757254645176152
+OC(=O)C=C,0.14505071178493442
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.155843102475689
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.8670120639301615
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.07885617344261196
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.413493779636801
+[O-][N+](=O)c1ccnc2c1cccc2,0.8607539933537109
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.1513882351950585
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.6484283792403348
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.08013891469426875
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.32945466186982597
+ClCCOCCCl,0.683734584220956
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.30565666541911735
+O=NN(CC(=O)C)CC(=O)C,0.8009437396951896
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.054077467363583626
+OC(=O)c1cnccc1C(F)(F)F,0.031176446782059417
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.2640063495313715
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.8935451512830378
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.18267650818622783
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.6452852513948992
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.8243226612147994
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.5844709128703294
+Cc1ccc(cc1)C,0.08171032661544368
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.21802483645455228
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.7366029184912088
+CC(=O)Nc1cccc(c1)O,0.14916139692086328
+CC1(OC1)c1ccc(cc1)Br,0.47491338683729667
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9659707225726313
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.971640912395299
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.8708312979133207
+C=CCOC(=O)COCCC(C)C,0.2899792296162726
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.891703782636802
+Cn1c(N)nc2c1cc1ccncc1n2,0.8585401235919297
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.8936996460193686
+Cc1ccc(c(c1)O)O,0.26517936476571885
+CC(=O)Nc1cccc(c1)N,0.287511879557879
+O=NN(CC(=O)O)CC(=O)O,0.43060632716685404
+COC(=O)c1ccc(cc1)O,0.2242684917006926
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9350052915971637
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7197414231887511
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.19529918740979468
+Clc1ccc(c(n1)C(=O)O)Cl,0.06855430531793835
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5973009136830327
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9255504779217685
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.4592077033354284
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.92837049866431
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.6198036540908571
+Nc1cccc2-c3c(Cc12)cccc3,0.8746723685278499
+Clc1ccc2c(n1)cccc2,0.40020035536821036
+C[N+]1(C)CCOCC1,0.07538069300035816
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.783102517133059
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.10462340987600537
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.5465231423523383
+ClCC1=CC(=O)OC1,0.8178459969758517
+C[C@H]([C@@H](CBr)Br)Cl,0.5997905088519598
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.14757001216554985
+O=C1OCC1(C)C,0.24889843849982893
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.6069268746138453
+ClCC(=O)CCl,0.8619652486186715
+O=CN(c1ccccc1)O,0.5
+Clc1cc(Cl)c2c(c1O)nccc2,0.4855591695108671
+OC(=O)Cc1ccccc1Cl,0.07771090920329754
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.2933668703770697
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.12632244051450325
+Cc1cccs1,0.2392520759799217
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9764507031653762
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.349012800214217
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6496448080202019
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9604485201462528
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.45874062238850166
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.3360231398688163
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.2792673586657001
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.06007446829981083
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.2681391114610956
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.4491840428902937
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.12972124127791082
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8948864548565689
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.6126807787671833
+Nc1ccc(c(c1)C(=O)O)O,0.2537807630697923
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.7719493090328496
+CCc1ccc(nc1)C(F)(F)F,0.06476848019521837
+CN(NC(=O)CCC(=O)O)C,0.3517236680486835
+CN(C(=O)C#N)C,0.38830022552071486
+O=S1(=O)CCCCO1,0.2338352250967583
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.9139606035720406
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9538998729024739
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.1781680824638678
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.7657950617340478
+OCCCBr,0.769936245699539
+CCc1ccccc1O,0.14758000010333622
+Clc1cccc(c1O)Cl,0.13947662972911865
+Nc1ccc2c(c1)nc(c(n2)C)C,0.8254474668448278
+OC(=O)[C@@H]1CSCN1,0.24908765353117246
+CCC(=O)C,0.14200342974212005
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9403440748497786
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9694693362826676
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.8877793720526685
+CC(=O)Nc1ccc2c(n1)cccc2,0.3203509678337237
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.2149029017218661
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.0726769162947576
+S(Cc1ccccc1)SCc1ccccc1,0.42910965540945395
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.17832988182624818
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.36871882101777304
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9728538833694396
+CCN,0.21262801932248868
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.8812592480096443
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.6106401311947193
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.5661865936420097
+Nc1ccc(c(c1)N)O,0.47725210925238515
+O1C[C@@H]1Cc1ccccc1,0.5725088011000391
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.6858327933229419
+Cl/C=C/CSCC(C(=O)O)N,0.6493019354285007
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.5530777318557395
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.0298800046246345
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.24804468373267108
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.08010898873190656
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.10229208115721579
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.573176142091661
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9365394405427169
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.5388292028914727
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.44123678504752833
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.09552422277167136
+O=S1(=O)OCCCO1,0.42357205514527363
+Oc1cccc2c1nccc2,0.3928849569646
+Oc1cccc2c1OC(C2)(C)C,0.16947616420641148
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.37091913217829703
+ClCCBr,0.6615608286172585
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.3477890314636313
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.8358135364594614
+OC(=O)C(Cn1cncc1)N,0.13128815270953992
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.43944362236133216
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.42897113555972677
+COC12OOC2(C)Oc2c1cccc2,0.33602981410595334
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8811321118189116
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.35570570800985574
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.35927873580914127
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9647223869924221
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.5818680654471772
+Cc1nccc2c1[nH]c1c2cccc1,0.7418425420620296
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.25616006332590574
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.6342771410726088
+CCCCN(CCC(=O)C)N=O,0.7530394821842727
+OC(=O)c1ccc(c(c1)N)C,0.3947738128856423
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9151794777867733
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.31042608436520486
+CCNc1nc(N)nc(n1)Cl,0.14344452538154193
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.6338385942568731
+Clc1ccc2c(c1)oc1c2cccc1,0.5858468116846787
+COc1nsc2c1cc(OCC1CO1)cc2,0.8704379569163766
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9646557231928814
+ClCC(=O)OC(C)C,0.5373592178236173
+N#CCCC#N,0.14233913100120904
+ClCCC(=O)N(c1snc2c1cccc2)C,0.4176225129810111
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8263773846518792
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8970876276316313
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.20765842753449093
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.06067903092456895
+C1OC(=O)C=C1,0.5090334579850394
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.40590865038140755
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.5268350080433334
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5456712630896896
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.08151745972230515
+OCC(C(CO)O)O,0.1473574436153081
+CC(=O)c1ccc2c(c1)cccc2,0.8338016309754893
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9483103654442832
+Nn1nnc2-c(c1O)nc1c2cccc1,0.8818671662241805
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.8717623634882665
+O1C[C@@H]1[C@@H]1OC1,0.726258341398706
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9291265443856003
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.8634235239397673
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7000725841480121
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.09149185414759184
+Oc1cc(O)cc(c1)O,0.10325016040623711
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.26307794593521827
+OCC1CC1,0.4669720670874711
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.3597779339539478
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.6975652784618196
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.9498977769916682
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9010861347261023
+Brc1ccc(cc1)[N+](=O)[O-],0.7047853959657128
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.15467114735476345
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9410840798118927
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.6487692129335609
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.7578677070199733
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.06094352207840504
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.9050815050304841
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.8245515846770608
+C/C=C/c1cc(OC)c(cc1OC)OC,0.32804186168790733
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8760317468738721
+CCOc1ccc2c(c1)sc(n2)N,0.8652719069768086
+CN(N=Nc1ccc(cc1)Br)C,0.8510709220402758
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.25490035873959155
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.4795864492029655
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.36975043889535525
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9068384984327095
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.5887330926795455
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.09040094885331436
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.145972427274506
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9245810246285043
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.15461026912836418
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.9063073680949153
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7711707926732533
+CC(=O)Nc1ccc(cc1)N,0.4745263307890282
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.2654781789920309
+COP(=O)(NC(=O)C)SC,0.3544369256668213
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.22134085414355606
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.8942634270662507
+NN(Cc1ccccc1)Cc1ccccc1,0.635010860591162
+ClCC(CCl)Br,0.8079069143357455
+[O-][N+](=O)c1cccc2c1csn2,0.7901778101634354
+Cc1ncc(nc1)C,0.13682076729317977
+Oc1ccc2c(c1)cccc2O,0.43809502671369577
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6932446220627095
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.16918905255523461
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.7293617462944294
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.568560899330378
+ClC(=O)CCc1ccccc1,0.20893376909798803
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8690448096504855
+Oc1ccc(cc1)Cl,0.20445684697622052
+NCCCCC(C(=O)O)N,0.25524225676871387
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.6532546036324484
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.4871366576429602
+O1C=CC2C(C=C1)O2,0.45598096895705104
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.9114326813222992
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.8589081514147192
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.7481794872331858
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.24016157953617026
+c1ccc[nH]1,0.16025226735503964
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.7043239972004953
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8738401528147917
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.8923291734803258
+OC(=S)c1ccccc1,0.21014125208688167
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.41325009594432444
+OC[C@@H](CCl)Cl,0.7513921881108058
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.6361229995458638
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.16772221168129237
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.08850381491804458
+ClC/C=C/CCl,0.6991377887466366
+c1ccc2c(c1)[nH]cc2,0.28249040518742635
+N#N=Nc1nc2c(n1C)cccc2,0.9515722634565871
+C=CC(=O)OCCCCOC(=O)C=C,0.20272331366815716
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.16763750375692538
+Nc1ncnc2c1ncn2C,0.7202306110447307
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9534790973657918
+Brc1cc(Br)c(c(c1)Br)O,0.15583836748081029
+CSCCl,0.7429350624992349
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.0619737036447734
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.07247040380239471
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.1717369058187931
+O[C@@H]1OC(=O)C(=C1C)Cl,0.39806751215921765
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8560584931094243
+CCCCCCC[C@@H]1CCC(=O)O1,0.15573054203204503
+CC1CCN(CC1)N=O,0.7333654566999163
+O=Nc1[nH]cnc1c1ccccc1,0.6056385961925788
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.38631194971890487
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9654362497228672
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.06540559740171262
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.046089470511882114
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.8724997934091195
+Oc1ncc(c(n1)O)F,0.10799570612032597
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.8252014573755158
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6998919132078711
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.7599986431189452
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.4912957505434358
+OC1C=CC2C(C1O)O2,0.5248777532750323
+Cl/C=C(/C(Cl)Cl)\Cl,0.8761150835841142
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.7559559205450712
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.09059018085320161
+COC1=CC=CC=CC1,0.2815001376881326
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.6724568517752225
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.49492313462656135
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.46482153124069414
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.2262363338586853
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9532378497179531
+CCOc1ccccc1C(=O)N,0.20157287903325147
+Cc1cccc(c1)C,0.1197536251740522
+CC1(CO1)C(=O)N,0.6242827496959109
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.8517112162110568
+OC(=O)C(CC(=O)c1ccccc1N)N,0.3816853593248267
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.05274509583634232
+CCCCOB(OCCCC)OCCCC,0.11023364873577918
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7916357457638823
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.05565163590245212
+Nn1c2ccncc2c2c1cccc2,0.9507690187940641
+CCCSC(=O)Cl,0.3596984974934497
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8562550877889107
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.19595397288159075
+Nc1ccc(cc1)Cl.Cl,0.636705972507172
+Clc1cc(N)c(c(c1)Cl)O,0.6836733878929531
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9616241513467958
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.6981074179012139
+O=C1c2ccccc2-c2c1cccc2,0.5735414464706718
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7428353561037794
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.2944295064781062
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.1319349338879996
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.3426626953333069
+OCCOCCOCCO,0.2814488100724272
+Cn1c(N)nc2c1cc1ccccc1c2,0.9502740200429987
+Cc1ccc(cc1)[N+](=O)[O-],0.8229581773438769
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6718698104904782
+CC[C@H]([N+](=O)[O-])CO,0.5705335722974422
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.10821440311098107
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.2025894086147097
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.8829163325078523
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8993359163068793
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8408709826555107
+C/C=C/c1ccc(cc1)OC,0.5164825288255098
+NCCNCCNCCNCCN,0.5333333891318142
+[O-][n+]1cccc2c1C1OC1C=C2,0.7276462101924892
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8899112822716512
+Nc1ccc(cc1)Cl,0.636705972507172
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.8215175818623999
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.4790769806428664
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.94132180755707
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.09265866047792924
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.8382571445385714
+O=Cc1ccccc1[N+](=O)[O-],0.799894499046774
+Cc1ccc2c(c1)nc([nH]2)N,0.538670263805878
+NC(=O)C1CO1,0.7822650155638471
+Cc1ccncc1,0.10063738301204961
+COCCCN,0.3466517770150489
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.3738598673109241
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.8657333683626518
+C=COC(=O)C=C,0.26815808703557154
+COc1c2ccc(cc2nc2c1cco2)O,0.8369830901684916
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.42825993755542385
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.19126151398437014
+OCc1ccc(cc1)Cl,0.25024863474746145
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.22896134810089233
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9665317736953508
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.19697737047273048
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.10412732221347924
+O=C(C(Br)(C)C)NCc1ccccc1,0.09817604495213168
+O=NN(C(=O)c1ccccc1)C,0.7951564523645441
+Oc1cccc(c1)[N+](=O)[O-],0.6678384041353261
+c1ccc2c(c1)cc1c(c2)cccc1,0.8021291346281098
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.8059639329758659
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.1476752844621764
+CCOC(=O)N(C)C,0.47944864882446425
+CC(=O)N(c1ccccc1C)O,0.43517046486150357
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.1356768702134076
+Nc1sc2c(n1)cc(c(c2)C)C,0.7844781731396852
+CCCCCCCCCCCCCO,0.09341999502113989
+CCN(c1ccc(cc1)N=O)CC,0.8030604268848948
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9185233457290778
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.96187750254698
+CCCCCc1cc(O)cc(c1)O,0.08255299134418785
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.738668893469215
+C1CCC2C(C1)c1ccccc1C1C2O1,0.8028422439127691
+Fc1cccc2c1ccc1c2cccn1,0.7821992281239267
+[O-][N+](=O)c1ccccc1C(=O)N,0.7833732621102063
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.8662418979638592
+Oc1ccc(cc1N)S(=O)(=O)O,0.2564469630629894
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.3397001398196385
+CC(COC(=O)C(=C)C#N)C,0.14906453690460097
+CSc1ccc(cc1)Cl,0.2402288630745159
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.17341913330104605
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.7078934062665446
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.8618034075660893
+Nc1ccc(cc1C)S(=O)(=O)O,0.1963087414518672
+Nc1[nH]cnc2-c1ncn2,0.35828613854962477
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.909346155087564
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.16643201652603076
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.21935744884429562
+CCCCCCCCC,0.10549119486773927
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.9119790294966832
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.3874047699920232
+O/N=C/C=N/O,0.601565252507209
+N#Cc1ccccc1C,0.28675121138394905
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.23702639786694268
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.6289334592473677
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.1154512168040713
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8738374113132725
+COc1ccc2c(c1)C1CCCCC1C=C2,0.7690647525467613
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.19697737047273048
+Oc1nc2c(C)cccc2nc1O,0.38745937716317413
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.35606909228844846
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.635146329663065
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.6798994239944257
+O=C(C(=O)O)C(=O)O,0.15467458797017086
+O1CCOCCOCCOCC1,0.14862071278456013
+NC(=O)CCCCC(=O)N,0.3356147900125303
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.2552653651546338
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.04050924400081161
+[O-][N+](=O)CCC(=O)O,0.6107220803436263
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7887217715445956
+CC(Cl)Cl,0.32080537890551475
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.39083185523985225
+CCCCCCN(C(=O)N)N=O,0.6969851017869173
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.41376177801526787
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.7946654823555716
+Cc1c(C)cccc1O,0.1736587600009937
+Nc1ccc(c(c1)Cl)Cl,0.7303339434233871
+OCCOC(=O)C=C,0.34682924589205416
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.6278670232847565
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8932735141787742
+Clc1ccncc1,0.08149687494500522
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.5
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.24481914992188206
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.17140300786256732
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.2078901256874653
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.15496283136799435
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.4733251165282661
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.8393980810760842
+CCCCO,0.10533925996709255
+C=Cc1ccc(cc1)C,0.15468215883193573
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.889041613756208
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.16762929337654695
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.8014799272508196
+COc1ccc(cc1C(C)(C)C)O,0.14210972714117828
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.16404793277996815
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.4316038051377197
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.41615826497973063
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.9123087977492816
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.8204531927222531
+OCCN(C(=O)Nc1ccccc1)C,0.2302579478947796
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9502885209352981
+NCCNC(=O)c1ccc(cn1)Cl,0.4035667996514413
+C=C[C@H]1CCC=CC1,0.03772246064666653
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8979210402202874
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.21777900738161882
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.8820009310366281
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.3720097590736192
+O=NN1CSCC1C(=O)O,0.7632861756743661
+CC(COS(=O)(=O)C)C,0.36950527238972447
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.8883065154558211
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.963072143740793
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.837140028360268
+CC(=O)Nc1cnc2c(c1)cccc2,0.4239229087475608
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.7308630061302721
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.04822191046805988
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.23131673659224727
+NC(=O)NCC=C,0.32811282260380603
+CCN1CCNC(=O)C1=O,0.2997060705235046
+OC(=O)CCc1c[nH]c2c1cccc2,0.1447210573597089
+O=NN(C(=O)N)CC(=O)O,0.6280264174707829
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.24220492342330208
+Nc1ccc2c(c1)c1ccccc1n2C,0.9792347674889881
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7317763016375234
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9267703449611748
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.23714558858228174
+Fc1ccc(c(c1)F)N,0.615213757989525
+Cc1ccc(cc1)Cc1ccccc1,0.2027377457140933
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.059790746455503314
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8952983488343713
+OCCCNP(=O)(N(CCCl)CCCl)O,0.6256769940427318
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.41891546028931476
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.6512777832165935
+Nc1cc(Cl)cc(c1)Cl,0.34545212125474445
+CCCCCCCCCCCCC=C,0.054188818161740995
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.07840114340569372
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.571096474498481
+Cc1cc2ccccc2c(c1)C,0.6686228760071511
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5
+O=c1n(CC2CO2)sc2c1cccc2,0.8057116050245908
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.06137753102009288
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.3642486086346385
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8003699644941924
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9219522073699956
+Cl/C=C(\SCc1ccccc1)/Cl,0.6106756780513993
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.6807917759520941
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.13575219969337549
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.5243340893632031
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.16567819171305107
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.8713932446022707
+CC(OC(=O)C)C,0.16331345375407477
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.8994268546493889
+CON,0.5082441584276172
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.16764649585123237
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9496077524538387
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.8562929501140141
+OCC(=O)CO,0.2983965280910384
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8135050633036855
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.16254408759875316
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.052679024995640006
+Cc1n[nH]c(=O)[nH]c1=O,0.3484992473865328
+CC(CCOS(=O)(=O)C)C,0.2796907435803129
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.3690020765256622
+[O-][N+](=O)c1ccc(c(c1)N)O,0.9088035318655213
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.0608850696272209
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.11181592726033687
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.6069268746138453
+BrCC1=C(Br)C(=O)OC1O,0.6181377329850055
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.4083826107600618
+Cc1cscc1,0.19543648586479545
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.141798024068022
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.8696777526829487
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.3715499231002596
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.42497301323081416
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.19528526216764594
+C=CCc1ccc(cc1)O,0.19410009346134982
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9001369926472946
+CCC/N=N/O.[K+],0.7739575703749808
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9109609212503196
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.14703033265049043
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.27724937274592515
+C=COCC(F)(F)F,0.1273573226141572
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.963778056404469
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.8653117898581997
+CCN1CCOCC1,0.16361033944715025
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.19622021801220152
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.09497217728861378
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.4086571522008207
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.5491359161539017
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.3696543725465514
+CCC12OC2O1,0.6262142742455821
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.7849806760341538
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9769795032150218
+CCC(Nc1snc2c1cccc2)C,0.49017531980822754
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.43905555266340135
+CC(OC(=O)C(=C)C)C,0.24902130409876377
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.10482185278365437
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.18126734594290195
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.8082473621687345
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.19549939925353205
+CC(OS(=O)(=O)C)C,0.2963802047948238
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.23915283731887993
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.8199452737979487
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.22699828752080914
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.06161249451251507
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.25655655242116426
+N#CC(C(C#N)(C)C)(C)C,0.07231387686927067
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.1677184959354412
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.8105596171314567
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.9001975759285442
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.5225483329858062
+CCCCN(CCCC)N,0.3905129335031764
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.3942192577636876
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.8528984900274552
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.16882668707854556
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8258322283971223
+O=c1ccc2c(o1)c1ccoc1cc2,0.5832208789925167
+O=C1C=CC(=O)C(=C1)C,0.30811321260459684
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.41890550332713533
+CC(=O)Nc1cccc2c1nccc2,0.4542046803672161
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.3990057407096093
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8608092230227857
+CC(CO)Cl,0.602794856275273
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.5287030011843711
+Clc1cc(Cl)c(cc1O)Cl,0.17496357542961657
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.64945987676123
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.14958658769769684
+OC(=O)C[N+](C)(C)C,0.07789923383430569
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9387046261570028
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.15129924572868333
+COc1nc(NC(=O)N)nc(c1)OC,0.1660032798438836
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.45376783092521034
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.23374065178415637
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.2291751176555472
+CCOP(=O)(OCC)OCC,0.11335080347104295
+C1CC[C@H]2[C@@H](C1)O2,0.41401719246314966
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.5
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.09409918964780263
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.8644508609132308
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.21518216763885817
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.7638682857336633
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9370107290580912
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9711054758432621
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.7639530937919646
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.97715084850938
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.21796465527495942
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.15019170171356616
+CC([N+](=O)[O-])C,0.7637310998986734
+C=CCc1ccc(c(c1)OC)OC,0.271319283695965
+C=CC(=C)C,0.10789318215443826
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.425588881376184
+CCO,0.18218823937604495
+CCCCN(COC(=O)C)N=O,0.8030211484570857
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8964157990646682
+CCCCCCCCO,0.1424241575391362
+COC(=O)c1oc(c(c1Cl)Cl)N,0.45322543522945186
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.6217554019654882
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8378858993226818
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8105340726158672
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.24913863214141457
+OCc1ccc(cc1)NNC(=O)C,0.2922637003972741
+ClCC[N+](CCCl)(C)[O-].Cl,0.5266611211662455
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.677675342832687
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6450951036747422
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8861359793120447
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.47220894918058137
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6963057136677421
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.16954854208990952
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.060554938023784005
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.16017446836136776
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.9629858824183827
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.05873259858436411
+ClC(c1ccccc1)(Cl)Cl,0.23583145497947713
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.8391044769507514
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.9485092421339371
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.4767450841651531
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.2971365695375892
+ONc1ncnc2c1nc[nH]2,0.3708166291117426
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.1783915073526518
+Clc1ccnc2c1cccc2,0.39879215152460284
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.949038381276618
+CCCCN(CCC)N=O,0.8491756862976083
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.6961102403856672
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9481232445050466
+C[C@H]1CO1,0.5951960497980888
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.2883521902629364
+OCC[N+](C)(C)C,0.07779263421794884
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.5744212509104163
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.924620091628603
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9365222080539947
+c1ccc2c(c1)nc1c(c2)cccc1,0.7543427304900041
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7039464733874942
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.7442655152166273
+BrCc1c2ccccc2cc2c1cccc2,0.8822850791525503
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.12970347254270115
+COC(=O)C,0.27325719597908027
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.5458591372719057
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.3994425054275165
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.17390333390910323
+c1ccc(cc1)Cn1cncc1,0.4906271306411976
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.597487930012113
+CC(C(=O)O)N,0.16818032614700082
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.06276538387862066
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.12401730484993159
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.14249248667359823
+c1ccc2c(c1)Oc1c(O2)cccc1,0.47482000276583447
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.5193068600284502
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.4784605626299589
+Fc1c[nH]c(=O)[nH]c1=O,0.14527313915651618
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.6942890792946506
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.19060641123615765
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.15040829643031975
+COc1cc(OC)c(cc1C1OC1C)OC,0.5659521128034548
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9632841603492831
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8283422220591417
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.6318457755864871
+c1ccco1,0.18887414421652896
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9736959045286031
+C/C=C\C=O,0.3759146184379088
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.08336732855536563
+N#Cc1c(Cl)cccc1Cl,0.180737975746794
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.09460661247793321
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.8618468682953503
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.03291299056154658
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.7946528056556734
+C[C@H]1CN1,0.42992965538028727
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.14300551532628616
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.8980742610255312
+NC(C(=O)OC(C)(C)C)CN=N#N,0.6578606898224478
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.08515093319444043
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9189327999777108
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9471248118414372
+OC(=O)CCN=N#N,0.7392608238048328
+C[C@@H]1O[C@@H]1C,0.4018265482369219
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.18687167371317293
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.6321962799898136
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.6453741707433516
+CC(CNCC(C)C)C,0.3090884646077489
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9255695380839493
+COC(=O)CCCCC(=O)OC,0.1434491437061053
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9588627627256556
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.3231857447510778
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.8855030099554722
+BrCc1ccc(cc1)[N+](=O)[O-],0.8776361841687006
+O=C1NS(=O)(=O)c2c1cccc2C,0.17054654540233535
+ClCC1=C(Cl)C(=O)OC1O,0.7229999061889084
+CCN(c1ccc(cc1)N)CC,0.6962326635748484
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.39476094679610235
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.24012441235388823
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.5590342573927587
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.5099016605323491
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.6927431932845327
+CC1(OC1)c1ccccc1,0.45665992582332404
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.15370521561047307
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.28892003593226584
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.8070283671987076
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8701220161352399
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.2553728248143711
+CNC(=O)Nc1ccccc1,0.16320192952134893
+COc1cc(cc(c1O)OC)C(=O)C,0.3553722765151207
+Oc1ccc2c(c1)nccc2,0.2984239954623349
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9265891542847038
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.056623559395485634
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.1854130100754939
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.4573213610549248
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.34365245759467106
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.16756087537412762
+BrC(=C)C=O,0.5467318791832066
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.566309309381086
+O=NN1CCC(=O)CC1,0.7431593534799743
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.13990458998775968
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.47289417382785465
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.09122724685546348
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.8942091441607793
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.9246341433953776
+C/C=C\c1cc(OC)c(cc1OC)OC,0.33948965684349647
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.6672812053497574
+CCNc1cccc(c1)O,0.18330394616924228
+N#CCc1ccc(cc1)Cl,0.21154216574465573
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.31114962430220966
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.6301003611630455
+CNN=NC,0.855854132459647
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.6257265938315002
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.1585197766785302
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.16773434815805835
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.07719148372557011
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.3705225096630838
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.04183201139564442
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4642230292428277
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.7849395594641874
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.30792664928426333
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.33317409349923593
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.81245870685952
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.8279284487922898
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.25140413128933314
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.805397003610225
+COCCOCCOC,0.18259392306349964
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.21947644512392583
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.08053947916809674
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.90958037107064
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.224316549814302
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8786556040783616
+ONC(=O)Cc1cn(cn1)N=O,0.5
+CN(N=O)CCCC,0.8397186446245065
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.5177380158712734
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.9407508892361559
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.9321214318075898
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.0768073402193463
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.82741599238373
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.7071537838451593
+COc1ccc(cc1)CC=C,0.23798097635509563
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9348717088173527
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.08163229848584629
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.6683760055350892
+[S-]C(=S)NC.[Na+],0.5784549705378459
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.16313560858055745
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.043368224171113606
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.612453596705798
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.956668751839806
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.7782657186200668
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9558646891758089
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9771796895831193
+ClCc1ccc(cc1)CCl,0.3116488284662821
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.12419813823282552
+ClCC1=C(Br)C(=O)OC1,0.8985552050469501
+Fc1cnc2c(c1)c1ncccc1cc2,0.7156049860847852
+O=NN1CCNCC1,0.8850338618326026
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.19023666494574248
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.43183931523439595
+N[C@@H]1CC[C@H](CC1)N,0.20676760553154747
+Cc1cc2ncccc2c2c1n(C)cn2,0.9082505270391553
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.979828101563323
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5204630144820241
+O=c1[nH]cnc2c1cccc2,0.28361532310960363
+[O-][n+]1ncc2c(c1)cccc2,0.7517118198961024
+ClCc1ccccc1[N+](=O)[O-],0.8785797679437124
+O=NN(Cc1ccccc1)Cc1ccccc1,0.8046369573079395
+c1ccc2c(c1)[nH]c1c2ccnc1,0.6956251854126976
+CCCCCCCCCC=C,0.0612299771287851
+OC1CC=Cc2c1nccc2,0.27829896358217326
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.28630746910577215
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.045553423856090465
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.22212969410668362
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7876238336567337
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.8159893992616832
+Clc1cccc(c1)NC(=O)N(C)C,0.20220868388719804
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.16736450703746214
+Nc1nc(O)c2c(n1)nn[nH]2,0.25556517379286553
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.6300698191443485
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9669918317606051
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.36145537149996065
+CCCCCCCCCCCCCC(=O)O,0.0446070540833873
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.1814065674615904
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.828971724820354
+Nc1ccccc1C(F)(F)F,0.263042305125185
+Clc1nnc(c2c1cccc2)Cl,0.6448105989752095
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.9050536756067381
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.19366682364274812
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.9164424986207851
+Nc1ccc(cc1)[N+](=O)[O-],0.8884560203734446
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.16826621183404414
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8129475497371706
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.30014990888755205
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.7668511609422426
+OC(=O)CCP(=O)(O)C,0.07504697690486789
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.10674081943629624
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.974084318415565
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.3455335944822071
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.2574410518330461
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.03163698727360322
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.11132050091497865
+CC(C(=O)NCc1ccccc1)Cl,0.4074432862367655
+Oc1cnc2c(c1)cccc2,0.41342987696700506
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.6835264219725611
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8274727475041382
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.5282767944109092
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.9144980969396445
+CCBr,0.2960390622558603
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9485604390990536
+COc1ccc(cc1)C=C,0.27811725463187686
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.16075797618989268
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.4782233096925654
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.790149067937169
+OC(=O)C[C@@H](C(=O)O)C,0.0752922447163042
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.3559755120134628
+CCOc1ccc(cc1)N,0.7976015632451132
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.396552476717948
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9160397303428977
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.061368982093361155
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.8064088765394867
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.10082988338696039
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.09095341361652547
+NC(=S)Nc1ccccc1,0.3409223935070347
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.9005201925079941
+Cc1cc(C)cc(c1)O,0.09491634246364664
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.5574811645471376
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.8962023829298356
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.8736158103271164
+O=Nc1cccc(c1C)[N+](=O)[O-],0.9386541687870091
+CC(CN(CC(C)C)CC(C)C)C,0.157966776162233
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.12589538551839144
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.7937919988427928
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.9170220351940254
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9268180344201158
+CN(C1CCCCC1)C,0.13636104975659843
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9029494944608372
+O=C/C=C\c1ccco1,0.37398972424394744
+Nc1ccc2c(n1)c1ccccc1cc2,0.9533208723314481
+NNc1ccc(cc1)C(=O)O,0.4821431157849524
+COP(=O)(OC)OC,0.331781363627824
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.3877384918359943
+OC(=O)[C@H](O)C.[Na+],0.1649832982785527
+CC(=C)C#N,0.30461822306299247
+CNc1ccccc1N,0.8101888253584837
+Cc1cc(N)c(cc1N)C,0.5399299070276502
+CCCN(N=O)CCC,0.7688271640279286
+COC(=O)COc1ccc(cc1Cl)Cl,0.22258421977037868
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8084099397070825
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9726810485481179
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.4163973081409331
+COC(=O)N,0.47697512823500154
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.08278387472919486
+ClCCNc1ccc(cc1)CCCC(=O)O,0.33123588031658663
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.1408342505030739
+Cc1cc(nc(n1)O)C1CC1,0.2274143468474921
+[O-][N+](=O)c1ccccc1Cl,0.7317721843746374
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7736235099179715
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.18318676447889795
+Cc1cccc2c1-c1ccccc1C2C,0.612453596705798
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.30539630974457954
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9647609855345403
+NC(=O)CNC(=O)C=N#N,0.7275767832031421
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.14481434305235558
+OC(=O)CCC(=O)CC(=O)C,0.16978694830810612
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9238913580540324
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.08696400255093921
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.09249631165089313
+[O-][N+](=O)CCO,0.7423527318135019
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.7377456888080584
+ClCC(CCl)Cl,0.7057376487841374
+CC(F)(F)F,0.03804302855699558
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.5772299182061986
+COC(=O)c1ccc(cc1)C,0.22595906450048514
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6015435736302372
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8543081284754738
+COP(=O)OC,0.39638842503781047
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.2976718255562689
+NCC(=O)O.Cl,0.23999466406976633
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.8948018105699538
+Nc1cccc2c1c(N)ccc2,0.7521894094905537
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.7141800309179496
+NC(C(=O)O)CN=N#N,0.7996005286260173
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5861949814867478
+CCCCC/C=C/C=C/C=O,0.39059221000979516
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.2309332212861404
+OCCN(N=O)CC,0.8707921712061456
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.8868748557563326
+[O-][N+](=O)c1cnc(n1C)C,0.6100991554482401
+Clc1cccc2c1cccc2,0.5964469851442508
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.22408106262628558
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.06029862465405315
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.6184445843538212
+OCc1ccc(cc1)O,0.16567328676393042
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.48197140394147103
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8226531908313146
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.6210758512370308
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.2583802327957455
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.8812372079518618
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.6987619539700645
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.44854132584644585
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.3523193497910798
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8883714647402725
+OC(=O)c1ccccc1C,0.11937868824278237
+CCCCCCc1ccc(cc1O)O,0.056124648299605846
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.9529135273511805
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.7153787002144705
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.43523925533087165
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.28514824642425957
+OC(=O)C1(N)CCCC1,0.18380675175562528
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.900307068985924
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.8304353676713602
+Cc1ccc(c(c1O)C)C,0.18453467368233595
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.1767353818314419
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.3554912912553302
+O=C/C=C/C=C/C=O,0.4330308658033898
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8357879796138072
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.08605936477105953
+O=c1ccoc(c1O)C,0.24030739613013977
+c1cc(OCC2CO2)c2c(c1)cns2,0.8265123494524449
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.09810495608342533
+Clc1ccc(cc1)CC[C@@H]1OC1,0.7715093915889877
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.8760153364353792
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8704299546256897
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.2976718255562689
+OC[C@@H](CBr)Br,0.8120440917471424
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.5
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.11680637102388056
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.058576407922658544
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.35407002682444255
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.20637837145600624
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.47623129563949107
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.11367871338665776
+CCCCCCCCCCCC=C,0.0595196686257109
+CC(=O)Nc1ccc(c(c1)N)C,0.3899045108641825
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.36838300769078747
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.09958553918760189
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.92463131284237
+O=c1[nH]cc(cc1O)C(F)(F)F,0.13966452166521026
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.1623603369386662
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.6597328879063701
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.09145292107914056
+Cc1ccc(c(c1)C)O,0.2191632840749004
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.6453445776463995
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9052582428626325
+OC/C=C/Cl,0.844420656248261
+OC(=O)/C=C/C(=O)CC(=O)C,0.2349098150047855
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.800032618501798
+CCOC(=O)C(=C)C#N,0.2358664185249136
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.8526396317478642
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.8217874225348104
+CC(=O)OC=C,0.24444955746498667
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.9135672652930996
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.5060656879697356
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.11193800823806195
+O=C(C1OC1)NCc1ccccc1,0.6736794213509437
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.06874218236465567
+c1cnc2c(c1)C1OC1C=C2,0.7155724604394996
+C=CC(=C)Cl,0.2689737300675177
+CC1CCCC1,0.0637316504204692
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.8066608307394928
+OCC(CBr)(CBr)CO,0.44595186934447123
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.5570763704301372
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9689091641442394
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.3439615465361951
+CSC(/C=N\O)(C)C,0.40430461964325276
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.7555382889958238
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0767478836755109
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.4439041733613452
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.3724000476160408
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.8024418336362028
+Clc1cccc2c1cccn2,0.49205404163866073
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.18352137310302272
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.5560242206543482
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9222117634415647
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.16776891969621174
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.8734861166411859
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.7374725637012702
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.7733409238566336
+CNC(=O)CSP(=O)(OC)OC,0.3166769772178202
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.42672256148724647
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.12461244414385135
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9632383177506215
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9658007817219605
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.28198884597426194
+Nc1cccc(c1)S(=O)(=O)O,0.15262573583497366
+O=Nc1ccc(cc1)c1ccccc1,0.8911336932900294
+C/C=C/c1cc(OC)ccc1OC,0.5162516177823494
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8931343564625333
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.1869689916980441
+CNP(=S)(N1CC1)N1CC1,0.6697520668595045
+CNc1ccc(cc1)O,0.41209517516273336
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.1295786868906107
+[N-]=[N+]=CC(=O)NCC(=O)N,0.6079598546000524
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.7331706053538027
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.14469959074091612
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9103189414845652
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9135589639418822
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.39047241905593305
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.14683732632916674
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8164115054431339
+C[n+]1c2ccccc2cc2c1cccc2N,0.9593774964990023
+Fc1cnc2c(c1)c(N)ccc2,0.6575475037501551
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.7950246672554906
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.5
+CC(=O)Nc1ccccc1C,0.1612695013858242
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.3795688097089836
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.7452676491797771
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.907018215657661
+[N-]=[N+]=NCCc1ccccc1,0.8625948305155328
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.09809730489968146
+CC1=CC(=O)c2c(C1=O)cccc2O,0.48714426936722843
+ClC(=O)c1ccccc1C(=O)Cl,0.3303747993185386
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.5050397557000481
+CC(OC(=O)Cc1ccccc1)C,0.09677441620995356
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.39054235826557454
+Clc1nncc2c1cccc2,0.6087985982581281
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.7356377640994525
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.20143065878873903
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.10029017778282337
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.43357504926832363
+CSc1cc(SC)c(c(c1N)C)N,0.37759872574542347
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.294662467377436
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.7731426064758633
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.4603708557463486
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.051906156780417406
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.9236577967750433
+O=S1(=O)CCCO1,0.49467743517025503
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.36423246535073417
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.21879344075536938
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.33053705756187085
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.915217544046524
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8643954823580668
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9589227811320905
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.5834395901660939
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.6971508369752375
+CCOC[C@H]1CO1,0.7462971782027722
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9620175594948449
+CCCCN(N=O)CCCC,0.7296646327007329
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.11923741841569528
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8513153845214783
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.8133087681544053
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.09406012203283882
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.2595750399138507
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.06309180650281736
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.6760648834469026
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.8505285104984526
+CCN=C=S,0.6472298607022772
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.7674412589620951
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.41804035658317995
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.5054042941546286
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.8185537891102144
+OC(=O)C(CCl)Cl,0.6660107506955678
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.8840486086256113
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8668453013686963
+Oc1cc(Cl)cc(c1)Cl,0.05959000827701272
+Nc1ccc2c(n1)no[n+]2[O-],0.9079871958720293
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.3779864896727859
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.09057642698168529
+O=c1[nH]ncc2c1cccc2,0.5799839009637142
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9152183431794766
+Cc1cc(=O)[nH]o1,0.5
+COC(=O)C(=C)C,0.3214372707928218
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.744468470020087
+Clc1ccc2c(c1)nsc2N,0.7639129556380069
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.14171270519163476
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.5156807409535038
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.3729281886681254
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.24442292805290813
+CCCCCCCCCc1ccc(cc1)O,0.07406871265523556
+CC(c1cc(ccc1N)c1ccccc1)C,0.6789277423011693
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8712463278734521
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.39349140539436656
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.09389744998598569
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.2729735107917387
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.8849750686340089
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.19243273943567926
+ClCN1C(=O)c2c(C1=O)cccc2,0.5
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9508243980957951
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.888319454009921
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.4371412712383376
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.2091892709031993
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9515820683864861
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9845023285705294
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.23316309331042126
+ClCCOC/C(=C\Cl)/Cl,0.7943929905516818
+O=Nc1ccc(cc1)Oc1ccccc1,0.8816474438434907
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4685800274891358
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.19396280388857678
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.4187426763567436
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.584641330640826
+O1COCOC1,0.3717699504786248
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.32040564070647454
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9498767985984461
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.33224032751948424
+COC(=O)Nc1nc2c([nH]1)cccc2,0.21869149117040726
+CC(CN(CC(C)C)N)C,0.46161186199348087
+N#Cc1cc(Br)c(c(c1)Br)O,0.27948597581768564
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.594313962181417
+Fc1cc2cccnc2c(c1)F,0.3423006766499245
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.881041568962171
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.888744060004963
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.810137849477199
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9323653447298409
+COc1cccc2c1OC1(C2(C)OO1)C,0.1970281436135973
+Nc1ccc(c(c1)N)C,0.5108544998837454
+O=C/C(=C/c1ccccc1)/Br,0.43310833531039583
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.16144494120153283
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.6529899233794366
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.06534606387659579
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.05239244879280041
+C[C@H](c1ccccc1)O,0.15435626046357645
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9442638281318444
+C/C=C/C1OC(=O)C=CC1O,0.10568726039942719
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.7287158958104428
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.15062842727291348
+OC(=O)CN=N#N,0.5899915534346593
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.10263945777535374
+Nc1cccc(c1C)N.Cl.Cl,0.5128986664266335
+CCOP(=O)(SC(CC)C)SC(CC)C,0.09536098683712627
+OCC#CCO,0.1920386007201894
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.44892887672662984
+CCCC,0.07083466608153488
+COc1ccccc1O,0.34464886916728343
+BrC(C1=C(Cl)C(=O)OC1)Br,0.9460587470298796
+O=Nc1ccc(cc1)O,0.6463973597954658
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.8527343609344135
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.7488448467845312
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.07684258885576743
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.8711198103938099
+Nc1cccc(c1C)N,0.5128986664266335
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.925576565116574
+NCCc1ccc(c(c1)O)O,0.36334011593282906
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.6034814813658704
+O=C(c1ccccc1N)OCCc1ccccc1,0.23576638204398595
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.14966925590427785
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.39848241030288317
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7305353754430055
+[O-][N+](=O)c1ccc(o1)CNCCO,0.742938665445153
+COCC(=O)O,0.3182633927115818
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6052884491324099
+Nc1cnc2c(c1C)nc1n2cccc1C,0.8537653682958091
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.13116703522682774
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.12212731257385889
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.2794731105514711
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.19411916601026444
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.3455335944822071
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.40861135824838857
+ClCC(=O)Nc1c(CC)cccc1CC,0.2754448117520211
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.09389744998598569
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.9167506151039763
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.4008994195583585
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.7002184582190711
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8936666344048452
+O=Cc1ccc(cc1)N,0.4824388938997409
+COc1cc(N)ccc1C,0.6617470275429124
+CCCCN(CCCC)CCCC,0.13932974582253416
+OC(=O)CS.[Na+],0.233583672344252
+ClCc1ccccc1,0.3901568974077052
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.1748064097871045
+CC(C(=O)Nc1ccccc1)C,0.1876000064614906
+COC(CC(=O)C)(C)C,0.16431774999137883
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.5905686676494977
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9094616834120973
+N#N=NCC(C(C(C(CO)O)O)O)O,0.6928280693596719
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.1523093747069514
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.4697598979108629
+O=C(C(Br)C)NC(C)(C)C,0.26800697291604625
+Oc1ccccc1Cl,0.16260282333025874
+C1CCC(CC1)N=C=NC1CCCCC1,0.5307818077148025
+O/N=C(/c1ccccc1)\N,0.6103813298135765
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.16506023492983113
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.982265023242309
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.2895636971458292
+Fc1ccc2c(c1)sc(n2)C(O)C,0.5113971354623441
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.257677812428603
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.7101988644537981
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.0599514233749339
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.062312462395703344
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.2600127005453406
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8629953006477487
+N#Cc1ccc2c(c1)nc([nH]2)N,0.720187073895388
+Cc1ccc2c(c1)ccc1c2cccc1,0.8811598032221933
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.4848162386689021
+C[C@@H]1O[C@H]1c1ccccc1,0.6112763527745182
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.2792272696652999
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.17189765027953716
+ClCC=CCCl,0.7277789446581886
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.8638206314698241
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9610314910153935
+S=C=NCCc1ccccc1,0.5196076234246734
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.8695848112071272
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.778590232013622
+Clc1cc(Cl)nc(n1)Cl,0.06949166926645389
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.1137385077963857
+CCN(C(=O)N(C)C)N=O,0.8658528097155073
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.3026280816921743
+ClCc1c2ccccc2c(c2c1cccc2)C,0.8494766570085515
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9809628356749982
+OCCNc1ccc(c(c1)O)C,0.4596856525520766
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.16038477443569998
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.7736235099179715
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.43362903599223
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.8609662962747829
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.03125992884355561
+CC(C[C@H](O)C)C,0.09785647981807039
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.4140132839905068
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.2844635317848
+CCN1CCN=N1,0.8359674713644252
+Cl[C@@H](C(F)(F)F)Br,0.2105607403524948
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.6763864278212425
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9148872448893235
+NC(=N)c1ccccc1,0.31305953085202387
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.23300149516748614
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.05760616348094866
+CCNc1snc2c1cccc2,0.5914249176109088
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.16507810006720075
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.07281576675802638
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.4137494320440907
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.4392276660769818
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.10903940535464769
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9461669393638779
+OCc1ccccc1,0.20809383947846705
+O=C1NC(=O)c2c1cccc2,0.09580449430191393
+C1CCc2c(C1)cccc2,0.2852531568496317
+Cc1cc(ccc1N)c1ccccc1C,0.8504183494664874
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8457436916176931
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.16501554419807404
+CC1=CC1,0.42700205985814543
+COCC12OOC2(C)c2c(O1)cccc2,0.25822862240912486
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.22988829087490947
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.8332522959222344
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.8933025126815473
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.4373690946094016
+CC1=CC(C)(C)Nc2c1cccc2,0.21693152748286826
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.1408342505030739
+COCC(=O)Nc1c(C)cccc1C,0.2552881922966048
+O=C1CCC(=O)O1,0.31649539632794943
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9116811261075874
+N#CCCCCC#N,0.20181447261657184
+OC(=O)c1ccc(cc1)C,0.14151861151423176
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.44315914185969496
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.6731929119627162
+CCNC(=S)NCC,0.14003882458390332
+CC(c1ccccc1)CCN=N#N,0.8454595536543497
+CCOC(=O)C(C(=O)C)Cl,0.3172432167194934
+Nc1nc2c(s1)cccc2,0.7134441860514874
+CC[C@@H](CN)O,0.2626088765854857
+Clc1cc(Cl)c(c(c1)Cl)O,0.1702654852081829
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.9118254675625419
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9038470222482793
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.49272350871799336
+BrCc1ccccc1,0.3447535774012373
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8966669518652729
+Nc1sc2c(n1)C1CCCNC1CC2,0.46382683681985687
+BrCc1cccc(c1)[N+](=O)[O-],0.8837269797524536
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.35160410954236054
+COC(=O)c1ccc(cc1)CN(N=O)C,0.7734090958799502
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.10019668657456532
+CCOC(=O)c1ccccc1N,0.4214270772805887
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.19738802769909117
+ClCC[N+](CCCl)(C)[O-],0.5611272145600248
+c1ccc(cc1)Oc1ccccc1,0.21496942064053678
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.26575798897113845
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.7534297642254852
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.23252371930529384
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.36263006989580876
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8511893035548296
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.7856316801318838
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.915317648969557
+COc1cc(ccc1O)C(=O)C,0.3055303763580278
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.3436324500898502
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.8131328349415937
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8430541892402249
+OC/C=C/c1ccccc1,0.4343319358513748
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.41753598638432976
+CC(c1ccccc1)C,0.1508144989864216
+CC(CNc1snc2c1cccc2)C,0.5512853690803301
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.1686200649935046
+OCCCCl,0.7097429376695508
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.3308898376837566
+CCc1cccc(c1N)CC,0.39091831144350203
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.11319670063527217
+[O-][N+](=O)CCC,0.7584044529759689
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.05968750625827715
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.6625900257260299
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9710131178286998
+NNc1nncc2c1cccn2,0.8920157240952763
+Cc1cc(O)nc(n1)S,0.06743365225668158
+CCOS(=O)(=O)OCC,0.2290118467590761
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.963653453168735
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.43645504789402695
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.10264833823931895
+CC(CON=O)C,0.9082834980727507
+CCN(c1ccccc1)N=O,0.8495230937390628
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.5734638147701623
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9710421076287757
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8334057351180595
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9812256289426533
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9365227545142271
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.7269955324645917
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.3201445889259036
+CN(c1ccccc1)C,0.5
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.17269200125180195
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.3704157360569188
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.640044734234246
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.24879986223149292
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.16450123243164852
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.85790819367237
+CC(S(=O)(=O)Cl)C,0.5486823637501743
+COc1cc(C=O)c(cc1OC)OC,0.25613271571855534
+CCCCCCC(=O)OCC,0.14004911365618358
+CC(OC(=O)CC(=O)OC(C)C)C,0.14192753649066497
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.1504865228942451
+Nc1nc(NC2CC2)nc(n1)N,0.31648668483096654
+O=NN(CC(=O)COC(=O)C)C,0.8781833908100712
+Nc1ccccn1,0.22788128095149465
+BrC(C(Br)(Br)Br)Br,0.4261006497086673
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.509602443143881
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.4250589913099114
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.80758276994278
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.21210214822128376
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.27843680410533556
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.09488002000665818
+N[C@@H]1C[C@H]1c1ccccc1,0.5462267270263144
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.05587925448395263
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.7480472936697804
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9213064777016345
+COc1ccc(cc1)CCC1OC1,0.8124042723157727
+COC(=O)C(Cl)Cl,0.83608026126754
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.04772782663962985
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7813583841552592
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.0741121255220803
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.6652080148225201
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.03281448826587451
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.8880518859681321
+CCOc1ccc(cc1)NC(=O)N,0.3627094600117925
+CN(c1ccncc1)C,0.27839291037492236
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.6092565743926363
+FC(Oc1ccc(cc1)N)(F)F,0.27639564059423266
+BrCC(=O)NCc1ccccc1,0.531753570485975
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.18341089436870897
+O=C(C1OC1)Nc1ccccc1,0.7556769686873323
+OCCc1ccc(cc1)[N+](=O)[O-],0.7216705811624162
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.6666257137501324
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.2760890336393047
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6657976272733986
+OC1CC(C)(C)N(C(C1)(C)C)O,0.15439976693216487
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9704518005844139
+COc1cc(N)c(cc1N)C,0.7389240503321749
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.46775300797617475
+Nc1c2ccccc2nc2c1cccc2,0.8643954823580668
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.03663597828169913
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.38466139420132933
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8883782100297478
+OCCN(C(=O)OCC)N=O,0.7644960585001108
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9270714996819965
+NC(C(=O)O)CS/C=C/Cl,0.7172730743070459
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.3780228323564499
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.8719931474086894
+BrCc1ccc(cc1)CBr,0.25631164753424857
+CC1CCc2c(C1)occ2C,0.17337167102209863
+Cc1ccccc1Cl,0.09860471520693327
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.19662860666947296
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.9683336957510207
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.7251933525447329
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8527077769323193
+NNC(=O)CNc1ccc2c(c1)cccc2,0.8243251971838934
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.839738005903224
+Clc1cc(Cl)c(cc1Cl)Cl,0.06641345401004542
+CCCC[C@H]1CO1,0.7235149910550955
+FC[C@H]1CO1,0.9340113762430619
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.1611954687563928
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.826762545973572
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.9441064564533691
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.6319647824695664
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.5475868544783623
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.34816972668679985
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9424700781729907
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.05714998629597164
+Nc1ccc(cc1)N.Cl.Cl,0.5343377182331988
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.03685571590397956
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.07196107368381484
+Ic1cc2cccnc2c(c1)C(=O)O,0.1233356833785568
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.23096297165258214
+COc1nsc2c1cccc2OC[C@H]1CO1,0.8389260392696516
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.1114782290885555
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.81213409339405
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.08453304145094252
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.2475035039088355
+CN1CN(C)CSC1=S,0.2172695844170579
+ONc1ccc(c(c1)Cl)Cl,0.4319789658162904
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9592310576980319
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9825399721612808
+NC(=O)c1ccccc1C,0.38639535308145545
+C[C@H](CN)O,0.25907131779028664
+COP(=S)(OC)OC,0.28900150280729153
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.9102704229226073
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9402691503878943
+NCCNc1cccc2c1cccc2,0.8929905791837129
+ClCC(CBr)(Br)C,0.6634918665191188
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.7628616566247616
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.2632271082516114
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.8312852383163211
+CCCCOCCCC,0.12022740461886551
+OCC(CBr)(CBr)CBr,0.512744059471567
+O=NN(C(=O)N)C[Si](C)(C)C,0.6812639812575811
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.4193128646971482
+CC(c1ccccc1)Cl,0.34231447295737666
+CCC/C=N\O,0.6481290857739332
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.050595886770421046
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.23565936943844845
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.961976149362508
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.07476377845586986
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.5
+COc1ccc(c(c1)C)N,0.6549798415593544
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.7766281494478274
+S=P(N1CC1)(N1CC1)N1CC1,0.7002533973746439
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.8321367635561172
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.8958240247756495
+O=Nc1ccc(cc1)C(=O)C,0.8555548611703785
+COC(=O)c1ccc(cc1)C=O,0.24353701860707724
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.7278984836802838
+CNCCCC(=O)O,0.1825731177523529
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.05183403229714935
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.20537408011531316
+ClC(=O)Cc1ccccc1,0.14847524699012415
+CNC,0.17941469972525118
+Oc1nnc(c(n1)O)C,0.1394552307390709
+COc1ccc(c(c1)OC)N,0.6415915509481629
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.930408834790486
+O=C1NCC[n+]2c1cccc2,0.22600872145112882
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.47295123977474185
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.3542895645732983
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7388104007355863
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.23428299294759738
+Nc1cc(Cl)c(c(c1)Cl)N,0.6689606872408635
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.8528987034997723
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.28810795426936947
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9381296567917982
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.30850524911752886
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.3950600418172121
+CCc1ccc(nc1)C,0.1424342576679756
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.11367871338665776
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.16447676358656751
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.48716834517087837
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.12786987876384534
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.2346844297643805
+CC(=O)O,0.11554316005707722
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.1052055288277132
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.07199495734385732
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.5970712442573783
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.30578497103541347
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.16507810006720075
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.3400875223456872
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.905022236274598
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.5464687024929323
+CCCCSCC[C@@H](C(=O)O)N,0.24073930389148518
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.10817352716402148
+CCSCC[C@@H](C(=O)O)N,0.40889406682516993
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.7550740620745503
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.20384496058750554
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.0771931893064931
+Clc1ccc(c(c1)Cl)C(=O)O,0.10860932361921555
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.06289635830398142
+c1ncc[nH]1,0.16265239548234917
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.7899821872686489
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9788623995715884
+Oc1ncnc2c1cccc2,0.2739225749766993
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.21411739149300646
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.16508075219788065
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.23480066132379718
+OC(=O)C[C@@H](C(=O)O)Cl,0.29582166943744725
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8127570010122188
+O=Cc1ccccc1Cl,0.2190379081319227
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9003959310687568
+ONc1ncnc2c1ncn2C,0.597237747248805
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.31347916867676123
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8058290902399524
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.128162986872378
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9307410011963115
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.9461040897254072
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.12007577881689632
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.6650597923994022
+FC(OC(C(Cl)F)(F)F)F,0.5258969519563771
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.8883714647402725
+ClC(C(Cl)(Cl)Cl)Cl,0.38933608267664
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.046945271685840874
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.10255938592182333
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.28703936562840443
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.7647447855243336
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.05127734810498755
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9710352022519563
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.5234461483765571
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.2246296710669907
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.759789161678714
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.15833399280389576
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.11493934403738613
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7340261847946635
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.15473248944120668
+NC(=O)c1cnccc1C(F)(F)F,0.11496521817830917
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9057248035434969
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.21489510461160635
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.6996977043856544
+O=C1C=CC(=O)N1,0.14760927584301095
+O=C1NCNC(=O)N1,0.0980994906723513
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.19105831075950006
+OC(=O)CCCc1c[nH]c2c1cccc2,0.15764113325639045
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9231837235940625
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9768655063627611
+OS(=O)(=O)c1cccc2c1nccc2,0.1250123424817383
+BrCc1cccc(c1)CBr,0.44830073984337127
+c1ccc2c(c1)[nH]cn2,0.23727865259427777
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.06858322427458789
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.8194786374077625
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.5075628172060449
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.17790430849728495
+O=C1C=Cc2c(C1=O)cccc2,0.5754915509277656
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.2324792854733958
+OC(=O)Cc1ccc(cc1)N,0.1506740328823169
+NN(C(=O)C)C(=O)C,0.45824283218487305
+CCON(C(=O)c1ccccc1)OC(=O)C,0.417783491288141
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.1649858697108883
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.16692080019056166
+Clc1cccc(n1)Cl,0.12868869747324588
+OCCN1CC1,0.5886935088111458
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.663345755838103
+CCOP(=S)(SCSC(C)(C)C)OCC,0.1595655740778046
+Cc1c(C)cccc1N,0.4403941603269047
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.05602487731985667
+O=c1ccc(c[nH]1)C(F)(F)F,0.09621449235483372
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.3467266971376648
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9794530494294587
+Fc1c(N)cc(c(c1Cl)F)Cl,0.523523678972978
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.18341032512593083
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.33231151366499045
+NCCC(N)C,0.18420888975620522
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.06666191283210472
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.06115187935367931
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.5732656916024138
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.8131759995263879
+CNC(=S)N(C)C,0.4077745549801767
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.21078787478358077
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.5335090005499095
+NC(=O)c1ccccc1C(F)(F)F,0.15960819905740606
+CC(OP(=O)(F)C)C,0.11746274117574282
+COS(=O)(=O)C(F)(F)F,0.286671538793677
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.24058909652353896
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.185249022355604
+C1CC2=CC3C(C=C(C1)O2)O3,0.39545646295655995
+CCC/C=C(/C=O)\CC,0.23414099630542995
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.738013509253527
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9486962527102818
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.17300660463160258
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.44444324674507407
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.13012733994207568
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9091372051739027
+C/C=C/CC#N,0.19422468364945614
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8279603102079728
+c1cc2cccc3c2c(c1)CC3,0.4529591757838321
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.98152103715945
+ClCCOP(OCCCl)OCCCl,0.48880752811373857
+NNc1nncc2c1ccnc2,0.9296912616247974
+CNC(=O)c1cccnc1S(=O)(=O)N,0.20370002819586588
+C1CCNC(=O)N1N=O,0.8031346893071821
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.17909782870919327
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.6978571644208387
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.22904477318670824
+OCC(Cl)(Cl)Cl,0.4855757988403737
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.09744971792216153
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.7509307077945294
+CN(C(=S)N(C)C)C,0.4743203509240646
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9022836386436441
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.8923502186367345
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.5067217831801241
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.6936766328929906
+CCOc1cccc(c1)N,0.3730027389009263
+Cc1ccccc1N,0.5543866243801043
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.16347503386046167
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9607138844877741
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.6812667886420481
+CCNS(=O)(=O)c1ccc(cc1)C,0.17820353839738398
+CC(=O)Oc1cccc2c1nccc2,0.4636406889893516
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.7160131687206921
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9385671346531824
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.8487753888943377
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.07135609903045823
+O=C(C(=O)c1ccccc1)c1ccccc1,0.4073942825422803
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.45061151167620417
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.46517467249224803
+c1ccc2c(c1)c(ccc2)CC1CO1,0.8989459509019234
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.627990283491543
+OC(=O)c1cccc(c1Cl)Cl,0.12068936303129874
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9646550073867807
+Nc1n[nH]cn1,0.30381102367195445
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.9304208871359015
+Nc1ccc(cc1)c1ccc(cc1)N,0.8235362054266212
+Oc1cc2ccccc2c(c1)O,0.2426223822778468
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9596201870544714
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.15033924597165366
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.09614995486668493
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.35435309934732323
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.08654251716365102
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.16252014950964702
+Sc1ccccc1,0.055275594768244674
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.28873795272086
+Nc1ccc(cc1)N,0.5219968718931041
+CCCC[C@H](COCCC#N)CC,0.14053240514524745
+CC/C=C/[C@H](C=O)CC,0.2062101296262622
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.931863641513085
+C1OCCO1,0.2771526280303534
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.8655067358708594
+COCCl,0.884729367117592
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.6076533144899752
+OCc1cccc(c1)Oc1ccccc1,0.6323503142165944
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.22004193265934163
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.1602607047589423
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.12840242871634344
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.12515211481361085
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.357305152755566
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.7921802553948439
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.74702757027673
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.9043730883784739
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.8608821654255435
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9859490346612098
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.129820073180223
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.1637627318263574
+Clc1nncc2c1nccc2,0.5388666428344961
+COP(=O)(SC)SC,0.2795527828266728
+Oc1cccc(c1)N(C)C,0.1981777729386145
+CCC1(C)CO1,0.5154500979054626
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8795579180901709
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.5
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.36280117448471283
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.4451636235669072
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.5997285793965819
+OCc1nc(N)nc(c1)C1CC1,0.296270353441399
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.23227352891140682
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.9130457835208124
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.046327482071198835
+OCCCN(N=O)CC,0.8193102955114395
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.3068605758036109
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.8197038168895519
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.3411558609223248
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6841098813745249
+CC(=O)c1ccccn1,0.1980340430359003
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9312767276384416
+Cc1cc(=O)[nH]c(=S)[nH]1,0.11062149121503956
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.8603128936270906
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.15627171483264685
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9445567244589875
+Nc1ccc(c(c1)C)N,0.6775360836333848
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.6909216514497221
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.742607514905392
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.17984804105891403
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8612023922235379
+O=C1CCCCCCCCCCCCCCO1,0.24396055104096287
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9564842134088217
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.2660105698921059
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.849660397401576
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.912289153762916
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.3025253856575381
+Cc1cc(C)c2c(c1N)nsn2,0.8307093081830427
+c1cnc2c(c1)CCC1C2O1,0.5940019329407702
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.15360790116976034
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9009926104457088
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9485865209306308
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9588000472314527
+OC1=CC(=O)C1=O.[Na+],0.4691075828246223
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.2510336768753367
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8770570769944005
+Cl[C@@H](C=C)CCl,0.6717091417841226
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.12753517698955041
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.018141876212171417
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.8897513202515882
+[O-][N+](=O)/C=C/c1ccco1,0.7519112478482953
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.8598433098069974
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7841698184588084
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.3811753246295213
+CCC(C)C,0.07377835446864137
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.45345119792470107
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.5307848625413544
+Clc1ccc(c(c1)C)O,0.35049289713979487
+NNc1ccc(cc1)[N+](=O)[O-],0.9528759023610348
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.24481156935833517
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.87894925535437
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.12499597613077273
+N1CCN(CC1)c1ccccc1,0.47764136147725106
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.2720131101925129
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.6141369082051537
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9188924395065934
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.870702164283344
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.1629754830956111
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.25109039505231867
+CCCCCCCCCCCCS,0.07625612242295667
+NCc1ccc(cc1)CN,0.6222307349160027
+Nc1ccc(cc1)Sc1ccccc1,0.7740260190740771
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17087020894976238
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.08025252484524835
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5793482666377325
+C1CCC2C(C1)c1ccccc1CC2,0.48714616817688156
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.4022251836390932
+C/C=C/C=C/C=O,0.4298062748644967
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.7060014471118687
+C[Si](O[Si](C)(C)C)(C)C,0.06715834760287968
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.1923851766009646
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.16517583682243084
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.8869134501891879
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.24058909652353896
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.14088991917501448
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.5454533232983758
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.23019870264250142
+CC(=O)c1ccncc1,0.2021044249816686
+C[C@H](C(=O)NCC(=O)O)S,0.3304249372776043
+COc1cc(N)ccc1N,0.7725146219709232
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.9040649868658811
+On1nnc2c1cccc2,0.5888440488159195
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.7023346425613701
+O=Cc1ccc2-c1cocc2COC(=O)C,0.40674989677534606
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.2390182138538982
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.6594913751505189
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.20773963002629173
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.2717184360325906
+OC(=O)COc1ccc(cc1)Cl,0.1986363422604075
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8872233393785632
+Oc1ccc(c(c1Cl)Cl)Cl,0.21697020054086727
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.941105376423449
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.5590169685251236
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.23477042230630732
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.48411465303915435
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.8754059238507957
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.05942915084541614
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.6723599552012686
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.7205139452654832
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.06377693701038321
+ONc1ccc(cc1)Oc1ccccc1,0.7708378215780047
+C/C(=C/C)/C#N,0.2782734104207632
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.4653136115005937
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.1569426434626358
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8993517746263793
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.85191497636454
+ClC1CCN(CC1)N=O,0.9372266930204817
+CCCCC/C(=C/c1ccccc1)/C=O,0.33777820518550644
+Cc1cccc(c1)N.Cl,0.38986776049574123
+Nc1ccc(c2c1cccc2)N,0.8782293675383984
+CCOC(=O)[C@@H](C(=O)C)Cl,0.31696510736862576
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.13894668308849525
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.05326730477790179
+NC(=O)c1c(Cl)cccc1Cl,0.2917538685454762
+Nc1ccc2c(n1)n1ccccc1n2,0.8028940412160657
+CC1OC(C)CN(C1)N=O,0.8655067358708594
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.87492890784858
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2620680310426708
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.09144937101262719
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.567245740174928
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.32997990158845775
+O=NN(c1ncn(c1C(=O)NC)C)C,0.6369197982154579
+O=NN1CN2CN(C1)CN(C2)N=O,0.746659012048662
+Oc1ccc(c(c1)Cl)Cl,0.23216008185264844
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.814697036691848
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8437682127414505
+OC(=O)CC(C(=O)O)N,0.1638808164995202
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.5450185780360814
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.1836232962660039
+Brc1cccc(c1)c1ccccc1,0.3972908960481816
+Cc1cc(C)cc(c1)N,0.2346434913299791
+[N-]=[N+]=NC[C@@H](CO)O,0.8692865523652125
+C[n+]1c2ccccc2cc2c1cccc2,0.8789847708890642
+NNS(=O)(=O)c1ccc(cc1)C,0.6357607454973386
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.1683179516299298
+C=CCc1ccc(c(c1)O)O,0.2778380691987581
+Cc1ccc(cc1)[N+]#N,0.7315471114476845
+Nc1ccc2c(c1)scn2,0.613891758447239
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.7958445393009344
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.11612683619223163
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.1959463962305673
+Clc1cccc(c1)Cl,0.07862113784465609
+Fc1cccc2c1nccc2,0.4141645071599985
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9910390939950756
+Oc1cc2ccccc2c2c1cccc2,0.684239205017373
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.29941036768466395
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9533774373360092
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9662687964160465
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.3486484565575695
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.6493955452983149
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9746950895466662
+CCCCCCOC(=O)C(=C)C,0.139080091046625
+ClCCC(CBr)Br,0.6862917010748096
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.16308668190739206
+Cc1cc(C)nc(n1)N,0.13856252000965538
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.926444777065283
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.2203040400351043
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.9074526639208
+O=NN1CCC[C@@H](C1)Cl,0.965284926480547
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9317123122121976
+CC(Br)(C)C,0.05475013543691916
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8668749593598165
+O=C1C=CC(=O)c2c1cccc2,0.5257008586632221
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.2700601979875861
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9375814934862621
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.09090159659528468
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.09597511293019842
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.10272400008688562
+[O-][N+](=O)c1cccc2c1snc2Cl,0.8972210687824647
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.11235113497493396
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.28511424567456795
+OCCC#N,0.27815270677415066
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9052332581067772
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.892496654067063
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.3957488076833929
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.3168561502642149
+CCCCOC(=O)C(=C)C,0.19191806307544088
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8223977335374394
+O=NN(Cc1cccc(c1)C)C,0.8655962971567364
+CN(N=Nc1ccc(cc1)Cl)C,0.8387644026569955
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.16008222697671884
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8576396783877062
+CNNC,0.35936620449956064
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.13475404828044427
+CNC(=O)N(C(=O)C)O,0.21253419583680622
+N=C(NC(=N)N)NCCc1ccccc1,0.20497698169879106
+O=N#Cc1cc(C)cc(c1)C#N=O,0.44961403724680926
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.7014541653118496
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.8904345876938915
+CC(=O)CCl,0.8744019215470505
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9245767937783856
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.08335471160035167
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.8797498957076205
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.8716039989721499
+O=CN(C(=O)N(C)C)C,0.4330445779221374
+OC(=O)Cc1c[nH]c2c1cccc2,0.17249049311848813
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.7571046394292874
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9286987045626652
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.9313129463450008
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.8913119783526132
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.14003985994129384
+OC(=O)c1ccco1,0.22277071775628998
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.8990243587535169
+OC[C@H]1CCCO1,0.3813659794117961
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.92373093806271
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.8959493137651876
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.411307519224867
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.8048442213912617
+OC(=O)CCc1ccccc1,0.09253965636205294
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.7734390552223094
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.925405961680708
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.06974161897837214
+CCCCOC[C@H]1CO1,0.7193325801490849
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.479472355230062
+Clc1ccccn1,0.1907066216818676
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.6370221617011027
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.07222358692812746
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.848530885393415
+OC/C=C(/CCC=C(C)C)\C,0.12157260377225132
+C=CC=C,0.12701939589019576
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.2786694241495187
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.09355849612060113
+Oc1ccc(c(c1)C)Cl,0.1890783317366779
+N#Cc1cccc(c1)C,0.2372622399403926
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.19396190151200046
+Oc1ccnc2c1cccc2,0.29481504536408387
+Clc1ccc(cc1)S(=O)(=O)C,0.14963812101881893
+CC(=O)C(Cl)(Cl)Cl,0.5
+CCC(=O)C(=O)CC,0.1411993817417235
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.13633585192730358
+ClC[C@H](Cl)C,0.7308046905006855
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.05210819554965848
+CC(Cc1nccs1)C,0.11434683260798423
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.1631147510339669
+O=Cc1cccnc1,0.13880734639093928
+CN(C#N)C,0.5720813665693394
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.13675522596266043
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.876390833192992
+CC(COC(=O)Cc1ccccc1)C,0.1410282229665721
+Oc1nc2c(o1)cccc2,0.15399194584372844
+OCCN(c1ccc(cc1)C)CCO,0.22054991203815782
+CN/N=N/C,0.8662308894694408
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.3595973066176509
+ONc1nc2c(n1C)ccc1c2cccn1,0.9242660086157803
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.5802385210145065
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8805931151747661
+Sc1ncnc2c1[nH]cn2.O,0.4268401326946896
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9418945891991631
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.36408093924487345
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8765148333902841
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.9182521936590516
+O=C(c1ccccc1)/C=C/c1ccccc1,0.42812173238003026
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7059902105445078
+N#C/C=C\C#N,0.22056340262222443
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.9135423573744963
+N#Cc1ccc(cc1)C(=O)O,0.2334297368037158
+C1CCC2(CO1)CO2,0.41352047095783145
+COC(CCOC(=O)C)C,0.187433784550653
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.08382594376182351
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.906625346247647
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8336641203975984
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7579387130138562
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.17643628991034743
+O=C1NCC(=O)N1,0.22134011354210273
+OC(=O)/C=C/C=C/C(=O)O,0.22826934717804928
+N#C/C(=C\c1ccco1)/C(=O)OC,0.408660634448363
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.11365943425806395
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.08543951500045473
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.8450877972120262
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.1259127861213651
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.22813163832357708
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9756053660394483
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8082398390810182
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.08821526933851054
+C1CCC2C(C1)c1ccccc1C=C2,0.5736427127867795
+NCCN,0.3942909705785066
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9734628300455398
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.49068045812528205
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.14679957388217088
+Oc1cc(O)c2c(n1)cccc2,0.19955362673525712
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.8478490758516288
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.9024353615631812
+O=Nc1ccc(cc1)Sc1ccccc1,0.8247470750900032
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.36499298495462246
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.1689529789300782
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9720490093496648
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.9658279865607271
+Nc1ccccc1O,0.3360728114401649
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.11070191692933057
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.31054897099900264
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.13156112974852782
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8416883516215031
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7755847852852575
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.09945765764552794
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.39319256343414083
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.923696806464532
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.6161875538645516
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8715941878042949
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.09607777399669314
+Nc1cccc(n1)N,0.1761283679370966
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9073776867902977
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.4157867916303416
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7032342244823095
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.8216944114924583
+CCC/C=C(\C=O)/CC,0.23414099630542995
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9391834187481366
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.3931380504812449
+CCn1c(N)nc2c1ccc1c2cccn1,0.9275937570825749
+ClC(=O)c1ccc(cc1)C,0.249051617504633
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.6566834661663105
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.11426885863392694
+c1ccccc1,0.09545935188752332
+CCCCCCC=C,0.07366822283099547
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.8545188480867966
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.7996253698989768
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.42387484346289767
+N#Cc1cccc(c1)C#N,0.27213484026508433
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9722387913582314
+Cc1ccc(cc1NCC)O,0.1861974361003092
+CCOc1nc(ns1)C(=O)O,0.3184388624320198
+O=C/C=C/c1ccccc1Cl,0.47835356591518396
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.8542230098857635
+N#CCc1ccccc1,0.14584790154037847
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.49166652496523205
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.7068171597592853
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.7633278946759867
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.07704036169606288
+CCOc1ccc(cc1)N=O,0.8283894707434084
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.8656716431177723
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.6469733825981874
+CCCCN(CCCO)N=O,0.8050806563007035
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.49057509298667373
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8887204833464796
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.11287535857509723
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.9079258695951934
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.04961202481389765
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.378119109106096
+CCCCCCOC[C@H]1CO1,0.7594539008120411
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7949245928469384
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.8271239793472122
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.8056782727530418
+CCOCCOC(=O)C,0.3635200612687958
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.15342437896799904
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.9142688829510882
+CNC(=O)Oc1cccc2c1cccc2,0.5257014996312549
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.8514924850972814
+CCc1ccccc1,0.140828456171435
+CC(Nc1snc2c1cccc2)C,0.5164418946889047
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7819679817522053
+C1CC23C(C1)(O3)C=CC=C2,0.28912883463682254
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.36695761192560106
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.14941380940660562
+OCc1ccc(cc1)[N+](=O)[O-],0.8449063241622099
+ONc1c(C)cccc1C,0.6691440177799258
+Nc1ccccc1S(=O)(=O)O,0.0712743106368338
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9707867053303133
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.18068800521673906
+C1NCCS1,0.186244325422505
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8837938506488793
+Cc1cccnc1,0.17458006526753597
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.44080248022061
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.2195969942589316
+OC(=O)COc1ccc2c(c1)cccc2,0.47792121062012705
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.1292094206735932
+O=C1C=CC(=O)C(=C1)Cl,0.522861854720165
+O=CC1C=COC=C1,0.4094989013714995
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.8246233635192788
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9845775023808393
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9497043051066
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.9236679110546974
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9562999966931577
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.17648792056821044
+ON1CN(Cl)CN(C1)Cl.[K+],0.389114332605575
+CCOC(=O)C(Br)C,0.5554325485261122
+Clc1cccc(c1)[N+](=O)[O-],0.824769495479952
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.258947478849632
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.23618763168753648
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.20293510030516787
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.974154581401934
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.0902902176574894
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.23152232229737008
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.9729331469890049
+CCOC(=O)CC(C)C,0.19058414353986758
+CCCCCCCCCC,0.08325597102125006
+[O-][N+](=O)C1CCCC1,0.8445548104804719
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8791184369980933
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9010088786667857
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.07013165447696859
+O=NN(CCN(C)C)C,0.7500351362624144
+O=C/C(=C(/C(=O)O)\Cl)/C,0.2947435856862762
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.91472907406345
+C[C@H](C=O)CC,0.344234506630871
+C1CCC[C@H]2[C@@H](CC1)O2,0.3512142376903764
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.053809227538474884
+CC(=CCC1CCCC1=O)C,0.19633997693858227
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.5198849630572565
+Cc1cccc2c1ccc1c2cccc1,0.8707513610524927
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9605105987603969
+CCOCCOCC,0.16869876103283737
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8906771199780624
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.1400923017796529
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.6993096006272757
+OC(=O)CC(C(=O)O)O,0.10654803097287466
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.041259937044559714
+C[C@@H](c1ccccc1)CCc1ccccc1,0.22000339010705966
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.21855649131352645
+ClCCCN(C)C,0.4445294051633796
+NCC[C@H](N)C,0.16313438897228663
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.28238817844940084
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.5966350155315545
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7459390651273652
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.8584784282494516
+CCc1ccc(cc1)C,0.1482756793095305
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9572471592559978
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.7816701655523599
+O=C1NCCN1c1nccs1,0.20329334805410143
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.11188891780887318
+OC(=O)/C=C/C(=O)O,0.13776671133936966
+BrC/C=C\CBr,0.6679065698688111
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.8724261747781262
+Ic1cc(Cl)c2c(c1O)nccc2,0.35986892254212766
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5553971457983085
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.1688378640340881
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.052758419043459716
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.7406180236008929
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.8024655145917123
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8778853339267628
+CCN(c1ccccc1)CC,0.34448170732751443
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.6880006016242847
+c1scc(n1)c1nc2c([nH]1)cccc2,0.5505864159415363
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.8343005221669425
+COc1cccc(c1O)C=O,0.27988674096772337
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9737643086390845
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.44644414855819853
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.15145026570618672
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.8239135144657626
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.9671373192834591
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.41864184358626194
+CCOc1ccc(cc1)[N+](=O)[O-],0.8186206137427197
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9815258393981048
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.505891304839082
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.9528879897362927
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.48383194073581387
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.268142914188558
+NCCc1cc(O)c(cc1O)O,0.4347453933163165
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.0902902176574894
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.8739406560458415
+CCC(=O)Nc1snc2c1cc(C)cc2,0.3845341192595836
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.7441621074623982
+ClCc1ccc(cc1)C,0.20414460567594522
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.5984793404646293
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.912289153762916
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.3616925432113448
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.2747739327074402
+FC(C(F)(F)F)Cl,0.16484271700132766
+CCCCCO,0.11284258753104383
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5224154900039734
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8835910265018139
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.9147209614205388
+NCC(=O)Nc1ccccc1.Cl,0.4888648730119045
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.5943775510270514
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6467239548535467
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.5
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.8501453632049425
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9818995369622338
+O=NN1CCO[C@H](C1)O,0.8846441362152927
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.39292948622493057
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.842633924853367
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.16314072026547644
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.849292928862406
+NCCCCCCCCCCC(=O)O,0.15550913700240118
+NC(=O)Nc1nc2c([nH]1)cccc2,0.3914652589827909
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.8254001067006308
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.32154245654491864
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.3388743361824834
+O=C1NC(=O)NC(=O)C1(O)O,0.11959212074724358
+NCN,0.13509011486708603
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.7597951006921352
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.05950814725867175
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.2629405582270124
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.06719034579205731
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.7518789189169138
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.05861255887859972
+CCCCCC(=O)N,0.22339628557078095
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.34433490643603376
+[O-][N+](=O)c1c(N)cccc1O,0.6491965810123123
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.375137497490144
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.5442658918258315
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.10066738277275439
+N#Cc1ccc(cc1)[N+](=O)[O-],0.8249422680361004
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8937775900976913
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8965652809905617
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.8013924616382797
+CNc1ccc(cc1)/N=N/c1ccccc1,0.911459319333149
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.9081097987580076
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.1426210651906093
+O=NN(CC(=O)C)C[C@H](O)C,0.6960332227047065
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9513444028914277
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.2487848872162647
+CN(N=O)C[C@H](O)C,0.8886868777306081
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.6319952846571925
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.2020042478346024
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.7395447626854671
+Oc1ccc(c(c1)O)O,0.2686150484654246
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9735755558851084
+OC(=O)CCCC[C@H]1SSCC1,0.09810100266959237
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.9041696912219059
+Cc1cccc2c1nn[nH]2,0.7528437216874866
+CCc1cc(cc(c1N)CC)c1ccccc1,0.644994357067446
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.2377980444792052
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9347006575144979
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.4645414607846849
+CCCCOP(=O)(OCCCC)OCCCC,0.13736056293246832
+Nc1ccccc1.Cl,0.3282822551613666
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.07055115976486379
+CCCCCN(N=O)CCCCC,0.7664275988631787
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5731701981251366
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.6637186532504946
+NNCCO,0.41580621450022054
+c1cccs1,0.161636125076711
+C#CCOCC[n+]1ccccc1/C=N/O,0.3370171981127713
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.11870851677419858
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.23731035878902465
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.20651574574462614
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.862320046358637
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.783534580522219
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.07951772213085316
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.876172303769623
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.1344349523125061
+Cc1ccc(cc1)[C@H]1OC1,0.6504598966733856
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.39398805171186224
+NC(=O)c1ccccc1,0.23562856101821938
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.25651252592509594
+Nc1cccc(c1)O,0.11357368098591455
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.07307645368572808
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.48606477808675225
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6995099781416082
+CCN(C(=O)N)N=O,0.7920645337947937
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9842360854682164
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.6299693684036459
+COc1ccc(cc1)C=O,0.3360518730335141
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9165006999901976
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9662033302766625
+OO[C@@H]1CCCc2c1cccc2,0.46457793997687546
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.5478291409571621
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.17300660463160258
+CCCCCCC=O,0.24168634683714998
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.3684150225923651
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.20412342695819283
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.7452629373908296
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.8049378604456133
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.2145940309916925
+CCOC(=O)CCl,0.7467562267189848
+Clc1cc(Cl)cc(c1)Cl,0.06519258659154366
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6638126105485932
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.1560268229483999
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9822357037281855
+CCCCOC(=O)C=C,0.1829123813476926
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8507517707075044
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.7182702720028145
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.26140813442494804
+Cc1ccc(c2c1cccc2)C,0.6522485498343402
+OC1C=Cc2c(C1O)nccc2,0.20585739013572385
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.17163435826733975
+[O-][N+](=O)c1scc(c1)C(=O)N,0.8452450297846635
+BrCCCCCBr,0.38899808496517063
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.10946983330514191
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.3984955761563855
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.8327840456732835
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.07182409412670965
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.21720674734608772
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.5101106279268068
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.8794271625233531
+CCCCN(CCCCO)N=O,0.833774700210001
+OCC12OOC2(C)c2c(O1)cccc2,0.24745248989543336
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.4873868654731129
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.09661392770298788
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.864728056115152
+FC(C1=C(C=N[N]1)C(=O)O)F,0.24485426884730047
+CC12OC1C1CCCCC1c1c2cccc1,0.612402505646157
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.23230206973809367
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8802932977749608
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.09288899189470028
+NNC(=O)N,0.5414489337013784
+ClC/C=C\Cl,0.8096802570100101
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.07055115976486379
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.08167263507200553
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.5369962263448717
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.920137379318402
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.8638038342441224
+CCCCC#N,0.12778262255136494
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.1478788293023112
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.0781974459034731
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.9050111445687837
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.26575940656172026
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.45488988415240006
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.3770259508785076
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.8328764348210705
+Cc1cccc2c1cccc2,0.6609372770687649
+Clc1ccc(c(c1)Cl)O,0.19038116828960708
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.21038967320446028
+OCCCCN(N=O)CC,0.8796006174024817
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9094415422621285
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.8815050672672845
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.3205333012375364
+OC(=O)CCCCC(=O)O,0.12217299552314949
+CCCCCOc1ccc(cc1)N=O,0.6945530706980919
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.8185894404061318
+CC(=S)N,0.32295801398557794
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.10576275525241143
+Cc1ccc(c(c1)N)C,0.47669516747051893
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.3040606041728761
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.8365026208410774
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6743547250294756
+CC(=O)C,0.12511411040440684
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.6774034460115547
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.8056782727530418
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.8086674290528215
+CC(COC(=O)c1ccccc1N)C,0.24908100202789585
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.31054897099900264
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.7049557894197697
+CC(Br)C,0.1794583219892041
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9699601809223024
+N#CCCNCCC#N,0.3812981880661987
+OC(=O)C(=O)O,0.1690016686232677
+OCC([N+](=O)[O-])(CO)Br,0.6144258436027124
+CNC(=O)Oc1ccccc1OC(C)C,0.2015485498877438
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.6955559107092506
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.22601514170669618
+CC/C=C/C=O,0.4457543762186979
+[O-][N+](=O)c1ccccc1,0.7823608260949712
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7211016214546454
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9085423193526464
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.7775274801135371
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9482203683472502
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.17117047068216557
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.1307962388469909
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9598556016743591
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.7649595824530688
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.8928438197349751
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.397843339551507
+CN1CCC(=CC1)c1ccccc1,0.20069770669576764
+CCCCOc1ccc(cc1)N=O,0.6982760925694426
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.06988290591234111
+Clc1cccc(c1)C(=O)O,0.10707627529543637
+ClC(C(=O)C(Cl)Cl)Cl,0.8779437370140347
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.5436594202258682
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.1466992802824722
+CCCC(=O)OCC,0.18596469463697587
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.07271677989524615
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.14065423481258424
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.94728550575846
+BrCC(Br)(Br)Br,0.20051280615242068
+ONc1cnc2c(c1C)nc1n2cccc1C,0.8304592479013201
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.6776295562798255
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.15508924020959364
+C/C(=C\C=O)/Cl,0.45019316284469696
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.16537020330744595
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.8880301323222742
+SC(=N/C=C/N=C(S)S)S,0.4608085496617725
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8816836104877689
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.980950702351991
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9092006825957724
+N#CCc1ccccc1[N+](=O)[O-],0.7965265140350556
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.2299937727000343
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.6392372836481361
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07939306198344748
+CCCCCCOC(=O)C=C,0.1344363942827281
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.4440168308338251
+C[C@H](C(=O)N)Br,0.5973581610213782
+Clc1cc2ccccc2c2c1cccc2,0.7836106963161665
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.17391332337433596
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.1256275245291485
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.3339168190020367
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.8371861976725526
+COC(=O)CCC(=O)OC,0.22971563800816605
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.09474854983080348
+CC(=C)C(=O)OCC(C)(C)C,0.09013781478544648
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8740598213284324
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.07964414055697507
+Fc1cnc2c(c1)ccc1c2cccc1,0.8277407498133251
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.12069047779532223
+Cc1ccccc1N.Cl,0.5543866243801043
+Clc1ccc(cc1)C[C@@H]1OC1,0.6180633340888695
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.7206829323826759
+ClCC[N+](C)(C)C.[Cl-],0.28296369629009155
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.07621051694804801
+OC(=O)/C=C/Cl,0.5691914623006932
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9777331840964755
+CNCCCN1c2ccccc2CCc2c1cccc2,0.6083309835084819
+NCCNCCNCCNCCNCCN,0.5076572370356087
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7095120572441277
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.5454533232983758
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.5610803670535945
+O=C1C=CC(=O)C=C1,0.3100721319906552
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.6121200807713186
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.11110059807718624
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.8860504703141512
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9676778749636822
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.09657705467202843
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.11768477918670697
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.7232798222818871
+Nc1c2ccccc2cc2c1cccc2,0.8673795862879622
+C=Cc1ccc(cc1)[N+](=O)[O-],0.8026019348578889
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.07201620881116491
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.7760202652589775
+O=Nc1ccc(cc1)N(C)C,0.8565661176380157
+OC(=O)c1cc(Cl)cc(c1)Cl,0.10012360923672997
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.3737844803534892
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.9356147627321079
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.15967278798635262
+ClC[C@@H](CBr)Br,0.8944304985131714
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.0769001452932301
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.8451182233588903
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9671447250199364
+CC(Nc1nc(N)nc(n1)Cl)C,0.11251231585246116
+OC(=O)[C@H](O)C,0.1547343039141605
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.927768774403354
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.2732228857540188
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.8190567672718266
+C[C@H](COC(C)(C)C)O,0.1211782187819883
+CNC(=O)ONC(=O)C,0.5
+COc1c(N)cc(c(c1C)N)C,0.7772823255048308
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.5547662702721394
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.21727012389132108
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9471873550298318
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.051907849717305866
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9467683640677631
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.77983620727614
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9676000610662894
+COC(=O)c1ccccc1O,0.14812360874059033
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.9554411745231307
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9648398010160423
+CC(C#N)O,0.3281589397856145
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.7598061252851991
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6936621249310461
+CC(C(C)(C)C)OP(=O)(Cl)C,0.17993437967362863
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8703662770609445
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.8030199260812867
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.12018797279721494
+Cc1cc2cccnc2c(c1)C(=O)O,0.12097106164931924
+CCCOS(=O)(=O)C,0.2920190735797646
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9419132853028479
+ONc1cc(C)cc(c1)C,0.4276438266465122
+Cc1c(C)cccc1C,0.06602039638912433
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6375417360289934
+FC(C(F)(F)F)C(F)(F)F,0.1375614751473821
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.943449702368115
+O(Cc1ccccc1)CC1OC1,0.8237103215141215
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9789152978536175
+Oc1ccc2c(c1)cc[nH]2,0.29699431822637146
+COc1nncc2c1ccnc2,0.7748558923412161
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.21407590951048358
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.7513100926247454
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.5124913287788896
+O=C(C1(C)OC1)Nc1ccccc1,0.6113195567185769
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.8940208182911826
+Cc1ccccc1c1nc2c(o1)cccc2,0.44806183077444234
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.08194775807509987
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.6531576920857909
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.49256965795317353
+CC(=C)c1ccccc1,0.08403323068620713
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.7554552560306792
+c1ccc2c(n1)cnnc2,0.35516312019424406
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.706104192617636
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.391828722525909
+COc1ccccc1[N+](=O)[O-],0.6840859382577215
+OC(=O)COc1ccc(cc1C)Cl,0.14360964333902956
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8240153915517515
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.8186571539836839
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4367485070234132
+OC1C=CC=CC1O,0.17134969660245455
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9046072001264941
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8719990090698555
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.8075960572707033
+Fc1cccc2c1cccn2,0.3844315024967213
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8297256508391928
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.723063933974945
+Nc1nc2c(s1)ccc1c2cccn1,0.9514554527489535
+OCCCl,0.8381084009821451
+CCCCCCC1OC1,0.6522374443663247
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.16960415474773324
+NC(=O)N=NC(=O)N,0.4693049135339665
+c1scc(n1)c1nc2c([nH]1)cccc2,0.5070815050493397
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.13925930663659536
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.8529550366288302
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.05380127274698743
+CC(=O)OCc1ccco1,0.2692683724693916
+ClCC(Cl)Cl,0.5737658292963396
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.29035458217151794
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.36589694579329374
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9586818516904374
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.7002903261683193
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9228644827760456
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.5322192398335241
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.3725128163047309
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.23949100555039693
+CCOC(=O)CNC(=O)C(Br)(C)C,0.26568396752555895
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8574051422094364
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.37622470943577263
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.049870504140745835
+[O-][N+](=O)[CH-]CCC,0.8259934732458502
+O=NN(Cc1ccc(cc1)F)C,0.8468139036315251
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.08188417250521476
+O[C@@H]([C@H]1CO1)CO,0.604310724264235
+Clc1cccnc1,0.27910547436716615
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.15607529749270752
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.44071637672892905
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.1961011954014759
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.868268451873787
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.13190531512113515
+OCc1c2ccccc2c(c2c1cccc2)C,0.7995398779899022
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.16227337352927676
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.481862421475388
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9304966652687473
+C[C@H](CCl)O,0.7762041613553291
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5
+S=C1SSC2=NCCN12,0.6390639088759611
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.12272132618134705
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.9014816537724353
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.5600885744038991
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9752075829361886
+OC(=O)Cc1cccc2c1cccc2,0.20983460817908584
+CCOc1nc(N)nc(n1)N,0.203670211105828
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.838530305166382
+CCCCNc1snc2c1cccc2,0.4085507075726998
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.22145373278420766
+c1ccc2c(c1)c(OCC1CO1)ns2,0.8483115711622561
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.10393965772191896
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.3642185452005354
+O=C1C=C(C)C(=O)c2c1cccc2,0.5834551279782264
+COc1cc(CCC(=O)C)ccc1O,0.17362304052850258
+OC(=O)CCC(=O)O,0.08561878667855151
+COP(=O)(O)O,0.12929467865172486
+ONC(=O)c1ccccc1,0.27747669424476984
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.22363566294369802
+CC(=C)C=O,0.4369882886658139
+NC(=O)/N=N/C(=O)N,0.4693049135339665
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.8982092284542993
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9797637443660977
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.22289662831715823
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.834853122615562
+C1CCO1,0.3901947204585227
+CCCCN(CC(=O)CC)N=O,0.766590012362535
+CCc1cccc(c1N)C,0.5356296486343312
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.1122939292055409
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8087561591694127
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.3950924979641689
+CC1(C)C2CCC3(C1C2)CO3,0.21411284535366482
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.5794601167185671
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9689544184962451
+C[C@H](CCC(=O)c1cocc1)O,0.18946051486886129
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8706238170895505
+COP(=O)(N1CCOCC1)OC,0.38667069897281353
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.4921566896785039
+CCCCCCCC[C@H]1CO1,0.5905724514363084
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.3000504347127688
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.8630916390949894
+Oc1ccc2c(c1)cccc2,0.43051207179816636
+ClCc1c2ccccc2cc2c1cccc2,0.8716123300323348
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.6667770162359734
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.257386624241268
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.954115695252087
+N/N=c/1\sc2c(n1C)cccc2,0.8482891641651727
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.6226258333278305
+ClC(C(Cl)Cl)Cl,0.5148520962316565
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.3077150096485616
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.19223025441947783
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.7685170325165875
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.8773285152017365
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.10905456668494368
+ClC[C@@H](CBr)Cl,0.9009159197280047
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.24592091893161927
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.27145714332972354
+Brc1ccccc1c1ccccc1,0.393833181781423
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.09718685633809454
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.4760820315053582
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.1943908113188549
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.11415606704273487
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7733263242999671
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.10207984211303799
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7723155014023939
+CCCCN(CCC(=O)O)N=O,0.6674151825321124
+Br[C@@H](C=O)CBr,0.936483224960619
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7779120093623189
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.2431467107878373
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8396168504230624
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.8873014291257424
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.9160091507512379
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.37386301316306636
+ClCc1cccc(c1)[N+](=O)[O-],0.8973549155357725
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9815628608912095
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.09847175302395576
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.06000466726217575
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7075166244092413
+CCCCCC(=O)OCC,0.20610791235827045
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.5642657427021374
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9258330489388747
+CC(=C)C(=O)O,0.08987019597230209
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.628378101965152
+CN(CCOC(=O)C(=C)C)C,0.3572271699239017
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.1693515568156052
+ClCCN([P@](=O)(O)N)CCCl,0.6964415532174051
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.16939358736366
+Cc1ccc(cc1)C(N)C,0.5205490543972247
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.18748025469716809
+O=NN1CCSCC1,0.8892554819767587
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.28507501994350287
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.13525712400312925
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.16938817425635586
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.3675760473580924
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.33251326494465844
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.8831242722377964
+O1Cc2c(C1)cccc2,0.28184026846798665
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.7707783430304022
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.09817998070136966
+NC(C(=O)NCC(=O)O)CS,0.5078760908128074
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.24491966112634359
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.8800689561954265
+CN(C[C@@H](Cl)C)C,0.5055498142323365
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.07312705290470037
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.27055354243254176
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9690484806135451
+CCOP(=S)(OCC(C)C)SCCl,0.4311292215243582
+NCCS,0.4655634966966282
+Oc1ccc(cc1)c1ccccc1,0.4629464119567736
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.5783939137432292
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8195332377715607
+O=C1c2ccccc2C(=O)c2c1cccc2,0.6534397578369762
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.6534126211924536
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5
+OCCCNC(=O)C(C(CO)(C)C)O,0.25462489246023057
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.5211707148673534
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9668372587328471
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.8390818079704935
+Oc1ccc(c(c1)O)C(=O)O,0.12385702622826571
+NC(=O)c1cnccn1,0.1449831447997023
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.19623185491380096
+N#N=NC(c1ccccc1)c1ccccc1,0.7899131673075522
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.2852853778498607
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.23749915193076993
+CCCCN=NC(OO)(C)C,0.8358512838337963
+CN(c1ccc(cc1)N)C,0.7190395387861641
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7145627071317766
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.13839304041224132
+C=COc1ccc(cc1)[N+](=O)[O-],0.7920366937811942
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.19985008003353041
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.6990365193353097
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.4568197620737381
+O=NN1CC[C@H](C1)O,0.931824025126707
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.25737194199970836
+O=NN(Cc1cccc(c1)OC)C,0.8980122613094864
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8584498386946772
+NCCC#N,0.29243200304170575
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.7627895194793125
+[O-][N+](=O)c1cccc(c1N)O,0.8808772773695195
+N#CSCSC#N,0.3506825876686509
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.30621970723813274
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.47675669491162825
+ON(c1ccc(cc1)Cl)C(=O)C,0.5113137717679908
+CC/C=C/C,0.14821608255916613
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.983216147679411
+ClC(C(C(F)(F)F)(F)F)Cl,0.34667168431496154
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.8282420404500241
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.9293278494903774
+CCCCOCCOCCO,0.17864639944407257
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8514317523457031
+CC(OC[C@@H]1OC1)(C)C,0.6374478787023379
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.26316426075960636
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.16944644216048035
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.5744912993234994
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.07086932230086963
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.26548781375700453
+Nc1ncn[nH]1,0.14767271881741595
+[O-][N+](=O)c1ccc(c(c1)C)C,0.7484076592958809
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.7569686852055593
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.45398101130220503
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9470784196044428
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9353123759099344
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.12076106018572147
+O=C/C=C\c1ccccc1,0.41792156888880466
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6464437251543683
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8643374510260076
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8430639405576551
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.8842640919383473
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.24353001470787286
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.33403116638330216
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.15787880334902504
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.19397278713196925
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.9503706926745472
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.2954055954922073
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9605692207686618
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.13007684656763163
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.39563827589413214
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.9622396231778826
+CCCCCCCCCCCCOC[C@@H]1OC1,0.6977253483333564
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.08198848231329434
+CCSCSP(=S)(OCC)OCC,0.22747599274394092
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8742539643737721
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.2027869722992527
+COc1cc(C=O)ccc1OC,0.3562302009195198
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9240013574891277
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6460584118550678
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9161003448807271
+OC(=O)COc1ccc(cc1Cl)Cl,0.16937283569895853
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.603269606595589
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.13326631569131314
+CCNN=NCC,0.7705460190530707
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.04829377095989186
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.43477085392068954
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9646360355546603
+BrC[C@H]1CO1,0.9738863693635867
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2459528609376177
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.41978110399067836
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.6775263538586542
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.1269118501751782
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.09493067053563344
+CCC(CC(CC(Cl)C)Cl)Cl,0.20270763780379664
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.8705937180876494
+Cn1c(N)nc2c1cccc2,0.6570166698579177
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.17499785084452896
+CCCCCC(=O)OCC=C,0.1920479633526811
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.515841152544149
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.816087795803511
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.6000110363218958
+SCCc1cnccn1,0.17958781692568107
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.9422133465060689
+OC(=O)CP(=O)(O)C,0.06382050044282724
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.10063542155796909
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.4444188825633852
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.0707411287830321
+C=CN=Nc1ccccc1,0.6663441226417874
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.43199593589572843
+O=CCC(CCC=C(C)C)C,0.15040887492701496
+Fc1ccc2c(c1F)nccc2,0.4291803614317176
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8482379995616425
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.4811867849083626
+OCCOc1ccccc1,0.29077006197229155
+ONc1ccc(cc1)/N=N/c1ccccc1,0.8482341865834975
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8501624847674135
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.7214932185822571
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.10617937365668736
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.1377325333330457
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.6073735008211291
+O=Nc1cccc(c1)C,0.7499214788281204
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.8398087666944165
+C/C=C/c1ccc2c(c1)OCO2,0.5
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.08920045291344929
+O=Cc1cccc(c1)Cl,0.34033712921934156
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.2893621326489408
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9893963929727796
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.09705126887694984
+OC(=O)c1cccc(c1)C(F)(F)F,0.07551138825872306
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.928163618550016
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9228644827760456
+[O-][N+](=O)c1ccccc1C,0.8111757527864265
+C=CC(=O)OCCN(C)C,0.30673064985130477
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.8702621196224597
+NC(=O)CI,0.7068128287631028
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.195840491602343
+COc1ccc(cc1)N=O,0.8275600460291294
+CCCSSCC=C,0.1741822449029328
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9446426369966257
+Nc1ccccc1Cl,0.5628059698222453
+COc1ccc(cc1)C1OC1C,0.7287985565019075
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.1137523696906087
+Fc1cc(F)c2c(c1)nccc2,0.2904242085558073
+CCCCCCCCOC(=O)C(=C)C,0.1100196776554867
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9276373074201437
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8953151722527737
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8559742935468078
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.8679701891303748
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.5963798806821016
+ONC(=O)CNC(=O)c1ccccc1,0.4587096141560453
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.8888526162508446
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.848382811063103
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9124714008837665
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.36509796308243175
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.15747258511587497
+OC(=O)CNCP(=O)(O)O,0.20357358853558638
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.837600080332725
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.9533825057982845
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.8970618784931913
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.11113858924513836
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9636526364364176
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.8713186370190139
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.8001560200873015
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.8327502248232429
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.754252482772411
+CN1CCC[C@@H]1c1cccnc1,0.16502080260127305
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.6165938489621853
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.23421117380011494
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9684735790489815
+Oc1ncc(cc1N)c1ccncc1,0.5255829407948571
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.908413101420267
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.636747271006482
+CCc1ccco1,0.34474387156314873
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.16271029021051053
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.11677564420052632
+CNC(=O)ON,0.5272004116833497
+C/C=C/C=C/C(=O)O.[K+],0.17279152126261568
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.11620618910451612
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.1349773886410495
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.1069090834666628
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.5
+O=NN(CC(=O)C)COC(=O)C,0.8502391434931558
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.954000329651546
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9436790845190927
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.07577801450178082
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.43551861441049317
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.804942764328466
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.15549995545885897
+OC(=O)c1c(N)cccc1N,0.1960064482955539
+CC(=O)OC(=O)C,0.16518762946387802
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.08664255022366296
+c1ccc2c(c1)cncc2,0.37013104614233017
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.8039391774898459
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.9042895995111667
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8110304658365919
+CC(OC[C@@H]1OC1)C,0.7052946230537482
+C[C@@H]1CC[C@H](CC1)C(C)C,0.05070453676519329
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8375835826713001
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.16132959495298532
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.8811446389129786
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.8616817208884953
+CNC(=O)NC,0.21576370442159665
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.9061985138327951
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.816168848065277
+ClCc1ccc(cc1)[N+](=O)[O-],0.8910655853315564
+OC(=O)c1cc(O)c2c(n1)cccc2,0.4541133562639656
+C/C=C\c1ccc(c(c1)OC)O,0.4082609160257055
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.15345027767574373
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.07585067408942081
+OCC(CO)(CO)CO,0.12726144952788418
+OOC(N=NC)(C)C,0.814655414915174
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.5211707148673534
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.09918165863041195
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.2157508385087381
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.47143550138201507
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.6730228916790952
+C=C[C@@](CCC=C(C)C)(O)C,0.07115072629399023
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8752735869735162
+N#Cc1ccc(cc1)C1(C)OC1,0.7851376459924599
+BrCC(=O)Nc1ccc(cc1)C,0.32189809397257857
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.3521595409102844
+OC1COC(=C(C1=O)O)C,0.1462704769013164
+ClCc1ccc(cc1)OC,0.48891453755335973
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.6790660826681303
+O=C/C=C/C=O,0.42750689450033913
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.09782963674718692
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.6875876434578632
+CCc1ccccc1[N+](=O)[O-],0.7634275402677013
+Oc1ccc(nn1)O,0.21593508692807994
+ONc1ccc2-c3c(Cc2c1)cccc3,0.8515285419577032
+CCCCC=C,0.06294521522809275
+Brc1cccc(c1)[N+](=O)[O-],0.7276264466377221
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9513348952041842
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.8345973821332697
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.14551360338113523
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.11880801813001417
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8365548764166368
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.7078027254508745
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.31245743911873824
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.23252777905691496
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.953670182288524
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.8747151984678474
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.859628104860292
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.0775970072925041
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.8712848029856048
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.9019478077998124
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.1694092971698522
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.04417395958415271
+O=C(c1ccccc1)C(=O)C,0.33843843275617086
+CC1CS1,0.5377241374336941
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.7217547852713884
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.0569871068367831
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.24940836629902982
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.4552433596161122
+N#Cc1cccc(c1)[N+](=O)[O-],0.8154548884940528
+NCc1cccc(c1)CN,0.48312691925015955
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.22339594197046317
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9816362823225593
+Oc1ccccc1,0.09449125120760234
+ClCC=C,0.8162598581289242
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.16241070654799308
+Oc1cccc(c1)O,0.07837037153137193
+Cc1cc(N)cc(c1)N,0.38157081219935485
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.7598061252851991
+Oc1cccc(c1C)O,0.1839782015044046
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6771715523682688
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9341158509087082
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.6381071596857905
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.07913600221331779
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.18363150954805402
+CNc1ccc(cc1)[N+](=O)[O-],0.8969043935937254
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.10888659865727929
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.7411343829096376
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.94092772540187
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9530562673055047
+COc1cc(ccc1O)C[C@H]1CO1,0.6465199755701838
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.9306704711745092
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.5591328678348256
+OCC12OOC2(CO)Oc2c1cccc2,0.31658521032054104
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.17454929901634125
+c1ccc2c(c1)ccc1c2nccc1,0.8823604481643146
+CSCNc1ccccc1OC,0.5
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.20049068382301544
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.16936066842680472
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.830838498691986
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.450465834411559
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9790520497183542
+N#CC1=C(SCCS1)C#N,0.12543386234409865
+Cc1ccccc1C,0.06704465086868898
+Oc1[nH]cnc2-c1cnn2,0.09726073046932915
+O=NN1CCOC(C1)O,0.8513209903529632
+CC(c1ccc(nc1)C(F)(F)F)O,0.06112950541348318
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.2486954567515526
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8392160364688374
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9842068991300799
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.03560303694667005
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.8571043466142276
+CCNc1ccccc1,0.27613751048998425
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.2908974602130146
+CCCOC(=O)c1ccc(cc1)O,0.12202811213640485
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.25106297384666704
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.8080330007735945
+COc1nncc2c1cncc2,0.6974948077806926
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8811944269458444
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.28341014938117726
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.9043566637046186
+CC(=O)C=C,0.18162401919238755
+CC(=O)C(=O)C,0.20697452081787635
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.2032061386992388
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.36210602840775
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.1346683559117211
+OCCNC(=O)C(O)C,0.3094042579175376
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.962443934181106
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.8381584291657481
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.0900352679606095
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.04573079606482603
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.5224595317557842
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.4021035283080731
+C1CCC(CC1)NC1CCCCC1,0.15556272553917214
+CCCC[C@H](CO)CC,0.0827788895687853
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9126356003945817
+ONc1cccc2c1cccc2,0.7663590191444001
+CCCCCC,0.06678133302462835
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.3579861122355785
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.11416025014168728
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.11324223759363196
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.16937283569895853
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9701909177282179
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8965483189859242
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.9085991837395533
+N1CCNCC1,0.09150765797171086
+OC(=O)c1ccccc1S(=O)(=O)N,0.1331977052795997
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9788752947174051
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9167747265102243
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9688929324578288
+OCC[C@H](CCC=C(C)C)C,0.11481228657376849
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8892720315575239
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.22405224856479575
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.5769940029970038
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.33843960019844865
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8883466290900824
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.16820579227321383
+OCC(C(C(C1SCCN1N=O)O)O)O,0.6043837191223763
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.36984876473827605
+OCCOCC,0.15676034588946683
+CCN(c1ccccc1)Cc1ccccc1,0.41815093938480363
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.10395968136935381
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.1712739368697238
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.21402451968710878
+ClCC(F)(F)F,0.16112475011440194
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.29880002242684245
+O=CN(c1ccc2c(c1)cccc2)O,0.8820678618506896
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.11804458290987137
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.27201860930351
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.8115918860152016
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.5
+OC(CO)CN=N#N,0.8580539435748148
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.8575557535520842
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8319910524628041
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.912378730490585
+NNc1nncc2c1cccc2,0.88427124890763
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9214424285912505
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.0844228628640932
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.8303582318115553
+Nc1ccc2c(c1)s[nH]c2=O,0.4388900664258465
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.33486915104115395
+NC(C(=O)O)CSC(=O)NCCCl,0.6655037668392538
+BrC[C@H](c1ccccc1)Br,0.3849118250174093
+CC(CC(=O)C)C,0.1177751348556409
+CCC1OC1c1ccccc1,0.6648883614862219
+CCCCOCC(=O)O,0.1487363904157195
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.05898074209222096
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8487617830508997
+CCCC(=O)O,0.12318736963643237
+COc1ccc(cc1)C[C@@H]1OC1,0.7498061916233983
+BrCC(CBr)Br,0.6452142228650876
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.8522707328233584
+CC1=Nc2c(C1(C)C)cccc2,0.3151275560737255
+C=CCN=C=S,0.6260998962369921
+CCCCN(CC[C@H](O)C)N=O,0.7410548967323295
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.83494699388136
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.27226990135818246
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.10063542155796909
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.7564320815532461
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.08525888050643429
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9698925114537118
+CC(=C)C(=O)OCCO,0.22473560208410312
+N#CCC[C@](C#N)(CBr)Br,0.5442772602503599
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.24365804323915194
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.031052450851137333
+O=Cc1c(Cl)cccc1Cl,0.21972509377527402
+Cc1ccc(cc1)N(C)C,0.5
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9149157638961697
+CCCCCCCCCCCCOS(=O)(=O)O,0.1267663810267866
+O=C/C=C(\CCC=C(C)C)/C,0.17270874397968264
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.8766231868771772
+ClC[C@H]1CO1,0.9770497958641239
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9679025104942167
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.1942241597920632
+[O-][N+](=O)C(C(O)C)C,0.6903646530708265
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9581638581779041
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7262375286663929
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.9008622774639875
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9588640506144691
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.38734191897627784
+BrCCCBr,0.5797419836078471
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.029870521517687463
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.28188826145021817
+c1ccc2c(c1)nccn2,0.5
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.12067167067494472
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.356801324773677
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.24290056393741535
+Nc1cccc2c1cc1ccccc1n2,0.9340328853042017
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.16940966513225175
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.6502437641859381
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.29880002242684245
+O=NN(C(=O)O/N=C(\SC)/C)C,0.8375019441974967
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.859413634429317
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.40870743791531416
+CCN(c1ccc(c(c1)O)N=O)CC,0.8281805615388639
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.2358060580466704
+ClCc1ccccn1,0.38855812387407074
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.6835417220367735
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9644482874278246
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9673644746109162
+O=CC[C@H](CCC=C(C)C)C,0.15040887492701496
+CCCCN(CCC(=O)OC)N=O,0.822961683077212
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.800445768794861
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.19779104983954546
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8852543968095207
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8947404371199608
+CCC(CO)(CO)CO,0.1033086598932322
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6080780541855803
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.7982461853591934
+OC(=O)c1cc(O)c(c(c1)O)O,0.24625654617401357
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.8801117045474138
+Cc1ccc(cc1)CC[C@@H]1OC1,0.6970354833139255
+OS(=O)(=O)c1ccccc1,0.04852091137191044
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.8733413326015564
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.5807107048930525
+CC(CN1CC(OC1=O)C)O,0.39530465314665464
+COC(=O)C(CSCCCl)N,0.756352598856147
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9728078212579957
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8806437271573171
+COc1cc(ccc1OC)CC1CO1,0.6724121797517629
+Cc1ccnc2c1cccc2,0.4744414792575439
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.7026707336691518
+CCCCN(CCO)N=O,0.8482779482124402
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.11754971829041186
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.2001467140900492
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.19943329426942658
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.6359791449197478
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9650744941150698
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.09608741955630995
+OCc1ccc(cc1N)[N+](=O)[O-],0.9238497164030084
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.5804554152841219
+NNc1ccccc1.Cl,0.7689217641904524
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.5251663394584535
+COC(=O)C(=C)Cl,0.3780155786737079
+CC(=C)C(=O)OC[C@H]1CO1,0.6452206416397148
+CC(Nc1ccccc1)C,0.1335328392272283
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.08645834111437714
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.4034700129569007
+BrCC(=O)c1cccc(c1)OC,0.47687913908067525
+CCN(C(=N)N[N+](=O)[O-])N=O,0.9043585135853722
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.05734709559784416
+CC(=O)CC(=O)C,0.12214197642108374
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.3711338475952173
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.1790401282239405
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.07312357287206703
+Cc1cc(C)c(c(c1)C)N,0.5767307821794566
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.13559401067143406
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.16052834563653878
+CCCCOC(=O)c1ccc(cc1)N,0.34552776275640124
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.20654598647698877
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.6890208963455803
+Cc1ccc(c(c1)C)N,0.5445829704069827
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8401770688855154
+C/C=C/c1ccc(cc1OC)OC,0.4919110321215243
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.7668766783974929
+Nc1ccc(cc1)S(=O)(=O)N,0.2764839734844316
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.04865564391392727
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.834853122615562
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.1405912266645042
+COC1OC1(C)C,0.6624984502432545
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7551869673453557
+ICC[C@@H]1OC[C@H](O1)CO,0.4934106207366665
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.10948477479776111
+c1ccc2c(c1)cccc2,0.5199531451760193
+[O-][N+](=O)NC(=N)NC,0.48822426671113633
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.12485582817497146
+Fc1ccnc2c1cccc2,0.37342300442519605
+CN(C(=O)Cl)C,0.6537630142411965
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.7602871299443439
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.5650694848909543
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9081852894249637
+c1ccc2c(c1)oc1c2cccc1,0.6930188699216575
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6003720246020195
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.27575420790764343
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.19004462316186435
+Oc1ccc2c(c1N)cccc2.Cl,0.7423672291057712
+C1C2SCC=CN2C1=O,0.2036723798127542
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.9077900956868175
+CC(C(=O)Nc1ccccc1)Br,0.4442515306261967
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9596091949322973
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7697752999095863
+CCCCOC(=O)CCC,0.15486034298899579
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.38391081994124754
+c1ccc2c(n1)C1OC1C1C2O1,0.5288430889554987
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.09253944705139923
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.7471506600384722
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.9505381381701438
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.9065108309654543
+CCOC(=O)NNc1nncc2c1cccc2,0.6225170627956009
+CC(=O)C(=C)C,0.13093984712438367
+COCCOC(=O)C,0.27683710859714666
+COc1ccc2c(c1)sc(n2)N,0.9070113093808609
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.8795904877695113
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.2604583985240988
+c1ccc2-c3c(Cc2c1)cccc3,0.5250838098500208
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.7059222895440466
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.23265968630864214
+COc1c2cc(OC)ccc2nc2c1cco2,0.8489488220936058
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8603233404220141
+BrCCCCBr,0.5
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.8260037428111637
+CNc1ccc2c(c1N)nc(cn2)C,0.905220860955657
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4567813090752424
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.33632333919025714
+c1ccc2c(n1)c1ncccc1cc2,0.8017716743253476
+c1ccc2c(c1)scn2,0.4476180495938758
+OC(=O)c1ccccc1O.[Na+],0.05872755265796911
+CCCCCC[C@@H]1OC1,0.6522374443663247
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8684695637208797
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.16721008764498582
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8608388766418368
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.39016850256471786
+CCCC[C@H](COC[C@H]1CO1)CC,0.6455006427850135
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.03474058772563397
+BrCC(c1ccccc1)Br,0.3849118250174093
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.4231534826578242
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.09603474009711568
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.4503396731829023
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.7127176697839693
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.14972570029858653
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.4195228320686816
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.03121779155350371
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3076742678113821
+NC(=N)NC#N,0.17791508183789354
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.17285686461133568
+CC(=O)c1ccc[nH]1,0.3869046181491239
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.28787466108353155
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.18360110796544812
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.8819090239591848
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8856086968524013
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.8068477046187873
+[O-][N+](=O)OOC(=O)C,0.8307810636379325
+Cc1ccc(c(c1)C)C,0.07588986442634066
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.7011272899312031
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8872749396016063
+COC(=O)CC(=O)OC,0.13413071073525082
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.1055010938832832
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.8945002928206974
+Oc1cc(=O)[nH]c(n1)N,0.19708344793108165
+CC(=O)C1(CCNCC1)c1ccccc1,0.09024068093099397
+FC(C(F)(F)F)(Cl)F,0.09001083382234308
+OC(C(F)(F)F)C(F)(F)F,0.08857927015771344
+OCC(CO)O,0.2956269509897184
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.08443526742402033
+O=C(n1cncc1)n1cncc1,0.3754196878380797
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.03014009933497504
+CCNS(=O)(=O)c1ccccc1C,0.18109840033554273
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.6770432053965871
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.33055473882136766
+CCCCCCCCCCOC(=O)C(=C)C,0.09329482742004198
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.8655220492068061
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.0986525231343293
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.21385166396612634
+Nc1cc2cccc3c2c2c1cccc2cc3,0.9629672855377652
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.29290446665357506
+COc1nsc2c1ccc(c2)N,0.9044332792654178
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7621757816610704
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.6100292340502583
+CCCCCOC(=O)C(=C)C,0.1973079343954819
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8814171309666693
+COc1nsc2c1cc(N)cc2,0.8569557532743534
+C/N=N/O.[K+],0.6471879034861966
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8709610013629802
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.7932844520055246
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.978759574041746
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.8224212417328274
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.38785686606933417
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.29955146098705066
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.3197648129547385
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.8868292672654434
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.2189408690503066
+C=CCc1ccccc1OCC(CNC(C)C)O,0.16936619201492567
+O=C/C(=C\c1ccccc1)/C,0.34630586154505233
+CC(=O)NO,0.23132241222461974
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9343073131022807
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.8281805615388639
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9235841531678426
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9215387597135901
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.315700606294593
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9627465062633298
+BrCC(C)(C)C,0.3806695533622465
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.41378129389209534
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.8176644267198885
+Nc1cc2ccccc2c2c1cccc2,0.8898388351024454
+ClCCOP(=O)(OCCCl)OCCCl,0.6164236578227682
+C=CC(=O)NCCCN(C)C,0.18802050944403653
+CC1(OC1)c1ccc(cc1)Cl,0.31398662523250065
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.1387155857809899
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.10620848081003624
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.1574962446117299
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9098255373425003
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8333930843400027
+Cc1c(N)c(C)c(c(c1C)N)C,0.5163318556046826
+OOC(C)(C)C,0.31971213127626263
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.12106591812404832
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.5717278754096448
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.3149236308929344
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.07260579265948482
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.38044023221705897
+Oc1ccc2c(c1N)cccc2,0.7015640282925709
+CNC(=O)CSP(=S)(OC)OC,0.22026895688980605
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.39870783883066785
+O=C1NC(=O)C(=C1Cl)Cl,0.4686122370432743
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.799709751416692
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.8007372079420301
+CNP(=O)(N(C)C)N(C)C,0.26443952197996734
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.8480361324179679
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.9393680495685726
+OCCN1CCNCC1,0.08891251443342833
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.11091621473091304
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.05505036434861202
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.81376565959485
+FC(c1ccc(cc1)Cl)(F)F,0.10948130851735478
+[O-][N+](=O)c1ccc2c(c1)csn2,0.8648042121190175
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.6442534106137277
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.6494803513868692
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.808828594643558
+COC(=O)CCl,0.75198991028612
+NS(=O)(=O)c1cccc2c1nccc2,0.2411842593981197
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8853991322678781
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.8347323751472149
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.1987012527936329
+OC1CCN(CC1)N=O,0.7899440009613284
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9321821221538458
+OC(=O)c1ccc(cc1)C(=O)O,0.11621112282213614
+Nc1ccc2c(c1)cns2,0.7221611877160213
+CCCN(CCC)CCC,0.18462806643616048
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.6866691696089583
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.20061850196672262
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.12684356516725004
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.5472468707474071
+C[n+]1cccc(c1)OC(=O)N(C)C,0.16434396963113265
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9012175501102114
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.5877210730372248
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.5589191203069537
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.11760235452094618
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.960401851903564
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8998090379844526
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.8190649579210273
+CN(C(=N)N(C)C)C,0.39069007698360936
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.6505425014459647
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.6777755418562664
+Oc1cc2nnsc2c(c1)C(=O)O,0.32912821978536805
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.4742960003528368
+BrCCOC(=O)C=C,0.6138399416493749
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.38759773267713454
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.23313711045740235
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9815322222517777
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.14684361544659114
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7039189399918314
+ClCC(=C)Cl,0.7722118133469209
+C[C@]1(OC1)c1ccccc1,0.5
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.25267620606287794
+CCSC(=O)N1CCCCCC1,0.4245829751163418
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.8718526203587871
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.8672049270903226
+CC(=O)OO,0.462055866607748
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.8108917233731526
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.47464373980591473
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.672704159201684
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.0399387250912221
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.17402253857763486
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.4931139939591776
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.3016135788435691
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.22427596151233198
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.08772730035034378
+O/N=C/c1ccncc1,0.28766887713698225
+CCNCC,0.1650195235400227
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9442298774200734
+Oc1cnnc(n1)O,0.06394671403242651
+COP(=O)(OC)O,0.1706790695586639
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.1458074730199724
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.18507537171936767
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.934235029572591
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.08674945788189943
+CCN(CC)CC,0.2196043176779726
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.0756552786371782
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.2112339557220376
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.9043531426067005
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.09989229402969947
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.18498512727893762
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.958881917431834
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9014794212861189
+CC(CCON=O)C,0.6901466658092138
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.4471964452098899
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.6903941601223564
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.9224703184144522
+Cc1nccnc1C,0.12475652185155811
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.045073911188144904
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.06932485649439263
+O=NN(C(=N)N[N+](=O)[O-])C,0.8402026485584632
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.13694981722809543
+Fc1cc2cccnc2c2c1cccn2,0.6142418151037854
+OCCN(C)C,0.16303898448323376
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1143693928615995
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6247028224982215
+ClCc1ccc(cc1)F,0.3126954543612084
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.12957236712890455
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.5938214621757542
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.25267620606287794
+OC(=O)C(F)(F)F,0.17504571200563815
+NCP(=O)(O)O,0.14500170184703282
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.2226147743197159
+[O-][N+](=O)[C@@H](CO)C,0.701065295245865
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.8443313432482611
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.05632161096290394
+CC([N+](=O)[O-])(Cl)Cl,0.8824517196072297
+CCC#N,0.3293520960225906
+OC1OC(=O)C(=C1Cl)Cl,0.5678654222624541
+O=S1(=O)CC=CC1,0.47588580473927866
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9826024616664116
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.027269119725319594
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.922929912823181
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.4109284646287969
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.29461988460427374
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.16227824543541394
+CCCCCCCCCCCCCC=C,0.05066000275941121
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.6700741172397855
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7883948282590142
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7195904260104304
+BrC1=C(Br)C(=O)OC1,0.7356821211088592
+Nc1nc(N)nc(n1)N,0.17732295013156868
+Nc1ccccc1SCCSc1ccccc1N,0.5690091731876283
+[O-][N+](=O)c1cccc(c1C)N,0.90756507206577
+Oc1ccc(cc1)O,0.1540855116225008
+COS(=O)(=O)C,0.22681801429112297
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.729592372178416
+c1cnc2c(c1)C1OC1CC2,0.5883586866732919
+OC1OC(=O)C=C1CCl,0.6158308444468227
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.2897734946179262
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.11031720986335894
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.81963630911871
+CSCCC(C(=O)O)N,0.18748556028929794
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.16448154133585027
+O=C1C=C(C)C(=O)C(=C1)C,0.29430425826143275
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.867402668968034
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8073097686639289
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.7903258400371659
+NCCNCCO,0.3652520818812403
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8024697188490878
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6532283874397691
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.09512888082005969
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.9219707226766687
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.9096043823903579
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.8334307757329976
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.567254921045819
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.8045839082074229
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8529872097827358
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.21575669955971194
+Fc1cccc(n1)F,0.05991052932949609
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9648016829429766
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.8267288694846753
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.54255918050702
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.21258588213083127
+Oc1ccccc1c1ccccc1O,0.3342663024200732
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.391443609282602
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9664203435507736
+COC=C,0.24468550083341942
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.7030041325390822
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.15409205228926387
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.40132161769492003
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9016470275293104
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.7770966689484223
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.8696666717405777
+CN(N=O)C[C@@H](CO)O,0.7570191280400762
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.6587933823087742
+c1ccc(cc1)Nc1cccc2c1cccc2,0.717042394977652
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9323840615918675
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.1889903421936626
+OCC(C)C,0.19622521345067986
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.17426838732360359
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.20174549042266632
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9640022765979005
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.7596072291210627
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9553212894142161
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.029618538894406344
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.11227788770755721
+Nc1cn[nH]c(=O)c1Cl,0.6561208102718645
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.458501148555845
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.7588714866761318
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9692902285767824
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8715009144603219
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.898935322992865
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9836331508364714
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.7986961123351678
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.5833559221788728
+COCCOCCOCCOC,0.18380326436068659
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7672741394195113
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.0893159167117441
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.19937553631014174
+NC(=O)[C@H]1CO1,0.8306597487215488
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.8509300531202729
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.17300525634119815
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.8718067921170459
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.5
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9693987197509226
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.1540039841813135
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.10750091673617297
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.7830369196917809
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9597569189719984
+Sc1ncc(c(n1)O)C,0.08241411577173835
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.13505927499152398
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.6137009465573183
+OC(=O)[C@H](Br)Cl,0.85467334787852
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.46907188674214356
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.842728666209763
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.21449369899227141
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9695206825115079
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.4510574030248256
+[O-][n+]1ncc2c(c1)ccnc2,0.5672534230977838
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.9585373094518818
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.2436323458889298
+Cn1c(N)nc2c1cc1ncccc1n2,0.8881789849642794
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8445394916710337
+Nc1sc2c(n1)c(C)ccc2,0.8462216314384805
+Cc1ccc(cc1)N=NN(C)C,0.8592810430781888
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.34282439680402965
+CC(C(=O)NCc1ccccc1)Br,0.4278278654697979
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.7937352591619885
+COc1ccc(cc1)CC1OC1,0.7615281675896971
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9702990366755787
+CC([N+](=O)[O-])(C)C,0.7536697758683122
+OC(=O)CC(=O)O,0.06289614650086028
+O=NN1CCCC1,0.9148582340596816
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.07471262567299283
+COc1ccc(cc1N)NOS(=O)(=O)O,0.388785403208403
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.13751757336804107
+Nc1cccc(c1)c1ccccc1,0.7141327682838935
+CCOC(=O)CC(=O)CCl,0.42771964988004263
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.2285645600458536
+CCCON=O,0.9145205029035324
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.4697949222813065
+OCc1c(N)cccc1[N+](=O)[O-],0.8757453428844302
+CCN(N=O)C=O,0.9205283923950246
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5790766368405806
+C[C@@]1(CO1)C=C,0.5150763049978927
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.9769331360419147
+Cc1cccc(c1)C(=O)O,0.11617414211081956
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.8052315137941821
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9182294501601157
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9397507081059623
+C=CC(=O)OC[C@H]1CO1,0.741902556870926
+CC(Cc1ccc(cc1)C(=O)C)C,0.10922080467147818
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.22047729528036547
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.18141135373870335
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.856550051449828
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.03787035345507277
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8693116623345432
+CCC(=O)NCc1ccccc1,0.1850881717353346
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.17446646462101792
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.8917280932889996
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.04482671801448069
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.9135237045020137
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.1439652650392129
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.5458829754359453
+C=C1CCC2CC1C2(C)C,0.016485526660786003
+C[C@H]1CC(=O)O1,0.16816882601161362
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.23461315641022776
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.26045818190954384
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.22652122414256318
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.7047761356682083
+CC1=CC[C@H](CC1)C(O)(C)C,0.05436746806230957
+CCc1ccc(cc1)[N+](=O)[O-],0.8740580406155263
+Clc1nncc2c1ccnc2,0.5702507531757763
+O=Nc1ccccc1c1ccccc1,0.8382001429720408
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8822157391939838
+CC(C(CBr)Br)Cl,0.7253967579307937
+CCOc1ccccc1OCC1CNCCO1,0.21894051609855456
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.14366300309899138
+COc1nncc2c1nccc2,0.7084531095619243
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.17165391616827563
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.224533123041328
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.25174074676176644
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.6788907710041582
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.7540559450138158
+COCOC,0.44919141850396743
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.4087682337923427
+C[C@@H](c1ccccc1)N(C)C,0.2254684823357945
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.1570104160685796
+CCN(c1cccc(c1)O)CC,0.20307452196105436
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.21928564379317142
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.360080071595943
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.8810924564833047
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.4116388597139933
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9793448537874474
+O=C1C=CC(=O)C=C1c1ccccc1,0.5491087743693306
+OC(=O)CN(CC(=O)O)CC(=O)O,0.16434099204697702
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.8697991068651036
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9359806638551655
+NC(C(=O)O)CSC(C(F)F)(F)F,0.32063415422387387
+[O-][N+](=O)[CH-]C,0.8169959738470334
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.656216290023788
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.06842554640548046
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8594994922063519
+Fc1ccc(c2c1nccc2)F,0.372255676261949
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.8697991068651036
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.06752002100080821
+O=NN(C)C,0.9166123763689046
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9777706382435426
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.08187047445843859
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.08795037722916771
+CNc1ccc2c(c1N)cccn2,0.9038138371949097
+O1C2C1c1cscc1-c1c2csc1,0.7621215894744408
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.27248378466948037
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.1151571740186169
+ClCc1ccc(cc1)Br,0.3895159273362375
+Oc1ccc2c(c1)nc(n2C)N,0.6458370746404515
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.5542230105448005
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.8316412078486138
+O=NN1CCN(CC1)C,0.7106188180869879
+Cc1cc2-c3ccccc3Cc2cc1C,0.6518088436066167
+NCCc1c[nH]c2c1cccc2,0.7190457106979039
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.9245319828215103
+Cc1cnc2c(n1)cccc2,0.5365643964885034
+CCCC=O,0.3846880469682989
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5280514596820676
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5501287489003824
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9376191430192147
+Clc1ccc(c(c1)C(=O)O)O,0.1423100472088424
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.8302372039225598
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.3129867717199133
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.6250712901230369
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.13131038592124109
+Cc1ccc(c(c1)N)N,0.7342954406322995
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9693403233316248
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7761147609834493
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.4487079935580675
+CCSCCOP(=S)(OCC)OCC,0.17280119830890014
+C[C@H](CO)Cl,0.6445958500153618
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.9304176091524949
+OCCCCCCC/C=C/C=C/C,0.1977105871540622
+CN(C(=O)NC)N=O,0.8360683786309742
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.827946555037121
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.31205668416477605
+COc1ccc(cc1)[N+](=O)[O-],0.8619907646916307
+Ic1cccc(c1)[N+](=O)[O-],0.7091143986768769
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.2648248007640423
+O1CC1Cc1ccccc1,0.5512538439486384
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.8709986854860485
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.0521849928918988
+CCCCOc1ccc(cc1)CC(=O)NO,0.3316416909088302
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.7710300603487428
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.4362357456432408
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.3659624693560393
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9658455376866255
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.856100486243746
+ClC(=O)c1c(Cl)cccc1Cl,0.1604784709567656
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.13971586160333688
+CC(=O)Nc1ccc2c(c1)cccn2,0.4799631087642039
+CCCCC1CO1,0.7634803567280035
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.4562962907699085
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7676994072198473
+CN(N)C,0.3450822725101551
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.11389159041919178
+Cc1cccc(c1)Br,0.09536448764533115
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9365180550405963
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.8338707543823477
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.9198312773482149
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.2896267926398602
+ONc1cccc(c1)c1ccccc1,0.8003890673243625
+C/C=N/N(C=O)C,0.9074826711950249
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.7915763914164592
+NC(C(=O)O)COC(=O)C=N#N,0.6528550544327731
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9068958815296275
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.46715252897504955
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.04813254011011443
+CCN(c1ccccc1)N,0.7591389653441466
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.2140963562081811
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.8133267532055347
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.1189190797660017
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.405946329140298
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.4452316753708261
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.7630540834057283
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.12828154190270707
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.5401601636029774
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.3012533534308026
+O=C(C1(C)OC1)NCc1ccccc1,0.5448913294276969
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.16419403445196828
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9614099868123841
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.4063372469279794
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.19658124864495016
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.17688337467311915
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.24497530108531212
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.397279516182931
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.47211910873885893
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.5977909083121273
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8028825269921471
+Nc1ccc(cc1)C(=O)N,0.4278581298021188
+c1ccc(cc1)NNc1ccccc1,0.6848541749607671
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.24668141583490927
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.4337240387687675
+NC(=O)c1cccnc1,0.11977887488489207
+CCC(C(=O)NC(=O)N)(CC)Br,0.16451470984783886
+Nc1cccc2c1nccc2,0.7980300622969452
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.8237139161689819
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.43424883813960763
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9332332096798531
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.33294903660999275
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9128265489309988
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.33199281741321995
+CCCCCC(/C=C/C=O)O,0.33042287919917934
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.4497454434367078
+CCOO,0.5404677446865889
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.4460543684428403
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.909673250795124
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.4045793125003212
+COC1=C(OC)C(=O)C(=CC1=O)C,0.21606367880464056
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.29160367608451726
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.1643436521890068
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9288875532000833
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.3598761508678556
+ClCc1cnc(nc1Cl)Cl,0.3868579000694311
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.04129947646141303
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9186723375143679
+CC(CCCCCCCOC(=O)C(=C)C)C,0.10755588258666775
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.8512365029069193
+O=NN1CC(=O)NC1=O,0.7353545502228065
+O=NN1CCCCC1,0.8387871009910831
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5311771598940833
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.6499099213888523
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.8510646273815212
+NC(=O)c1ccccc1C(=O)N,0.3782840671092372
+c1ccc(cc1)CN1CCN=N1,0.831014877179048
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.7672741394195113
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.0983364497187447
+Cc1cc(C)nc(n1)Nc1ccccc1,0.20649411775604773
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.1559243335450941
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.2754941627597631
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.6009870745691588
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.28855431843320495
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6292217582217193
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.8739323715548702
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.3803033199430482
+CN=[N+](C)[O-],0.6842970454220125
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9252022212707166
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.17641980231723028
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.045086515875992036
+C=Cc1ccc(cc1)N,0.5569941305925624
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9855019720330989
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9641306206233988
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8592443399965606
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9695206825115079
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8899908460093906
+CCCCCCCCCC[C@@H]1OC1,0.524139875097866
+Clc1ccc(cc1)Cl,0.11043876479663296
+S=C(Nc1ccccc1)Nc1ccccc1,0.14615577061155718
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9363165316878868
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.6037330168317159
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.4247532867766214
+COC(=O)CC(=O)C,0.14956885292547673
+OCCOCCOCC,0.2173668326723045
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.09128061343201185
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.17224978272497646
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9334870191502718
+Sc1ccc(cc1)[N+](=O)[O-],0.7391593125160042
+CC(=O)NN,0.5
+Nc1[nH]cc2-c(n1)ncn2,0.4462300343257825
+OC(=O)CBr,0.5468266862081623
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9788946906841727
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.4349423515190384
+O1OC2c3c(C1c1c2cccc1)cccc3,0.7084923287084053
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.2542463818279318
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.1489122790436447
+OCCn1c(C)ncc1[N+](=O)[O-],0.6111317258265204
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.903483076675599
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.6221937890037222
+COc1c2cc3OCOc3cc2nc2c1cco2,0.8830207913364483
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9067947347346144
+CN(Cc1ccccc1)C,0.21419092989452204
+CCSCCSP(=S)(OC)OC,0.23403173251585607
+NC(=O)CBr,0.730402922774009
+Nc1sc2c(n1)c(Cl)ccc2,0.7672757692475888
+O=C1NS(=O)(=O)c2c1scc2,0.1077171314886876
+OCc1c(CO)cnc(c1O)C.Cl,0.23857872205789493
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.6656693023282346
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.7678565270832554
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.5767742832776751
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.34616744121847626
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.08239389119881625
+c1ccc(cc1)/N=N/c1ccccc1,0.7555857733918512
+OCc1cc2c([nH]1)c1ncccc1cc2,0.771443985423299
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.793383264901975
+Nc1ncc2c(n1)nc[nH]2,0.590301320778796
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.16307087287185235
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.6243951927277233
+CCCCOO,0.40304375537118603
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.555574814064316
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.176579439345419
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.7707244603198414
+CC(=O)Nc1snc2c1cccc2,0.44062273480191433
+CC(=O)OCc1ccc2c(c1)OCO2,0.33214387075536794
+CC/C=C/1\OC(=O)c2c1cccc2,0.17512515111524482
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8165794052311428
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.8839777663893742
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.5157288886295213
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.48416094707759333
+OC(=O)c1occc(=O)c1O,0.2139711301953433
+ICCc1ccccc1,0.23743567190401052
+FC(OC(C(F)(F)F)Cl)F,0.4465829113361814
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.5490938444274918
+[O-][n+]1cccc2c1C=CC1C2O1,0.8358679081738991
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.31531534663170485
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.15545632820190186
+Clc1ccccc1Cl,0.2032647062197512
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.361658377784824
+Cc1ncc[nH]1,0.10723683191105307
+Fc1ccc2c(c1F)cccn2,0.506724832348328
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.3457831700458866
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.8607142532170804
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.3002564355875042
+CC(N)(C)C,0.11136709888520505
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.2950659248995541
+OC[C@H]([C@H](CO)O)O,0.16688172053662065
+[O-][n+]1cccc2c1c(O)ccc2,0.7075413663001061
+CC(O)C,0.10768238069431718
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.017516752712558346
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.18690755837957224
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.37624738781281974
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.8784383350242788
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.09470967640826139
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9148799825234903
+Cc1ccc2c(c1)cccn2,0.6158926397955229
+[O-][N+](=O)c1ccccc1Br,0.6704153764303253
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9201402863247086
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.930895300787739
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9345749950652771
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.10702552554783092
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8063041897241656
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.06651155070613887
+NCC(=O)Nc1ccccc1,0.48460096580699497
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.10747192071744804
+CC(Cl)(Cl)C,0.07468750428500376
+ClCCN(c1cnc(nc1O)O)CCCl,0.29342953087988616
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.8718067921170459
+c1ncn[nH]1,0.19251519455894167
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5200325973581954
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.11185112635313317
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.059986117041572064
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9785293773060282
+c1ccc2c(c1)occ2,0.28220775786919633
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9606275645876046
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.28603523833509437
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9745488626502424
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.11450743713880662
+BrC(=C)C(=O)C,0.2386652866526216
+CC(Nc1nc(O)nc(n1)O)(C)C,0.0507100441758065
+CC(=O)ON(c1ccccc1C)C(=O)C,0.5627503226618747
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4167858023889267
+O1C2C1C1N=NC2C2C1O2,0.8163278480364293
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.06094945623888792
+ClC/C=C/Cl,0.8241920526875166
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.18660647088953175
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.3637104467927986
+CNC=O,0.6497796585039594
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.6955253172827265
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.8775443059366205
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7364675322287265
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.8655970157096368
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8317696249137835
+CN(CC[C@@H](N(C)C)C)C,0.1630650699929802
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.10668888445454437
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.6882072298342177
+Nc1ccc(cc1)c1ccccc1C,0.89703021697742
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7455005748003286
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.7305595350917983
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.8813532341698921
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.2839328584859038
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7934482094907694
+O=C([C@@H]1OC1)NCc1ccccc1,0.6831102280438089
+BrC(C=O)CBr,0.9284768788400115
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.7909790965910773
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.8693116623345432
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.8600556206529056
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.13165283587413304
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.12214726369316208
+c1ccc2c(c1)Sc1c(N2)cccc1,0.8079427039001637
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.23409778198730902
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.12699537248699902
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.466939581557298
+CCCCCCCCCCCC(=O)NCCO,0.12163535140374414
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.899489201641969
+CC(=C)C,0.06777138750620709
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.23180696549072236
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.3549775416555946
+CCOC(=O)[C@@H](O)C,0.20311682502261616
+CC12OOC2(C)c2c(O1)cccc2,0.3028378854928787
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9294210671449462
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.1068088899033263
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.3187142270891221
+CCCCCN(CCCC)N=O,0.8344302580881702
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.48569848064702925
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.5617492331073762
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.13472890032868534
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.09882388391272176
+OCCCN=N,0.6319114613902409
+NC(=O)NNC(=O)N,0.42108355840419703
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.8529804546121104
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.06462421389861997
+c1ccc(nc1)c1cccnc1,0.2897207660692294
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9165015014161754
+O=NN1CCN(CC1)N=O,0.859544439378093
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.7583311026659083
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.29592259865779613
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.6995580770495453
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.4610596533882037
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.32104217869291324
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9834075196588763
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.21485462701534536
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8878072836013859
+COC(C)(C)C,0.1674387314714161
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.5900504253090509
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.910003620452713
+OC[C@@H]1SCCN1N=O,0.8740317338357811
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.11460929584556395
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9346675026190097
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8425459957218384
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.841642004865012
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8594167743318413
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.18080916981443065
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.43041347097924054
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.1920642449381108
+NCCc1c[nH]cn1,0.17866639814243004
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9486939471033916
+CN1CCN=N1,0.7047697473265484
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.7868335940972966
+n1ccc(cc1)c1ccccn1,0.4686196008931134
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9609101477950617
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9587360982473461
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.5554878531782904
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.8617246473896892
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.16442123709207448
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.5899786180961151
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.9328530048736506
+Oc1ccc(cc1)[N+](=O)[O-],0.6837842295010585
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.3106338439378817
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.22485438165688315
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.20061850196672262
+Fc1cccc2c1c1cccnc1cc2,0.6802119733785977
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.8501873732194617
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.08519943167977044
+O1C(C1c1ccccc1)c1ccccc1,0.6458070986997551
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.5428226055899411
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7884611383207473
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.26195463261055907
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.8392802622489827
+Fc1cc2cccnc2c2c1nccc2,0.6275660812550119
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.1559397772245544
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.9536034763225647
+N#CC(=C(C#N)C#N)C#N,0.17562222247953033
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.764512819782471
+CCOc1cc(C=O)ccc1O,0.2312312648335884
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.8541184743546231
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.05862927042212443
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7736020662295254
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.8062348421180093
+COC(=O)C1=C(CC)C(OC1=O)C,0.12264457211599084
+Cc1c(N)cccc1Cl,0.6897916208006555
+OCC=C,0.43129523094168426
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.08101813571870123
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.8036915513099717
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.16418913370921623
+C[C@H]1CCOS(=O)(=O)O1,0.3358071493692142
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.35700496715477015
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.5
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.7599005046031571
+NC(=S)c1c(Cl)cccc1Cl,0.30655917321948023
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.2746371343696881
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.2434246613506415
+Cn1c(N)nc2c1cc1cnccc1n2,0.8920844157545527
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.5883892299443937
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.07312205582714247
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.2777797423669047
+Clc1cnc2c(c1C)cccc2,0.5296975716890898
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8945264374364197
+Nc1ncnc2c1ncn2Cc1ccccc1,0.6521407416089466
+CC(c1ccccc1)CN=N#N,0.8162376771881603
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.8619123584125936
+CCOc1cccc2c1nccc2,0.6218789917735172
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9053685615982089
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.3512069534759427
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.161874925443006
+CC(=O)Nc1ccnc2c1cccc2,0.32833073983537076
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.9044534516852601
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9496939521186908
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.7536868254217288
+CS(=O)(=O)O,0.0744803838040217
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.833487494215535
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.8342545941796832
+O=C=Nc1ccc(cc1)N=C=O,0.4709721218512253
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8505067012761499
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.47536725006211694
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17235602571607841
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.889213058092381
+OC(=O)c1cccnc1,0.03478327889746971
+CCN(CC)N,0.5835526802516965
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.9194841308541133
+OC1C2OC2c2c(C1O)cccn2,0.3531238970034478
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.22985176263419205
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.7439583748607044
+O=C1C(O)CC(N1C)c1cccnc1,0.1423486386988697
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.36852845319822614
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.7400463501911585
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.2938533678057622
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.12694264790764367
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.7427991746909713
+O=CC1=CCC(CC1)C(=C)C,0.13478137208556468
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.4649703760974392
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9623419557334578
+Cc1cnccn1,0.2957836538243504
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.8722037613205722
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.46796597086148367
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.2970040888810818
+ONc1nc(N)nc2c1nc[nH]2,0.49293588534052263
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.12828154190270707
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9912417116597533
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.27248378466948037
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9711725576145732
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.2718305065915103
+OC(=O)C1CC1,0.287264756779679
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8506659706243148
+CC(Cl)C,0.2249834566098527
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.6828343329992128
+N=c1nc[nH][nH]1,0.35450798377600484
+CCCCCN,0.27356599377426616
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.8842280775662288
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.2175036870294758
+C=CC(=O)OCCCCCCOC(=O)C=C,0.11036413027003318
+NNc1nncc2c1nccc2,0.8821309163185551
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.18122356882437862
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.8592054642681954
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9703686755441292
+CC(=O)OCc1ccccc1,0.3313149367700438
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.47187925526067026
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.5694996760259334
+Cc1ccc(cc1)C(O)(C)C,0.12967739149871563
+C[N+]1=CC=C(CC1)c1ccccc1,0.17597795593304
+C/C(=N\O)/C(=O)C,0.598056694342334
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.4886007945125519
+CC1c2ccccc2-c2c1cccc2,0.5374848887563735
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6153573590182919
+CSCNc1ccccc1,0.46353303226282444
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.16424183708884896
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9370639537661268
+OCc1occ(c(=O)c1)O,0.19287105266104385
+CC(c1ccc(cc1)C(C)(C)C)O,0.07194814062997289
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8610819297182971
+Oc1ccc(c(c1)C(C)(C)C)O,0.11367294859903422
+Oc1ccc(cc1O)C(C)(C)C,0.11515943528341435
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.7712532028713694
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.21781060746063213
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2203449879901909
+Cc1cccc(c1)[N+](=O)[O-],0.7867338024340212
+C/C=C/c1cccc(c1OC)OC,0.40120651268152796
+COS(=O)(=O)F,0.463725229950323
+ClCCCBr,0.8182228621382471
+CC/N=N/O.[K+],0.7771636501395993
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.3978037059773491
+CCCCN,0.20873672237053123
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.030781794878419002
+Oc1cc(O)cc(c1)O.O.O,0.0908268594866162
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.4923463699336261
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.40686308891971534
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.11938109353850244
+OC1OC(=O)C(=C1C)Cl,0.41102798003413915
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.9592695735356624
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.8158454297633847
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.843612460296352
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.6072789000437122
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.5726741650887082
+O=Cc1ccc(c(c1)Cl)Cl,0.37016969941774314
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.32901626114185245
+CC(=O)N(C)C,0.3622975606972328
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.054291027683099354
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.22126365867350267
+Clc1c(Cl)cccc1Cl,0.1703602677320845
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.11073319110322577
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.20728541833588474
+OCc1ccco1,0.21774782019065886
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.030362639100341517
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.8762096057541837
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.7611514723389537
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.11745820408435623
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.7657233702977392
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.4136193921904629
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.30846863719921785
+Oc1ccc(cc1)c1ccc(cc1)O,0.48927712413728036
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.03955883618119549
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.5227696157897269
+O=NN(Cc1ccc(cc1)Br)C,0.869653390746708
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.17032069307585307
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9763014958547838
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.7075726344038628
+CCc1cccc(c1NC(=O)C)CC,0.12403659214214631
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8681942132765342
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.8219470756502044
+CCCCOCCOCCSC#N,0.5
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.41204207942312654
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9257408363815376
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.6416463593953374
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.7557626172254498
+CCCCCCNCCCCCC,0.24330292208272475
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.7516107248589258
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.34643041547605885
+ClC(=O)c1ccccc1,0.2995868971269407
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8424920339273428
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.15926539929901357
+Oc1c2ccccc2nc2c1cccc2,0.5971233564151639
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8802493005971048
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.8726708214147925
+O=NN1CCCN(CC1)N=O,0.8301135002435625
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.797735860609216
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.19096885081008327
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.8227291111277909
+Clc1ccc2c(c1)nc([nH]2)N,0.441826215535193
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.19934184281624862
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.08193643581469762
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9678929567347088
+NCC(C)C,0.37688934232430576
+CCN=[N+](C)[O-],0.8415935566776985
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.21746411107913707
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5745298001021338
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.46555167813534876
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.8672962900960417
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8092895260560321
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.6338225976465295
+CCCCCCCCCCCCCCCCCC(=O)N,0.12469620182026012
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.08182806700337203
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.17166579850518815
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9881055946766539
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9803094936900516
+O=Cc1ccc(cc1)O,0.18038977071531875
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.3954709828730409
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.8436315278559297
+O=C(c1ccccc1)OOC(C)(C)C,0.19983818262407646
+CN1CN(C)CSC1=S,0.24134513595918883
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.6411985052571144
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.3176368349639917
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.05519788739719792
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.7952553618124208
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.16845953411360665
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.8284913812463838
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.873864527268348
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.21439457340991036
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.12860741951985308
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.12464297747141055
+NCCCNCCCN,0.36096549410282996
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.8744944470322383
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9515456817537022
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9010417929628785
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.8402066218033577
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.7710165571764734
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.5321607704119136
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9385859919184357
+BrCc1ccc(cc1)Br,0.35207154173634647
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.12016337424414149
+ClCc1ccc(cc1)C#N,0.6651602444733639
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9443956767068767
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.7761396980517998
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.16061704734003077
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.831426204343714
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9781085308445708
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9690577741636744
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7385458823341408
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.7439762452551397
+CCN=[N+](CC)[O-],0.8716494862561478
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.0810185382471109
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9650265233177483
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.8991218805764543
+BrC(C(Br)Br)Br,0.4464664418602654
+C[n+]1ccc(cc1)c1ccccc1,0.2176541360421684
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3328574492672784
+NCC=C,0.5860288760105646
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8012155958866709
+NCCNCC,0.3962024844344299
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.15426998812273612
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.39705011600109896
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.3743495023752168
+OC1=C(C)CCC1=O,0.2846784895631112
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9065691019359017
+COc1cc(ccc1N)[N+](=O)[O-],0.9275329402441442
+N[C@H](C(=O)O)CSCCCl,0.6218505646041366
+NC(=O)N,0.19275985974482973
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.5380087805721653
+C=CCNCC=C,0.45163131237373205
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.3653405522744662
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.11546341539543323
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.7929799653690601
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.08746430759745129
+COc1ccc(cc1)C(C=C)O,0.19511505455053144
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8499513213728728
+CC(=C)C1CCC2(C(C1)O2)C,0.16033467093131526
+CC1=CC(=O)CC(C1)(C)C,0.0687709582422994
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8261345389178124
+CC(CCNc1snc2c1cccc2)C,0.40910685814854053
+SC[C@@H](C(=O)O)NC(=O)C,0.1543626839049139
+ClC(=C1C=CC(=O)O1)Cl,0.5672216985023396
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8216473683465148
+O=C1OC(=O)c2c1cccc2,0.15028671235230248
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.14693919219232
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.42722082072510514
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.3517602627334976
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9000146982069545
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8917977920725441
+BrCCBr,0.5052786095573816
+COC(=O)c1ccco1,0.38767037596684756
+Cc1cc(N)c(cc1C)C,0.5317586943966034
+O=C/C=C/C(O)C,0.31253066732481377
+CCCCCCCCCCO,0.1504398418825848
+CC12OOC1Oc1c2cccc1,0.420282687296284
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.6473556896881018
+COP1(=S)OCc2c(O1)cccc2,0.28459000832407055
+Nc1cc2nc3ccccc3nc2cc1O,0.9318758316959475
+NCCCN1CCN(CC1)CCCN,0.1966869807235445
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.4240366299066743
+CCCCCCCCCC(=O)O,0.06599947429733749
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.803362454251447
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.8261805083922572
+CCOC(=O)CNC(=O)[C@H](Br)C,0.5926568592902779
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7959650182794857
+CC(=N)S,0.2215980728613632
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.394178561124646
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.975537256607762
+Clc1ccc(cc1)[N+](=O)[O-],0.7775751941008714
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.21125744348136158
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9056543811772092
+O=NN1C[C@H](C)C(=O)NC1=O,0.6608364434822533
+Clc1cccc2c1nccc2,0.38882635238772095
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.3467227352400509
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.1935569723222346
+S=c1ssc(c1C)c1cnccn1,0.3385911977316679
+Cc1ccc(c(c1)O)N,0.5368190496017725
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.6653317982223312
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.20844454696391526
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.39059513219184483
+BrCc1ccccc1[N+](=O)[O-],0.903696092217521
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.8746303151236083
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.6465722947604036
+CC(CC(O)C)C,0.07347722620502599
+OC(=O)/C=C/c1c[nH]cn1,0.08324561440431967
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.4008447645299445
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.17757287996406249
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.7474910349587067
+OCCC(CCC=C(C)C)C,0.10114497168786105
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.05533614070776668
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.22810316983683787
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8492110540691405
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9537359989843598
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.9108193221739534
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.07526776398281847
+ClC[Si](C=C)(C)C,0.4300288471277812
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.1590887690581851
+O/N=C/1\C=C/C(=N/O)/C=C1,0.7326019035685591
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.8510637018172782
+Clc1ccc2c(c1)cccn2,0.43750462529794554
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.13333511019051794
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6583294085415013
+Cc1cnc2c(c1)cccc2,0.48943112095005825
+Brc1ccccc1,0.1779482493687168
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.25314296954335996
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.17238169351143742
+C=CC(=O)OCC(C)C,0.2378485712763676
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.23821419886412637
+O(Cc1ccccc1)C[C@H]1OC1,0.8110389993948862
+O/N=C(/c1ccc(c(c1)O)O)\N,0.7951378558435128
+Nc1ccc(cc1)F,0.4332710239342645
+C/C=C/Cl,0.7688515481380862
+CCNc1nc(NC(C)C)nc(n1)O,0.057315548073415205
+Nc1ccc2c(c1)ccc1c2cccc1,0.9436341401028767
+Nc1cnc2c(c1)nc1n2cccc1,0.7996893330906778
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.5396899405659942
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.46642889229420664
+CCCN(CCCCO)N=O,0.8612669907122986
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.29714603064687845
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.350920472538562
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.14763980545429847
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.5236020133193038
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.577730617048146
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8977284948404828
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.30757448052158803
+Nc1ccc2c(c1)cccc2,0.797606951979443
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.8029415206959196
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.4103684554498199
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.22507136310027867
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.332298344637269
+Nc1ccccc1S,0.3853597238175777
+CC(OOC(C)(C)C)(C)C,0.26837849867885477
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.15602777469435836
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.8737233836841858
+CCCCC/C=C\C=C/C=O,0.436656118382843
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.05546559483012452
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.41407738572853525
+NC(=O)Nc1cccc2c1nccc2,0.6916008459409735
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8284568821070026
+S=C1NCCN1,0.33625749387830933
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.43795362132118715
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6896210828159194
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.5982501382276934
+Cc1ccc(c2c1ccc1c2cccc1)C,0.8677152206962951
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.07372239281898858
+CCCC[C@H](COC(=O)C=C)CC,0.12765122762098585
+CC(C(=O)OC)CN=N#N,0.881955891269033
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.958915474064022
+O=c1oc2c([nH]1)cccc2,0.2430013785390741
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.16633191708967154
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.04936829634534339
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.8807085046948643
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.45993819214991644
+c1cnc2c(c1)ccc1c2cccn1,0.7859537195449151
+O[C@@H](c1ccccc1)[C@H](N)C,0.21965865742024634
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.8721801703599469
+OCc1ccc(cc1)Br,0.382384820452452
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.282653570705357
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.8372599615238472
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.07980299824584053
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.8208521116299453
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.03922035563138395
+C/C=C(\C=O)/Cl,0.5367983902394234
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.8627335635449583
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.24897902163032032
+Fc1ccccc1,0.14233339117888144
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9693166536383329
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.7883914800742471
+C[C@H](COC[C@H](O)C)O,0.22278832515570748
+O(Cc1ccccc1)Cc1ccccc1,0.29010322384633735
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.8669189633646839
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7464579646064569
+C[N+]1(C)CCOCC1.Cl,0.08629932031513202
+Clc1cncc(c1)Cl,0.13941879756562725
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8579556428801226
+Cc1cccc(c1)C(=O)Cl,0.3166386751122045
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.09146454540137448
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.15812302539909814
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.8249243784748449
+COc1c2ccccc2nc2c1cco2,0.776943998134699
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.06116258820611411
+[O-][N+](=O)c1ccc(c(c1)N)N,0.937587833191373
+CCN=NO,0.7771636501395993
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.15656631356876696
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8755828134038756
+Fc1ccc2c(n1)cccc2,0.2648947517481479
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.11908820049785918
+BrCC(=O)Nc1ccccc1,0.5121142840292359
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5421090341724903
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7471482314201999
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9748350407377917
+Oc1ccccc1c1ccccc1,0.26359046459759977
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.14624074434650147
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9814475279039744
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.8579989282152723
+CC[C@H]1CO1,0.6891677759099831
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.1960738002337614
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.7127779913040336
+C1CCCCCC2C(CCCC1)O2,0.43909893772014263
+NNc1ccccc1[N+](=O)[O-],0.9094049448768882
+CCCCOCCO,0.14477048122542588
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.7385912538613799
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.882440215351085
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8935816835748551
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.7203938823517679
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8551918412184147
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.916036611265016
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8156064322306343
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.1373653394151474
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.0734042203994151
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.4669275715444289
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.3282068957825757
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.5407261733224319
+Oc1nncc2c1cccc2,0.33531376174003064
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.16424082223031633
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.16854953319354793
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.06728462780478589
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.43712690910177704
+COc1cc(ccc1OC)C[C@H]1CO1,0.6392664911727054
+Cc1ccc(cc1)CC1OC1,0.5160981512170468
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9637836948479312
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.2641858006846855
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6649013589581265
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.43042495913063056
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.4786909392821874
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.12322508280709192
+C/C=C(/C=O)\Cl,0.5367983902394234
+O=C([C@]1(C)OC1)NCc1ccccc1,0.577796063068124
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7139431679677899
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.03442012540777918
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.6363610863239406
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.15547086131381607
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4622561250518751
+CCCCCOC(=O)C=C,0.18396339277791066
+O=NN(c1ccccc1)C,0.8298606777055115
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.3503916434115615
+COc1ccc(cc1)CN(N=O)C,0.9216628766309107
+Cc1ccccc1c1ccccc1,0.4024133208966261
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.13803496082680014
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.2401649280436604
+C1CCCCNC1,0.28852684817724605
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.26712009536617237
+CC(=O)Nc1cccc2c1ncc(c2)F,0.3311787673428095
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.341481491897687
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9478246498690887
+N#CC(O)(C)C,0.18449830001330828
+Cc1ccc(cc1)Br,0.1573540253579297
+OC(=O)/C=C/c1ccccc1,0.18198942481668245
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9779590166250833
+CCc1ccccc1N,0.5337653325028144
+CCCCB(CCCC)CCCC,0.06842780666203029
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.08394968558917318
+OCc1ccc(cc1)C,0.18907266708533096
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.487979512351822
+CCCCCCCCC(=O)OCC=C,0.13200387868030877
+OC(=O)CCCOc1ccc(cc1C)Cl,0.1019691974271063
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.18574034096853578
+CCN([N+](=NO)[O-])CC,0.9470830671608569
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9799648813755115
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.09635271359362918
+C=CC(=O)OCCCCCC(C)C,0.19441845176001174
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.8362512407837142
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.8624658995894099
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.8159426257203537
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.22903055469796468
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.23923614921925004
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.6324826681906337
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.11182400189296474
+N#CC1(O)CCCCC1,0.07813213555365638
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.3872932450660512
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.07854213453019027
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.7639827141311064
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.3311701325331373
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.20109973994482375
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.944121713494562
+O=NN(C(C(=O)C)OC(=O)C)C,0.8781578320667842
+C=CCC[C@H]1CO1,0.7181835356509755
+OC1CC[N+](CC1)(C)C.[Cl-],0.041965246992026126
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.9133328783774225
+CCCC(=C)C=O,0.35987369454628587
+OCCSN=O,0.9143620750503584
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.33851339527044444
+Clc1ccc(c(c1)Cl)Cl,0.09415246962880039
+O=NN1CSCC1,0.9333716351261775
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.8449597917115618
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.7990922461537543
+CNc1ccc(cc1)N=Nc1ccccc1,0.9274555141187091
+CCN(C(=S)SCC(=C)Cl)CC,0.18484320068541246
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9087100726148769
+Fc1ccc2c(c1)cccn2,0.3731387339157637
+O=c1[nH][nH]c(=O)c2c1cccc2,0.28739932774863053
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.8620428136568146
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.23064468135723862
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.7746497699163531
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.1417005614253245
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.3467227352400509
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.8876476070125993
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.10258516149336543
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.08574016509160043
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.12793947166168262
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.102755273448237
+NCC1(C)CC(N)CC(C1)(C)C,0.1387503367663316
+Cc1cccc2c1cccn2,0.4585023348759849
+[O-][N+](=O)c1cccc(c1N)C,0.8636587284613985
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.10384429418589047
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9781500191764855
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.19799830928147
+O1CCC2(CC1)CO2,0.2156603467711395
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8644836660481413
+O=C(C(Br)(C)C)Nc1ccccc1,0.18229140400102617
+CNc1c(C)cc2c(c1N)cccn2,0.8923615542119601
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5608731902084806
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.7062729548177578
+[O-][N+](=O)c1cccc2c1nccc2,0.8829969730698343
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9786166312426394
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.1160820720870939
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.0914737710667145
+CC(=O)OCCOCCOCCOC(=O)C,0.3682091794668477
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.07862078544199702
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.12211961299128683
+Oc1cccc2c1OC(C2O)(C)C,0.21733434510257485
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7931667103354643
+CCN=NC(OO)(C)C,0.8171400672283461
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.27519747059947464
+ClC(C[C@@H]1OC1)(Cl)Cl,0.7751823144490485
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.8810739440390355
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.10905062123381726
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9385384296865286
+CCP(=O)(OCC)OCC,0.2105295304942213
+NC(=O)Nc1ccc(cc1)Br,0.5244199480765407
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9650293994157431
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.1968592190451596
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8157129436306483
+CC(C(=O)O)Cl,0.4597386146676349
+C1CCC2C(C1)CC1(CC2)CO1,0.25146690114712733
+C1=C[C@@H]2[C@H](C=C1)O2,0.630644374518646
+OC1=CC(=O)C1=O,0.43304405695001386
+COc1ccccc1C[C@H]1CO1,0.7768511005636994
+CCCN(C(=O)SCc1ccccc1)CCC,0.19242302928797742
+OC(=O)C(Cl)(Cl)Cl,0.6369541154104156
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.3875294452548455
+O=C(C(F)(F)F)C(F)(F)F,0.14415641730705855
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.5880149035040682
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.8830759137303396
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9649334568011236
+ClCc1ccc(cc1)Cl,0.37862827434896223
+CCOc1ccccc1[N+](=O)[O-],0.6445608851745912
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.6059212010567975
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.36453989607719933
+NC1c2ccccc2-c2c1cccc2,0.7265581571240691
+O=NN(CCCC(c1cccnc1)O)C,0.4721891652557626
+O=NN(Cc1ccccc1)C,0.850255651421325
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5601766812180435
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.09616191524078563
+OC(=O)C(Cc1ccc(cc1)O)N,0.16037267481136883
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9041617490743674
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.35802891749218796
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.8153842843020348
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.523256781219124
+CCCN=NC(OO)(C)C,0.8035773058509483
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.127225556190437
+CC(C(=O)N(Cc1ccccc1)C)Br,0.4080226562460646
+O=Cc1ccccc1O,0.10594188423695818
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9111253293836854
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.8774705623858787
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9588234266666831
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7906607685402586
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9746832042958081
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.8470668296381983
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8493395017537483
+OC(=O)Cc1ccc(c(c1)O)O,0.13764400421850928
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.18372621176301696
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.5542406996222567
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.17289878091897856
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.4583364290913472
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.4051050420470343
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.6979862707624537
+COP(=S)(OC)Cl,0.32119861145962286
+NCCCN(CC)CC,0.2479132650795841
+BrC[C@H](Br)C,0.7241071350853162
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9647374955211772
+O=C(OC(C)(C)C)CN=N#N,0.7187436500410439
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.2755879654779775
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.6423284906412319
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.22758210904892492
+COc1cc(OC)[nH]c(=O)n1,0.3178210803937808
+Nc1ccccc1SCSc1ccccc1N,0.6741534580438363
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9000441926295073
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.4793989116419576
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.15341525814859
+Nc1ccc(cc1)S(=O)(=O)O,0.1308956543246016
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.4923463699336261
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.20895989427301498
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.4648548447857986
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.27697468787078644
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.42540398882012337
+OCc1c(CO)cnc(c1O)C,0.21305606043701655
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.08594634738273996
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.8707394184609673
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8020840107503177
+OCCN1CN(CCO)CN(C1)CCO,0.27063315997779425
+COC(=O)c1ccccc1NC,0.30277010684154665
+CCOC(=O)CBr,0.6650471717846327
+N[C@H](C(=O)NCC(=O)O)CS,0.5640471935679932
+COc1ccc(cc1N)[N+](=O)[O-],0.9655852942147375
+O=NN(Cc1cccc(c1)C#N)C,0.9066174106623978
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9505244777356144
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.4908063367619962
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9170901917122264
+O[C@@H](c1ccccc1)C#N,0.24096661623037566
+Cc1cccc2c1nccc2,0.5794584538504294
+CO[C@@H]1OC1(C)C,0.6452865015970825
+C1CN2CCN1CC2,0.18446211279293337
+ON1C(=O)CCC1=O,0.2948387141028299
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.9162761553780079
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.1615477978038192
+OCc1ccc(cc1[N+](=O)[O-])N,0.8261796290621369
+OCNC(=O)CCl,0.778939923053995
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.41148193793287696
+O=C(Cc1ccccc1)OCc1ccccc1,0.18309785370123852
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.22652586186136278
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.6331021090377393
+CCOCC(=O)O,0.16431430136945793
+CC(OC(Cl)(C)C)(Cl)C,0.09781412786448725
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.8594316710356004
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.12275329122268962
+c1ccc(cc1)Nc1ccccc1,0.4646436882527835
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.8935756033293465
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9016678316169484
+Oc1ccc(cc1)Cc1ccccc1O,0.3193211263631567
+CSCCC=O,0.41542570998775963
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.7243233579114498
+OCC(Cc1ccccc1)CN=N#N,0.8791046545842681
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8341206259495314
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9368628074935089
+O=C1CCCCC1=O,0.2880452163534317
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9787570202660522
+Nc1cccc(c1)N,0.24616627710012626
+NCCN1CCNCC1,0.2587091506427099
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.9042426941564141
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.8012107234667878
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.7419966109318876
+CN1CCC=C2C1CCc1c2nc(s1)N,0.5889453927776666
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8770020943828513
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.22941933107352191
+OC(=O)C(CCS(=O)(=N)C)N,0.12551882515252974
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.07891739919198934
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.4491455794658006
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.20096489187852853
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.8074523480685849
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.6395023320206188
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.8918745020602334
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9332075268777171
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.6647012686763706
+Clc1cccc2c1oc1c2cccc1,0.5366225597366658
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.10763047258572937
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9066320094646063
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.5
+CNC(=O)ON(C(=O)NC)C(=O)C,0.4772336278070409
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.6215955004246736
+C=CCOC(=O)C=C,0.27346066331406
+CS(=O)(=O)C,0.16444606701710823
+Cc1ccc(cc1)NN=NCc1ccccc1,0.8852054307283199
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.755679433037795
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5779603969014095
+O=c1nc[nH]c2c1cccc2,0.29395452809370043
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.6183042366013858
+N#C/C(=C(/C#N)\N)/N,0.6160265252971185
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.16853686314457733
+CCOC(=O)C=C,0.21205445880929621
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.8436866555383518
+Cc1c(N)ccc(c1C)N,0.6569850210086533
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.49475260906094537
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8127337615868897
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.10117600034716723
+O=C1C=C(O)C(=O)c2c1cccc2,0.39160039013768294
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.05195146458711799
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.8535319950148749
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.338405923114102
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.4305673053106396
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.8507410564933428
+O=c1c2ccccc2[nH]c2c1cccc2,0.6461042412740111
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.20150973895185714
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9203894782404642
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9340254310166096
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.16472281028747618
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9313494048992954
+O=Cc1ccco1,0.2968792562626001
+ONc1cc(C)ccc1C,0.508121322115187
+Nc1cccc2c1cccc2,0.7651160284410581
+C/C=C/C,0.10175315426599603
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.70049611671809
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.07306783299939024
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.20952329038749165
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.233482341631176
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9081681677270166
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.11016171228657902
+CCCCCCCCCCCCCCCCCCCC,0.11056154272403397
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.12551882515252974
+CNCC(c1ccc(c(c1)O)O)O,0.3875294452548455
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.8432162939352562
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9675634397541646
+OC(=O)c1cccc2c1nccc2,0.11012320663759617
+C1CCC2(CC1)CO2,0.2361251318227144
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.5211971354703777
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.03490951743588664
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.964689298040761
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.8193590242282002
+CCCCCCCCCCCCCCCCCC(=O)O,0.04545785907584143
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.7650074314175033
+CCCC[C@@H](C(=O)O)CC,0.05058918724389552
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.1381501579540882
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.4583364290913472
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9019241314706997
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.6315558207899928
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7557620464758772
+CCCCOC(=O)C,0.2195440187460184
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.74601905599215
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8507772780386462
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.12169483764372745
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9438387414101376
+OCCN(CC(=O)O)N=O,0.5706456812739108
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.5419177458226724
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.7276206039748854
+C(C1OC1)CC1OC1,0.6452551862223449
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.6074420102494156
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.3504997786183219
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.6802283331154204
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.1107112826161516
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.45342656540733534
+OCC(Cl)Cl,0.9068756426498543
+Cc1ccc2c(n1)cccc2,0.4506105792077732
+COc1nsc2c1cccc2[N+](=O)[O-],0.8973546660378136
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.8732411445909379
+Fc1ccc2c(c1)nccc2,0.2970120690449706
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.18490833229609208
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.2530914994056321
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.4372723004946951
+CCCC(=O)OC1CCCCC1,0.2040539210803827
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.3900186820191453
+C[C@H]([C@@H](CCl)Br)Br,0.5441801615648936
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9512671264274201
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.20657961468583405
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.17840139093256713
+Clc1ccc2c(c1)c1ccccc1o2,0.6195525180738721
+CCOc1nc(NC(=O)N)nc(n1)NC,0.13699039625892812
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9073248043703148
+O=C([C@]1(C)OC1)Nc1ccccc1,0.6205896578190864
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.11580156859343886
+CCCCCCCCCCC,0.11032035732556861
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.845564146815506
+OCCc1ccccc1,0.17819418908072704
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.19642872632511463
+Fc1cnc2c(c1)c1ccccc1cc2,0.762484981382597
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.30598417406947126
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9865285151532394
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.9578888128270404
+Fc1ccc(c2c1ccc1c2cccn1)F,0.7126668562350162
+ClCCOC(=O)Cl,0.8337889714360096
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.909417877936668
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.8597699555788418
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9651785680205293
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.7339867142327855
+C1CCCCC1,0.06112739120795197
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.902525236129703
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.8520793944215281
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.3766947560481981
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.8029069582162115
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.22581379604478868
+COc1ccccc1c1ccccc1,0.4663966727785781
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.18434496903505104
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9062678571524114
+CCCCCCCCC=O,0.23029316682606532
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.5458309627272814
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.2923440504323837
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.4006713682666084
+CC(CC(=O)CC(C)C)C,0.06610428885442192
+Nc1scc(n1)c1ccccc1,0.6872256603774969
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.878354642158497
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9407176755857088
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.24380435235202946
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.7316990124074041
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.7810854547418254
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9181813668370251
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.8592567845807525
+CC(COS(=O)(=O)c1ccccc1)C,0.16015427329662085
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.19143523804621018
+CCN(N(N=O)O)CC,0.8897418668223249
+OC(=O)C(Cl)(Cl)C,0.21297702464517035
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9202054258292822
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6603528789664862
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.933525561005054
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.2683118526130365
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9069095770831761
+Nc1c(C)cccc1N,0.6607114599069772
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.452088437847823
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.5644657560964189
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.6164383280359234
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.6409001230510311
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.8257085605106254
+CCCCON=O,0.8634945272215004
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.37607725482118515
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.8722013147106602
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.23868674882540453
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.944900392279396
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.35853113884830706
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.416334350944427
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.7336184901317935
+CNC(=O)Nc1ccc(cc1)C(C)C,0.18852575053186937
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.3789200695646422
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9263989386076709
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.15984385821559205
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.4312370511267063
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.138143328651472
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.3228499299778726
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9609484939987007
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9210799084560528
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.39903126274146516
+C[C@H]1CS1,0.5
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.12815233653548766
+FC(COc1nc(N)nc(n1)N)(F)F,0.14402493640968234
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8913489056127262
+NS(=O)(=O)c1ncn[nH]1,0.22156301163455663
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.21335115761051235
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.21826190830552475
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.12877500898248123
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.06032292792404297
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.5734629598388183
+Cn1cnc2c1ccc1c2cccn1,0.9221923146307213
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.2747000572431886
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.7473001080287334
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.19706008958566384
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.3586435908196409
+C/C=C/C=O,0.3549151294683123
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.18909882880108256
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8635247037866012
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.7960786707486692
+c1ccc(cc1)c1ccccc1,0.387412309796267
+OC(=O)CS,0.20996217603470482
+O=C1N(C)CCCN1C,0.3607337067963447
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.14942683020113826
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3310274393271303
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.8980536843435145
+NCCCN(C)C,0.3192652199735972
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9424812319947898
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.14924493356654583
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.1551412590380748
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.74878203665364
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8761850696250494
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9286768867841507
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.023663932845027606
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.26662029424937006
+CCNc1nc(NC(C)C)nc(n1)Cl,0.07729286450128667
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.7700767906791828
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.13067048451365193
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.16843205550492443
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.04288472196820964
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.1214960547399198
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.8471596262699508
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.8453509073547285
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.06934857595203187
+Oc1ccccc1c1nc2c(o1)cccc2,0.20796686051866492
+O1CCOCC1,0.13073761813818996
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.5225978288332211
+O=NN(CC(=O)C)C,0.8829818698937589
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.07900190570765755
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.534518787972012
+C1CCCO1,0.3369517980073033
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.9204532114124361
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.7547873918704215
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.4932379508477159
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8557178527812108
+Nc1cccc2c1ccc1c2cccc1,0.9455252998661628
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5562900592116391
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.37414958200223797
+CCNC(=O)CCC(C(=O)O)N,0.3313109836156872
+CCOCC=O,0.38645630201019054
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.39125805434991257
+COc1cc(Cl)c(cc1Cl)OC,0.23856482136427795
+CN(N=Nc1ccccc1)C,0.8556624905200096
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.07129978462725521
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.22211723532825675
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.899842347000434
+[N-]=[N+]=NCCC(C(=O)O)N,0.8226563658578255
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.34958063932687583
+CN(/N=N/c1ccc(cc1)Br)C,0.850797398037057
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.313295331256256
+ON1C(C)(C)CCCC1(C)C,0.14986020516180285
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.8270462934968679
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.887870501608724
+CC1=CC(=O)C(=CC1=O)C,0.1778138773998381
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.4382397155526806
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.4539729807282729
+CCCCCCCCCCCCCCCCN,0.2620882059179867
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.09205567993220796
+CCOC(=O)OC(=O)OCC,0.1701597906698908
+N#[N+]c1nc[nH]c1C(=O)N,0.3612514480690249
+OCCCc1ccccc1,0.3351322161241065
+Cc1ccc(cc1)/N=N/N(C)C,0.858054377820442
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.7693147343424954
+OC(=O)Cn1cncn1,0.10196922495986228
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.12180484784871345
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4431999920992416
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.22538957621296743
+CC(N)C,0.13034117773711096
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.41164907312696036
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.17524792085514332
+OCC(CBr)(Br)C,0.5867843381036787
+COc1cccc(c1C(=O)N)OC,0.22128472272402114
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.06751462119252337
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.5740215528208115
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.8759170425404851
+ONc1ncnc2c1ncn2Cc1ccccc1,0.7129168864269977
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.8281275916076098
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.08699994826694556
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.29578932159221577
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.05234272556666349
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.15661732461403327
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.25314760131931074
+[O-][N+](=O)c1c(C)cccc1C,0.7402972213272743
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9550003393977043
+OC[C@@H](CCl)O,0.7929009208165388
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.8947366967511798
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.797431039994693
+CCCCCCCCCCCC[C@H]1CO1,0.4040693363147394
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.7535838074881404
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.802150148242508
+[O-][N+](=O)c1cccc(c1C)C,0.6705448371686051
+OC(=O)c1ccc(c(c1)Cl)Cl,0.16126764627244
+O=CC(=O)C,0.5711468990501717
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7288580997274752
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.48618354750801407
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.3705717451852761
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.9278658878702724
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8574048986486517
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.7105684971317798
+CC[C@H](c1ccccc1O)C,0.11123279093831388
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.8345498397276354
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.06800165084451956
+N#Cc1ccccc1[N+](=O)[O-],0.7989698892648468
+OC(=O)c1cc2ccccc2cc1O,0.31449842468814126
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.9308719212725566
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.020417658119767118
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.6714041765653431
+ClCc1ccncc1,0.3758483643092526
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8928528402615769
+CCCCN(CC)CC,0.11676672264139736
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.12754411948077418
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.4330985920560829
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.45322410590013135
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.13947823184016628
+ONC(=O)c1ccc2c(c1)cccc2,0.7203664281332897
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.10916309795291812
+CCC[C@H]([C@H](CO)CC)O,0.0596699574336839
+CC[n+]1c2ccccc2nc2c1cccc2,0.7524235592092429
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9557067452203205
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8678145446142655
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.029118562208632525
+C1CCCN1,0.22768494358195845
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9403762896502907
+NC(C(=O)O)CSCCCl,0.6041738334984693
+CN=NO,0.6050511507376642
+Oc1ncnc(c1)O,0.039408949873596485
+CC([N+](=O)[O-])(Cl)C,0.7927946980535254
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.31090001761025826
+COc1ccc2c(c1)nc(n2C)N,0.7163433135298654
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.753628851765409
+C=CC1CC2CC1C=C2,0.1387672299187952
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.08127806957558122
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.4316833964997211
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9579926555347025
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8250492261018977
+CC[N+](=NC)[O-],0.8148872248130541
+OC(=O)CCCCCCCCC(=O)O,0.07404123998304366
+c1ccc(cc1)/C=C/c1ccccc1,0.4725252238910483
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.2779985178625757
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.2864402966946202
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.5803597907103555
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.1961885253480091
+NCCNCCN,0.47422505552208905
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.8092784861705768
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.06251354853333316
+C=CC(=O)OCCCCCOC(=O)C=C,0.21128984208881768
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.07761405121723189
+Clc1cccc2c1cc1ccccc1c2,0.8154978895945669
+CCCCCN(CCCCO)N=O,0.8340343427130807
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.7516750612639053
+Nc1nc2c([nH]1)cccc2,0.42458429868763004
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.879540328064336
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.022951346284089826
+Cc1ccccc1S(=O)(=O)N,0.2683989098980052
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8260014220149717
+COc1ccc(cc1)OC,0.2676932557716568
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.6514154444093841
+O=C1CCc2c(O1)cccc2,0.21022632461844115
+NNC(=O)CNC(=O)C=N#N,0.8597504594597839
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9616465791292087
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9839817513485439
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.88927530940617
+[O-][N+](=O)CC,0.8039941316513023
+CCOC(=O)C[n+]1csc2c1cccc2,0.4387654421439242
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.21450405237113032
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.3776142774762189
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.1652305380526289
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9008303823975147
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9640606261533153
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.12420809696924763
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.6635123492162053
+[O-][N+](=O)c1cccc2c1nsc2,0.811691008421678
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.248100015651416
+NC(=O)C[C@H]1CO1,0.6256026911707212
+Nc1ccc(cc1)Nc1ccccc1,0.784768289304324
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.14971629516987725
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.13111253683836024
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.650174508438556
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8392953375241785
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.753628851765409
+Nc1ccc2c(c1)cccn2,0.8067921008504595
+CN1CCNCC1,0.1473642491801754
+COc1nsc2c1cccc2OCC1CO1,0.8300460947414839
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.10228662958450603
+O=S1(=O)CCCC1,0.3374508979107906
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.5174918888147789
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.05281243380650828
+ClCc1cccc(c1)CCl,0.47092776564168787
+NNc1ccccc1,0.7719276136915229
+OC(=O)CI,0.39939402904920607
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.8479650026707684
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.09568784495669717
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.0610190842242135
+OC(=O)c1ccccc1N,0.10946841249877358
+Nc1ccccc1c1ccccc1.Cl,0.6551738164269215
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.03440202606087832
+OCCN=N#N,0.8035975193408172
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.30575847081033275
+COC(=O)c1ccc(cc1)C(=O)OC,0.24202268181855566
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.7753909303792965
+CONC(=O)Nc1ccc(cc1)Br,0.43930521392288224
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.2731186340841577
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.8233095122651519
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9557067452203205
+O=c1[nH][nH]c2c1cccc2,0.3229576843947477
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.08064643420650587
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.452705593191978
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.07196422504927574
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.11230466530623154
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.30339595719109236
+CCOP(=O)(N(C)C)C#N,0.2643941678520771
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.14974469000472898
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.23012622501434957
+Nc1ccc(c(c1Cl)Cl)Cl,0.697402158390597
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.8092944920447767
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.3962779170394016
+BrC(C1=C(Br)C(=O)OC1O)Br,0.7957268810508918
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9720071792541375
+Fc1ccc(c2c1ccc1c2nccc1)F,0.7890114135949018
+CC(NC(=O)Nc1ccccc1)C,0.08303238159344208
+ONc1ccccc1,0.353054225453991
+COc1ccccc1N,0.7165909354499801
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.21743534680522758
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.17778030422304897
+N[C@@H]1CCC[C@H](C1)N,0.09361660800855698
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8876606247015381
+COc1cc(F)ccc1[N+](=O)[O-],0.6775780311381262
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.32933348464798073
+OCCNCCO,0.31555454928610144
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.40111748618969323
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.06859689698548074
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.4753914850271141
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.0641073406514481
+Sc1nc2c(s1)cccc2,0.3915488343894571
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.8009320409204858
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.8119849921026354
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.6375142244456228
+O=NN1CCCCCCCCCCCC1,0.8254122805516093
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.41051416738281427
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.3808887864674302
+O=NN1CCCC[C@H]1C,0.7226767590439425
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.928975444401335
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.6104614123044476
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.12031078399041323
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.18378041384936503
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8410250566524753
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.24520940932630056
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8895510272422668
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.04623819898777187
+CNc1nc2c(n1C)ccc1c2cccn1,0.8901313911332042
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.0586894449525238
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.2444001185920559
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.3509626738729103
+C=C[Si](Cl)(Cl)C,0.1244255357034029
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.14615063629689642
+O1CCOCCOCCOCCOCCOCCOCC1,0.15765444859973302
+CSC(=O)c1cccc2c1snn2,0.6017078407755372
+OCC1CCCO1,0.3881418477293117
+ON1CN(Cl)CN(C1)Cl,0.4576209248773999
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.03772092841024708
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.3122517873087321
+CCCCOC(=O)c1cccc2c1nccc2,0.37166336766489183
+Nc1nc(N)c2c(n1)[nH]cn2,0.4660780837009508
+OCCN(C(C)(C)C)CCO,0.06898635079582245
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9175662449856639
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.15403381665515894
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.32184076085953617
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9795789143793059
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.834181986286123
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.35896226083979565
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.8822420116300445
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.9299124634952772
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.24559973162095164
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.13946742577329507
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9900816447693898
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8067422225144685
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.6815984339890041
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.24955179136154695
+Clc1ccc(c(c1)N)C,0.626621476150158
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.09407552266004994
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.731504825990464
+O=C1CC(=NN1c1ccccc1)C,0.536154070363772
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.8093955206588588
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.5884040664493458
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.3002456441688256
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.6438082398507389
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.1361659485103765
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8769626355321448
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.8495054330322991
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.8038357841333631
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8167865024317449
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.8455296060152185
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9737012192361453
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9759369055969832
+CN(c1[nH]cnc2-c1ncn2)C,0.4461174005168235
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.12000816557992798
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.5
+Clc1ccc(cc1)CC1OC1,0.6101247249254498
+Nc1cccc2c1c1ccccc1cc2,0.8963793945138631
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.06977733517534526
+OCC(C1OC(=O)C(=C1O)O)O,0.21767873621172856
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.47248240598364405
+COC(=O)c1ccccc1CS(=O)(=O)N,0.27254534241920114
+c1ccc(cc1)c1ccccc1c1ccccc1,0.40359134374759653
+CCOS(=O)(=O)c1ccc(cc1)C,0.22016968521008465
+COC(=O)c1ccccc1S(=O)(=O)N,0.3542310666336178
+C[N+](CC1OC1)(C)C,0.6592897410427975
+O=Nc1ccc(cc1)Nc1ccccc1,0.8968414936481516
+COC(=O)C12OC2(C)C(OC1=O)C,0.2432791483181155
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.1253526882219325
+ClCCNCCCl,0.7008197411805919
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.7369683532023754
+COc1nsc2c1ccc(c2)OCC1CO1,0.8563346078108872
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9685619182341109
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.47022783547894487
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8251369447927768
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9268203196397006
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.27130370111053415
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.5
+CC(CCOC(=O)CC(C)C)C,0.17101213501332005
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.5739290095347458
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.4599508687127821
+N#Cc1ccc(cc1)C,0.3636768859142058
+C[Si](O)(C)C,0.07931721060638638
+O=NN1CCC(=O)NC1=O,0.8092692442774689
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9711371336575001
+OCCCCO,0.1805047945740385
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.08738290973567875
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.10254594290992677
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.08350834748601052
+C=Cc1ccccn1,0.26551169241426403
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.1883408903645545
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.5957231567513521
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.24628326829421032
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6828337859544438
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8297505506980685
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.5898146686670699
+CC(C(C)(C)C)OP(=O)(F)C,0.07921805354167186
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8822981826675245
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.16548099610788358
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.42188339325718444
+Clc1ccc(cc1)C(=O)Cl,0.1891417920986131
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.19212912781685157
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.07400501953324744
+C/C=N\O,0.4882050027279719
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.26745664060157326
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.28990812945981254
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.933472615275895
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.829664704916884
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.7922203103997918
+CCOC(=O)N,0.4446367725893389
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.10324400357596977
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6972812718576403
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.6686681078367146
+CCOC(C)(C)C,0.13851542050420457
+CCCC[C@H](COCCCN)CC,0.21709504659287
+[O-][N+](=O)/C=C/c1ccccc1,0.8433820214998066
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.33189414605305567
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.10798722453453358
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.30339595719109236
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.8005827619362691
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8535327280681886
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.10996457308484732
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.7635895267843826
+C1CCCC2C(CC1)O2,0.3217561260300265
+Brc1cc2cccnc2c(c1)C(=O)O,0.15789781263344194
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.6501963903351479
+Clc1ccc(c(c1)N)N,0.7971478061082774
+O=C/C=C/c1ccccc1,0.45382701536938
+O=C1NS(=O)(=O)Cc2c1cccc2,0.1280890108420568
+Fc1cnc2c(c1)c(F)ccc2,0.5
+CC(=O)/C=C/c1ccco1,0.3640026809633655
+OCC(CO)(C)C,0.1442031212818264
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9301066649765404
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.1342113199172247
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8480650144533766
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.17854297661456056
+CCNC(=O)CC[C@@H](C(=O)O)N,0.35623748199762123
+c1ccc(cc1)c1ccccc1OCC1CO1,0.7252317575212547
+O=Cc1ccc(cc1)C,0.28668306485528905
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.4253463704174775
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.5601684555702163
+CCCCCCCC/C=C\CCCCCCCCN,0.2642665871869101
+CCCCCl,0.469068637048199
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9125574644659277
+OC(=O)COc1ccccc1,0.1389200378409559
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.2748140261929298
+CNc1ccc2c(c1C)nc(cn2)C,0.7147725429079955
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.190067281806106
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.9055569655773155
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.7869293225023895
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.21737042854782312
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.10942332014787091
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.2578255129710096
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.3778131017163801
+CN(C#N)N=O,0.8646910372597036
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.8935020035878098
+Cc1nnc(c(=O)n1N)c1ccccc1,0.8610674947139738
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.39050770924780137
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.2187220365028229
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.21843581686945265
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.2374531079182211
+Cn1sc(cc1=O)Cl,0.4468723226979906
+O=NN1CCCCCC1,0.81199183465193
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7715544477078564
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9297125669684781
+C=CC(=C)CCC=C(C)C,0.06187263993802978
+OCCP(=O)(O)O,0.07775955294207154
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.039395333115083135
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.06255677344137718
+Nc1ccc(c(c1)O)C,0.39321373808082033
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.5605502613035737
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.06753875503005431
+CON(C(=O)Nc1ccc(cc1)Br)C,0.49411348718386167
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.10822040417275268
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.33751585798840134
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9215706906307432
+CCCc1cc(O)nc(n1)S,0.05147055798414294
+Oc1ccc(cc1)C(=O)O,0.08412949102114352
+Oc1ccc2c(c1)cccn2,0.4497788816144338
+C=CCOC(=O)CC(C)C,0.13292900319027381
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.35835098871492427
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8153179787708222
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.23381405877689737
+ONc1ccccc1C,0.5
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9333408568308588
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.8911511564034124
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.16876546169539106
+ClC(=C)C=O,0.6343189604612595
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07437467276072428
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.1556360609709675
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.8683928276204352
+CC(=O)c1ccco1,0.2921810288309469
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.6363351283549344
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.2077798126313969
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9736538574020822
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9477684326990076
+CC1=CC(O)C2CC1C2(C)C,0.05470515845879301
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9791353272770638
+C[C@H](C(=O)Nc1ccccc1)Br,0.47398144086010585
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.2606043308232169
+OCN=N,0.6163348427166286
+COc1ccc(cc1)N,0.8225879414943721
+CCCC(=O)c1cc(O)c(cc1O)O,0.30131011797430557
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.06820589504316664
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.6086118964278975
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.8479650026707684
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.953253094786176
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.5478761712656626
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.8640348578542009
+OC[C@H](O)C,0.21559487574899633
+CCCCCCCCCCCl,0.17809464391081017
+CC1CCC2CC1C2(C)C,0.02957565823073994
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9595938308006635
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.8821865730506391
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.2589213985599304
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8642797164909783
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.8622126477481262
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.1427363510313095
+CCOC(=O)CNC(=O)CBr,0.6700998834420355
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.15403381665515894
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.09098672847484437
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.06858586317230943
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.8926436888073317
+Cc1nc2c(s1)cccc2,0.5792712060980483
+ClCCN(CCCl)C,0.5107245403858303
+Nc1ccc2c(c1)oc1c2cccc1,0.903737943559841
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.09681742471208056
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.06642144015083112
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9582587381347355
+CCCNc1snc2c1cccc2,0.5465697511235436
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.4698571228131818
+Oc1ccc(cc1)c1ccc(cc1C)N,0.7741873105258914
+CC1=CC[C@@H](CC1)C(=C)C,0.04032643261043658
+O=C=Nc1ccc(c(c1)N=C=O)C,0.7186542480901492
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8149782009914949
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.8204241853770241
+Clc1ccc(cc1N)C(F)(F)F,0.3234531740366505
+Oc1ncnc(n1)O,0.06556652770236626
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.6741010384192997
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.04462037032938497
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.23365539008331157
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.7019977049402041
+OC(=O)C1OC1C(=O)O,0.28639255166644106
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.8694469138112999
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.19293083630890556
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8978489827129713
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8718048080468968
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8976925784633337
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.15443681543190968
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.15956151361082802
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.5087570119241607
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.10716346414469931
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.04851015843582604
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.24323496971440792
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.1929599982808186
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.11081994730589322
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.1929182458536462
+O=CNc1ccccc1,0.1406816081460369
+Oc1ccc(cc1N)S(=O)(=O)C,0.27580497562996864
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6543872301893505
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.7445003065248158
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.10019274058167484
+O=C1C=C(N)c2c(C1=O)cccc2,0.7564016571803667
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7657409295381312
+Cc1cccc(c1)N,0.40774951454878533
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.44393896329501403
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.22240533208582278
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9215706906307432
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.2401625599060973
+BrCC(=O)c1ccc(cc1)Br,0.39222026383679537
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.8550823855267005
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.04976793355046295
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.8532565969841583
+Fc1cc2cccnc2c2c1cccc2,0.7523154515256785
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.11429512191024162
+N=C(Nc1ccccc1)Nc1ccccc1,0.1154780505211715
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.8362063600791557
+c1ccc(cc1)c1nc2c(o1)cccc2,0.3660125816082169
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9579925054151786
+O=c1cn[nH]c(=O)[nH]1,0.2272373227968282
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.4440937250883909
+ONc1ccc(cc1)[N+](=O)[O-],0.8096454534170947
+CS(=O)C,0.27906130158019066
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6035517416924541
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.09336230114380932
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.09367392316860229
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.8844011909155949
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.9611489102384904
+O=C1CCCCC1,0.1359393411824466
+CC1OC(C)OC(OC(O1)C)C,0.09149951179623735
+O=NC([N+](=O)[O-])(C)C,0.9241109262538473
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.9363241599019939
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.6942722679665883
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.12269532316598998
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.6139028177694645
+Clc1ccc(cc1)S(=O)C,0.24375929960094067
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.048185262339312515
+Oc1cccc(c1)Cl,0.09734445381532607
+C=CCN(CC=C)CC=C,0.3303794290918674
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.4124749256050829
+FC(C(Cl)(Cl)F)(Cl)Cl,0.1118671810283528
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.27431903035945987
+FC(n1c(C)n[nH]c1=O)F,0.6925637420675074
+O=C1C=CC(=O)O1,0.4616440746015501
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.7086447790836982
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.38964300255626694
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8764049535729593
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.2517469404753192
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.5
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.19322989856067943
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9850797233216163
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8883714819385454
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.8400679244458552
+O=C1C=C(O)c2c(C1=O)cccc2,0.42473947462783923
+O=C1NS(=O)(=O)c2c1cccc2,0.061108110735303006
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.8905752284342482
+O=NN(Cc1cccc(c1)Br)C,0.8955158084571412
+O=Cc1ccccc1C,0.1607639848989782
+ClCCN(C)C,0.5748808358461377
+C[Si](N=N#N)(C)C,0.5161208479203758
+CCCCCCCCCCCCc1ccccc1,0.06760947272636948
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8907281098262937
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.890318206840486
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9547261916644395
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.8129750866469528
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.11663940369416351
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.6441267920827654
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.1379858518181589
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9068722936462155
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.5508625015122522
+CNC(=O)O/N=C/C(SC)(C)C,0.3579748926144368
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9456381507648385
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.5778415708954303
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9400603964537992
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.8779737446518381
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7717440351719906
+Cc1ccc(cc1)OC[C@@H]1OC1,0.8285643492811521
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.6061297489447046
+CC(=O)Nc1ccc(cc1)O,0.29417622678527056
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.4435477740184997
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8372653460448117
+COc1ccc(cc1)CNC(=O)C(Br)C,0.5493375380952815
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.1651274018374943
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6043307198399367
+N#N=NCC1OC(O)C(C(C1O)O)O,0.592369361458196
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.903403035141196
+O=C1NOCC1(C)C,0.476295999947675
+OC(=O)c1ccccc1.[Na+],0.0604499792422263
+CC(C#N)C=C,0.12403214749646936
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.12557707181111993
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9635974038469147
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.24955179136154695
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.16207001042856092
+CCc1nccc(c1)C(=S)N,0.46232813555737085
+CCCC(=O)OCCC(C)C,0.24775070373689048
+CCCCC/C(=C\c1ccccc1)/C=O,0.3342679828760932
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8596598637506958
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.6518507535983816
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.8253835518090122
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.8058460460184865
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6672876179597174
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.0736268073151462
+O=C1CSC(=S)N1,0.3505594187078568
+CC(=O)c1cccn1[N+](=O)[O-],0.7828023548843459
+O=C(Nc1ccccc1)CC(=O)C,0.12214672048662471
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9261160403135762
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8742992230741243
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.17836489219048354
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.8825254303211357
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.4890991420015215
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.6005217252765536
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.3001031919621259
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.8659102062930826
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.5503462676000066
+Cc1ccc2c(c1)nn[nH]2,0.7536557163610386
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.8521769696210131
+OCc1ccnc2c1cccc2,0.515410275686432
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.4083439977226048
+COCCOC,0.15770633281552565
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.1404658317841885
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.5
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.4059107690996629
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.05090009426980451
+CNc1ccc2c(c1C)ncc(n2)C,0.8035407201202887
+NC(C(=O)O)Cc1ncn[nH]1,0.0725407571091003
+Cc1cccc(c1O)C,0.21044530921641222
+OC(=O)CCC(=O)O.[Na+],0.08700126653810351
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9095652514595989
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9453742689603414
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.8003921588046375
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.14511987487725259
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.9310874186368968
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8833986130598102
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.064605102602673
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.9222166676243018
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6051937281370523
+ONc1cccc(c1)C,0.5498386520699078
+Cn1cccc1,0.22762146743336606
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.6210137732308935
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9672905797354631
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9409790427282333
+Oc1nc(Cl)nc(n1)Cl,0.09676289525992021
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9561668337932471
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.8031972269306787
+CC1CCCO1,0.22957026410229447
+CNC[C@H](c1cccc(c1)O)O,0.23593282571811533
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8545944641200417
+O=Nc1cccc(c1)c1ccccc1,0.8343103823808394
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.08423136126550312
+Fc1ccccn1,0.0858306538077701
+OCCCCCl,0.7061556122850268
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.49216490481359376
+C=CC(=O)c1ccc2c(c1)OCO2,0.36649408037168213
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.12954005628561072
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.09587044495708279
+Cc1cccc(c1)O,0.09084736471930653
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.699748211337864
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9198912400700553
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.8860359193221514
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.895207370867482
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.06359608430761333
+OCCN(C(=O)N)N=O,0.7152776025144301
+Clc1nc2ccccc2nc1Cl,0.40426226062017767
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.2535072944463574
+O=C/C=C\c1ccccc1OC,0.3869944663220833
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9606217031610129
+c1ccc(cc1)N=Nc1ccccc1,0.7457585551479782
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.45234318982887634
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8779033365775191
+S=C=Nc1cccc2c1cccc2,0.7100954010593494
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.08110269847150779
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6865313578129197
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7324394887472109
+NC(=O)NCC(=O)O,0.33138509725084164
+N#N=NCCC(c1ccccc1)c1ccccc1,0.8130889535752037
+ClCc1ccc(cc1)C(F)(F)F,0.19057064446008512
+Nc1ccc(c(c1)C)C,0.5286392721643923
+Nc1ccc(cc1)N=Nc1ccccc1,0.9388821539741438
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.17678868894309469
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.3554544802282973
+Nc1cccc(c1)[N+](=O)[O-],0.8367475923108544
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.09098672847484437
+CNC(=O)NO,0.4210426201290938
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.1271808658940607
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.7652192813372121
+C1COC1=O,0.4081360355066445
+CCCc1ccc2c(c1)OCO2,0.4825005679177199
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.8891465308397357
+CC(COC(=O)C(=C)C)O,0.2620429964905837
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9503334164585142
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9176561653376185
+O=NN(c1ccccn1)C,0.719568673080419
+On1nnc2c1cccc2.O,0.5962212412020593
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.21449712463949216
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.35374728466048216
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.23029086855609768
+NCCCCCCN,0.39079514088613215
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.220286879383499
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.286714405431281
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.3205262057780887
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.7465217574645338
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.8260920233781566
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.829689926682438
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.8173854925378768
+O=CCCCC=O,0.4131127767155771
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.17230067945423733
+Clc1cc(Cl)c(c(c1)Cl)N,0.6321999316348723
+CC(COC(=O)C(=C)C)C,0.16821128862000928
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.2499556993746806
+NC(=O)N/N=C/C(=O)O,0.40933070434432356
+CCNc1nc(NCC)nc(n1)Cl,0.1045206113745699
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.3796485713282061
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9113236709091733
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.2955344506163954
+CN1C=CN(C1/C=N/O)CCOCC#C,0.48797290307076147
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.16521786966418975
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.8494837097330108
+N[C@@H](C(=O)O)Cc1ccccc1,0.15172121251613407
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.11495800923490125
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.23204101365347218
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.1472137557787725
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.8005074836478095
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.035373585219775974
+CCCCCNc1snc2c1cccc2,0.4784099526521522
+ClCC[N+](C)(C)C,0.2388032925879345
+Cc1ccco1,0.2322955875905349
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8522649704172682
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5679711146356996
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.3611631761387683
+OC(c1ccccc1)CN=N#N,0.7601812593665818
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.17836428372769428
+Clc1ccc(cc1)S(=O)O,0.1451606774447593
+CCS,0.2521353545008689
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.9267977593914274
+O=CN(c1cccc(c1)Cl)O,0.48863468408795707
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8096347562025388
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.27346542403283947
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7039995947833246
+CC(Br)Br,0.40393529924167926
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.21846034502836223
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9227941842220471
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9778159533531786
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.18031408535271934
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.8569241859058729
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5782959197381632
+ONc1ccccc1c1ccccc1,0.5343984882342763
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.5913379074345826
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.1790165085979255
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.6221260721334266
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8352688939470496
+OCC(C(c1ccccc1)N=N#N)O,0.5930903908798516
+O=NN1CCOCC1,0.8690796420796336
+O=NN1CCN([C@H](C1)C)N=O,0.8715565700848196
+c1cccnc1,0.16063543667787775
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.17746886370143092
+COc1cc(/C=C/C(=O)O)ccc1O,0.151071446369926
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8565790771236285
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.11130860685750905
+O=C(Nc1ccccc1C)CC(=O)C,0.1369551924928841
+CCCCCCCCCCCCN(N=O)C,0.7119249640015438
+OCc1ccc(cc1)OC(=O)C,0.15313624666163408
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.2188553815184621
+COc1cc(C=C)ccc1O,0.20712469047778867
+COc1ccc(ccc1=O)[N+](=O)[O-],0.8707347726265704
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.04306241163878313
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.13596191050773448
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.41888034550087244
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.12217636728004756
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.3910729357483596
+ClC[C@](CBr)(Br)C,0.7294912545472794
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9473332616872796
+Clc1ccc(c(c1)C(=O)O)Cl,0.09798528367380552
+CCOC(=O)CC(=O)C,0.12972706460131425
+CC1CCCC2(C1(O)CCCC2)C,0.06482451865374571
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.3348255718368759
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.7581697240183957
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9418448593445046
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.37855165901712257
+O=C1CCC(N1C)c1cccnc1,0.2291884814735243
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.17738628924767683
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.9357230240021408
+ClN1C2C1c1ccccc1-c1c2cccc1,0.8642797164909783
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.10515739363260898
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.3012482241608219
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9666623341041369
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.28612894939744893
+Fc1cnc2c(c1)cccc2,0.4695196637872836
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.7333173756213147
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.8016987466201227
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.562508857229174
+COc1ccc(cc1N)C,0.7108856438542452
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.20515099741227066
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.9168388300370809
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.26264479299525056
+Cn1c(N)nc2c1cc1ccccc1n2,0.8969284153796087
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.515500387299353
+CCC(=O)C=C,0.1575739130530025
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.12178300172565579
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.7947419325648352
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.12615041787843737
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7418085440337561
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.19212912781685157
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.21887649596848913
+Cc1ccc(cc1)O,0.1691176812395088
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9383254526822528
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8750222380398487
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.29079802258392284
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9258736763109425
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.46780753148553195
+N#CCC[C@H](C#N)C,0.22157385255843012
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.12251832182848157
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.28482158743249847
+C[C@@H](c1ccccc1)Br,0.2830203475417703
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.28422769131573455
+BrCC1=C(Cl)C(=O)OC1,0.8981404645915559
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8552185811203574
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.7010822861249105
+ClCCN(c1ccc(cc1)C)CCCl,0.5286263297170419
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.3745172096426662
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.5213422757141287
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.21068530170247773
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.8897123761710853
+O=C=Nc1cccc(c1C)N=C=O,0.5786211901717403
+O=C1c2ccccc2Cc2c1cccc2,0.4866030740409875
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.7641638581031476
+NNc1scc(n1)c1ccc(cc1)N,0.8803470873772608
+[O-][N+](=O)c1cnc(s1)N,0.8774651454398892
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.6503303174273745
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9564202764396492
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.07269921642432342
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.14522450470234796
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.8991584630339393
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.9188756999645844
+COc1cccc(c1)N,0.5299725297797278
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.0914769874040637
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.5904774467718741
+CCCCCCCCCCCCCCCCCCN,0.23767989276892146
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.7898258130218978
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.17823273515428392
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.11885529460879654
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.7055584582999616
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.6758250295181216
+COC1=CC(=O)C=CC1=O,0.3488234288735846
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9193895995514786
+CCSCCSP(=O)(OC)OC,0.36148959404443176
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.7792888228083021
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.8029685127522657
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.13228238082881263
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.15714623361651717
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.1235361555154831
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.7950770807320354
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.21743534680522758
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8882923368445921
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.16174935221390102
+OC(=O)c1ccccc1C(F)(F)F,0.06057946346338725
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.11426192714093648
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.14124058937222297
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.1588645838229188
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8636665137155566
+CN(c1nc(C)c(c(n1)O)C)C,0.1002526765646628
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.9127912695249155
+Clc1cnc2c(c1)cccc2,0.47073687375561807
+C=CC(=O)NC(CC(=O)C)(C)C,0.07157220089633824
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.20105238891038452
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9389473904916149
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.43948178871200805
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.5781127036629559
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.8704679552289203
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.8972108928125432
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.973873122945651
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.3221987352315954
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7942788079389669
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.5504822052306553
+C1CNCCO1,0.18919015114142476
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8682587474191608
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9034411529733003
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.7410097784636545
+CCCC[C@H](C=O)CC,0.13776122307815392
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.39387032476019346
+OC(=O)C(Oc1cccc2c1cccc2)C,0.3340002681943521
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.7880317301971276
+Cc1ccc2c(c1)nccc2,0.47632283360171646
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.5761696732446461
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.5
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.15679738166445414
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.18294902140783292
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9526564149679584
+BrCC1=C(Br)C(=O)OC1,0.8905783542945636
+CN(c1ccc(cc1)N(C)C)C,0.40597213423910145
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.1308998558768259
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.29243482515241354
+OC(=O)c1ccccc1O,0.06860697339579364
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.07683257881790766
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.728286755495042
+COc1nncc2c1cccc2,0.6993071175594316
+OC(=O)c1ccccc1C(=O)O,0.12792101099778685
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.6269843307346011
+COC(=O)c1sccc1S(=O)(=O)N,0.2599672954416785
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6449289139427078
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9126447107572475
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.07695600874238986
+CC(=O)OCC=C,0.1696362295848485
+CCCCN(CC(=O)C)N=O,0.8609646583172819
+CC(CC(=O)Nc1ccc(cc1)O)O,0.10535663078240862
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.6176346082970515
+OC(=O)c1sccc1S(=O)(=O)N,0.18519820330593237
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.6879834170780172
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.049953611863540616
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.5533929867539132
+CN(P(=O)(N(C)C)N(C)C)C,0.2181647693239676
+OCCc1c[nH]c2c1cccc2CC,0.4935448888539743
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8956237195208085
+CN[C@H](Cc1ccccc1)C,0.19618411648236792
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6124391524094746
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.8705488123012818
+CC[Si](CC)(Cl)Cl,0.10236291614579039
+N1C(=O)C(=N#N)C=NC1=O,0.5875099159988407
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.13238163846517478
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.246918232257381
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9524492045511456
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.9238063164414514
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.8839490543658608
+CC(c1ccc(c(c1)O)C)C,0.2366116674673322
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.1130981150833404
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.05319445080216107
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8947781364384839
+COCC=O,0.4141577496899779
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1467349771178711
+BrCc1ccccc1CBr,0.44460152275645926
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.06039172580653941
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.8571596042246696
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9159690436201114
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.08754325923935473
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8165208640123967
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5992049594234887
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.12977218424102896
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.8452067188723037
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.535566468336081
+Nc1ccc2c(-c3ccccc3C2)c1,0.8842452110303961
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.14089200077432426
+CCS(=O)CCSP(=O)(OC)OC,0.37927004050275775
+O=NN(c1ccncc1)C,0.6140149379564659
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.44230006227607743
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.7730360897045282
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.1693382294428131
+C1COCCS1,0.17520769599775005
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.29392995931061433
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.051724704119639656
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.8340030370392852
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8462579026378928
+ClCC(=O)NCc1ccccc1,0.6272215516915185
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.16351006512685562
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8805249513017576
+CCC(=C)C=O,0.20278756320181657
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.059730431216062176
+BrCCC(Br)Br,0.5370443449858475
+ONc1nc(N)nc2c1[nH]cn2,0.5
+C1CC2OC2CCC2C1O2,0.39962060747191885
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.6743859270299576
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7039313428594869
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.2013797553816086
+C=Cc1cccnc1,0.11344896268321607
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.179402675082017
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.50717112729903
+C[C@@H](ON=O)CC,0.806415658398037
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.33165194205869003
+COC(=O)c1ccccc1C(=O)OC,0.22656480341226987
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.2609640600217957
+Cc1ccc2c(c1)c(N)sn2,0.8244903043767575
+[O-]P(=O)(OC)O,0.32290221088174453
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9871808848896165
+C1O[C@H]1C=O,0.9099123075604328
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.7246040404845494
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.6358824636835232
+NC(=S)N,0.2930052821535992
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.14002693715479808
+CC[C@H]([C@@H](CO)C)C,0.08999697566700693
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.16927839490121915
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.12145899655341284
+[O-][N+](=O)[C@@H](CC)Cl,0.9231340809606751
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9205026020537849
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.2069431555504082
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9676096441009331
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.13238163846517478
+[O-][N+](=O)c1ccccc1O,0.5874552926003571
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.06121563552806327
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8702170898474756
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9028654903273382
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.9203886951363159
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.8228766759855362
+Nc1cccc2c1cccn2,0.5501582787513497
+O=C/C(=C(/C(=O)O)\Br)/Br,0.2920393916617083
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.64686747093954
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.37366172007185483
+[N-]=[N+]=NCc1ccccc1,0.8879278348421449
+O=C1C=C(O)c2c(C1=O)cccc2,0.31616470491288207
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.2490502627728593
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.1180350488361808
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.5683379483227853
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.16935458241695134
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.9405662476264026
+CCCCCN(CCCCC)CCCCC,0.1829830839114908
+Oc1ccc2c(c1)oc(=O)cc2C,0.20277841534022029
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.6291256080844492
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.0951327370774895
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.6389566117411914
+Nc1nc2c(n1C)ccc1c2cccn1,0.8971907083973478
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.7938261799367079
+COc1ccc(c(c1)C(C)(C)C)O,0.13941874123531325
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.9178583665944325
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.10429815238206612
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.25138906174505116
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.09594953942077958
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7470717150039347
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6487158101371059
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.4377198521494698
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.44101890994038173
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.29082631549047805
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9144979174907846
+O=CC(=O)c1ccccc1,0.30139490292165233
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.6522636413631288
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.513802516923725
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.43173785680245247
+OC(=O)c1ccccc1,0.06904710083082108
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9648158296519229
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.4891417433775042
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9442033087117189
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.7650218948596069
+Cc1ccc2c(c1C)cccc2,0.6262957563705182
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9643154530398416
+c1ccc2c(c1)c1ccccc1cc2,0.8164339620946819
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.07903927120915115
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8387422511695654
+SCc1ccccc1,0.1626173869462538
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.6691923416295362
+OC1c2ccccc2Oc2c1cccc2,0.38661393338539113
+ClCCCCN(COC(=O)C)N=O,0.9310776142622829
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9724446940008072
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9138625587924759
+Cc1cnc(c(n1)C)C,0.20444873271518296
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.165589959082165
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.5929153879843597
+ClCC(=O)N(c1snc2c1cccc2)C,0.6802064572328562
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.0572075541496778
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.8497357546332409
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.6641327147113179
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.8698513047207169
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9761365600012752
+OC(=O)c1cccc(c1)C(=O)O,0.11090445451457642
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9301996356950779
+Nc1ccccc1c1ccccc1,0.6622764501894215
+O=NN(c1ccccc1)COC(=O)C,0.8251854440156108
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.0951327370774895
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.11164667015387776
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4797773980899887
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8515103492726637
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7498318026697787
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9216378583371182
+OCCN(CCO)C,0.1268650847022249
+Sc1[nH]cnc2-c1ncn2,0.24686545962032325
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7688557582674539
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.21134293681353486
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9813802124586593
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.42885526368070587
+Nc1cccc2c1snc2,0.5937921258300201
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.8229582813549557
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.06203421478161502
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.32273007184706
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.39899573235267166
+O=Nc1c(CC)cccc1CC,0.6042849467973201
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.46933535529158016
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9325231755692983
+ONc1ccc(cc1)N=O,0.863812580932924
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9617514041774974
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.6537364137920093
+O=c1cc(n(n1c1ccccc1)C)C,0.3760075668066159
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.7678126805955702
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.16266825452636488
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.11155624786800776
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.04530631908185728
+COc1cc(N)ccc1NC(=O)C,0.43994029572820176
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.32166598569816
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.7422443769884549
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.7815624410170693
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.24145059322716952
+N#C[Se]Cc1ccccc1,0.6219973360183082
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.060050512057801375
+C=CC=O,0.5287377685236684
+CCN(C#N)N=O,0.7957105488404088
+ClC(=O)c1ccccc1C,0.22165350297370412
+ONc1ccc(cc1)C(=O)C,0.6625638239042704
+Cc1cccc2-c3c(C(c12)C)cccc3,0.5848871350939713
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.18202452172313727
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.35707637323377067
+Cn1c(N)nc2c1c1cccnc1cc2,0.920016528047337
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.2866491775016174
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7005904920585744
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.349788946884281
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.26499318264861094
+c1ccc(cc1)N/N=N/c1ccccc1,0.8004960303186561
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9782596821356638
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.13738768721762534
+n1ccncc1,0.09281141222928782
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.17518155987903294
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.3668959641742708
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.7910797512675176
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.6514194696550603
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.7419024666310504
+CNC(=O)ON=C(SC)C,0.6482455622555401
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.2067798208666878
+Oc1ccnc(n1)O,0.0763731722407249
+CC(NC(C)C)C,0.11860713398469644
+COC[C@H]1CO1,0.8011003464246504
+CC(c1ccccc1)Br,0.25160988999843087
+O=CC(=C(C)C)Cl,0.35892217802356735
+CCCC(C(=O)O)CCC,0.035299264542748524
+CCCCCCCCBr,0.208268793073436
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.10953228301618614
+NCCCl,0.8815768521229961
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.8241246565617565
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.08496516090786034
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.1356950327239505
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9895555978917971
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.9162754112395213
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.41092778252599466
+O1CC1Oc1ccccc1,0.4364406633753853
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.09000209242967303
+CC(C(C)C)C,0.06360145474865911
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.1609957735262464
+ONc1ccc(cc1)N=Nc1ccccc1,0.8853210256203811
+CCCCN(CCCC(=O)O)N=O,0.7523010656219796
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.36486779072563724
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.18094494820517967
+O=NN(C(=O)c1c(NC)ncn1C)C,0.6672850221081138
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9748338923150283
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.13410300038420794
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.8531335209396456
+BrC(=C)C(=O)O,0.1768783615435884
+OC(=O)c1ccc(cc1)N,0.26044512660873226
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9367903017002278
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.796179562588607
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.8235613134033252
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.6842854064108213
+Clc1ccc(c(c1Cl)O)Cl,0.10156959848043716
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.866367359206472
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9582939794648828
+O=C(c1ccccc1O)Oc1ccccc1,0.191619160213595
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.27421850434951783
+NC(=O)Nc1ccc(cc1)C,0.48633868955837023
+ONc1cnc2c(c1)nc1n2cccc1,0.8466136376533951
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.745950626829569
+COc1ccc(cc1)O,0.3531334213926422
+Nc1ccc2c(n1)cccc2,0.7882379329104566
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.1895692509358248
+BrCC(=O)N(Cc1ccccc1)C,0.5441176446053062
+CCCCNCC,0.10451713702745262
+Nc1cc2nc3ccccc3nc2cc1N,0.9622871378015952
+CCCCCCCCCCCCO,0.10907662604784372
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.49073792506523445
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.12256782303451923
+COP(=O)(SC)OC,0.35846124838705407
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.8015778120777707
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.6947809211065653
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9777522357426336
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.617529793726518
+Nc1ccc(cc1)Br,0.6881120715355014
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.833070442123513
+O1CCOCCOc2c(OCCOCC1)cccc2,0.39146406690138225
+N#CC(=Cc1ccccc1Cl)C#N,0.44842791224190315
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.6198568405402851
+ONc1ccc(cc1)Cl,0.5515646827949465
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.17922550443802143
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9693424034663445
+O=C1C=CC(=[N+]=[N-])C=C1,0.6247151524689495
+Clc1ccccc1C(F)(F)F,0.10866705677484409
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8646481972519843
+Clc1ccccc1,0.16239360195740665
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.5959195284709271
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9776614813385182
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.3856436368267951
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.9266488090089469
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.13137414735197414
+C[N+](Cc1ccccc1)(C)C.Cl,0.08024878013308409
+Clc1cccc(c1)Br,0.1282378241292841
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.11528512366513592
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.6311682691406368
+BrCC=C,0.7309653242614857
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.07728918669709456
+CCCCCCOC(=O)c1ccccc1,0.14366096873172676
+[O-][n+]1c2ccccc2nc2c1cccc2,0.880657294975991
+Cc1ccc(o1)C,0.1402680159720457
+O=C/C=C/c1ccco1,0.4030856205523266
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.3798278634943686
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.2713511218941633
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.1390436074882181
+Cc1ccccc1O,0.18829123974829534
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9040770278935957
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6091438812196311
+Cc1cncc(n1)C,0.14435116681044857
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.7206344334437392
+N#C/C=C/C#N,0.2308954690987613
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.7527755308705785
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.8994294639909175
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.8468470127870199
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.1692333090856796
+n1ccc2c(c1)cnnc2,0.24817436900259554
+O=Nc1cc2OCOc2cc1O,0.5416773007079028
+OCC=C(CCC=C(C)C)C,0.12807448492088902
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.618804501988999
+CC/C=C\C#N,0.35871880630919867
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.1125198852861227
+OCNC(=O)C=C,0.20090864299699712
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.4517011839525478
+ClC(=O)c1ccccc1Cl,0.22454210095695024
+NC(=S)Nc1cccc2c1cccc2,0.8450345128350552
+O=C([C@@H]1OC1)Nc1ccccc1,0.7577579391075716
+COc1cc(ccc1O)CC1CO1,0.6236768916611884
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.8956994145441785
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.059655896484491225
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.3487561530455639
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.20884441817025687
+OCc1ccc(cc1)C(F)(F)F,0.1437397415993652
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.07422812370819337
+CO[P@](=O)(NC(=O)C)SC,0.34718683642769504
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.8216688753707097
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.18754393694123753
+OC(=O)c1cccc(c1N)O,0.3925857909477473
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.3326939460819824
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7290958406356413
+CN(CC(=O)O)C.Cl,0.11625363132909161
+O=NN(c1ccccc1)c1ccccc1,0.7238167954059805
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5572008199133912
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.13170343872754134
+Sc1nc2c([nH]1)cccc2,0.22225080406310993
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9395286754245107
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.1359055645253537
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.04546388694936217
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.9061139116893105
+CC/C=C/CC/C=C/C=O,0.2932814806473556
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.44857885810640347
+CCC(c1ccc(cc1)O)(C)C,0.09324744001808352
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.19649588606748913
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.12622114388858197
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.727052168650634
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.21610963074765882
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.8533241387344355
+CC(C[C@H](N)C)C,0.13348206587057046
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.5127015942112455
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.07562289157676426
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.44304337091721774
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8063381376112597
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.5998914415975217
+O[C@@H]1COC(=C(C1=O)O)C,0.15599362537266967
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.20746026433514503
+CC(=O)N,0.1955860484740149
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.5151562183650504
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.8120978634611238
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.3850656495236829
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.7212976467741625
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.20293492730615872
+ClCCN(C(=O)NCC(=O)N)N=O,0.9519875852827779
+O=C/C(=C/c1ccccc1)/C,0.3430261792791594
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.03228136457158768
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.19733479881955268
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.8695740574631432
+COC(=O)c1ccccc1N,0.41844148345149174
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.815697883535496
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8359808620253276
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.5185140269926968
+COc1ccc(c(c1)OC)N.Cl,0.7038407756409194
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.6597611171658148
+CC(=O)OCN([N+](=O)[O-])C,0.7700774183649421
+C1CCOCO1,0.16907124253358355
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8723781038080277
+NC(=S)NCC=C,0.4578969387373597
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.6679565640491023
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8810236823693675
+C([C@@H]1OC1)Cc1ccccc1,0.8421186855797738
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9054891132054333
+CCCCCCCCCCCC(=O)O,0.0557724673346561
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.16768203450400818
+Clc1cc(Cl)nc(n1)N,0.24399766972494735
+C1CCSCS1,0.11960335062938306
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.85164944664666
+Nc1ccccc1N,0.6389905980483176
+O=c1nc[nH]c(=O)[nH]1,0.294470185764161
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.8892869071327912
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9211005376604777
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.09255483648067374
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9371157835923084
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.23721726632550344
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.2617640045430222
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.7541011696257511
+N1CC1,0.34035818002624096
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.10816446376963067
+CCN(N=O)CC,0.807970056787456
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.10456444461912968
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.2537773502307986
+Clc1nnc(c(c1)O)c1ccccc1,0.15021499167740368
+Cl[C@H]1O[C@H]1CBr,0.9648372030272072
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.8436528968435426
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.2333558737599733
+Clc1ccccc1S(=O)(=O)N,0.19342400356823167
+CC(=O)Nc1ccc2c(c1)nccc2,0.33843696807881407
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.8836851521350516
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.8127380814812648
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9355148749406694
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6671423300251702
+ClC(=O)OCc1ccccc1,0.3475022755382322
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.9376844965984824
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.8627225076980843
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.24212983834080634
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.3326939460819824
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.685284396418747
+Oc1ccc(c2c1cccc2)O,0.4414944391085089
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9626373887833987
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.09322142087595123
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.8945119079785552
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.7065262896714497
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7952384814764983
+BrN1C(=O)CCC1=O,0.6237711245654775
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.3033999965362668
+C(Sc1ccccc1)CSc1ccccc1,0.29825764320067866
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.3957249423354665
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.37474599785764856
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.05996987952639941
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.08052914732325557
+S=C(NC1CCCCC1)NC1CCCCC1,0.19897995416571376
+C[n+]1c2ccccc2nc2c1cccc2,0.83971867747315
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.9083374215111993
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.09716378881611835
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.06162735660731369
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.11618231707577889
+ClC(=O)c1ccccc1F,0.19420108906347494
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.32781293838591796
+C=CCCCC[C@@H]1OC1,0.6570185354247626
+Clc1ccc2c(c1)c(N)sn2,0.7615847053131553
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.04703742387778038
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.2467077557933812
+CCCCN(CCCC)CCO,0.09075972654248066
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.7261486095656009
+O=C1CC[C@H](N1C)c1cccnc1,0.23997548789707163
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.1222386845932567
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.1390436074882181
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.8480893991190072
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.9188246056996746
+Clc1nncc2c1cncc2,0.39018700923023536
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9825132721399548
+[O-][N+](=O)c1cccc(c1O)N,0.8733211322667972
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.14226637218477814
+Oc1cc(Cl)c(cc1Cl)O,0.1880815102958465
+CCCC(=O)C,0.14997167169805675
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.7715003385893247
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.8835408444035571
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.6385495022259996
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.5825485649255203
+CCCO,0.20767047661641352
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8988203532257387
+C1CCC=CC1,0.08497244973735095
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.8975780263144384
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.6380058990809655
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.13673452812685508
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9058164592209687
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8411095708601971
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.7681074432935519
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.808343885157304
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.4891987172465573
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.4047971007540134
+CC[C@H](OS(=O)(=O)C)C,0.20910362046135833
+Oc1ccc(c(c1)C)C,0.16939225211101586
+CC(C(=O)N)Br,0.6413260020801123
+COCCOC(=O)C=C,0.23050692782437882
+CCCC/C=C/C=O,0.2990693014434818
+Nc1ccc(cc1)CCc1ccccc1,0.647551194251752
+NCCNCCNCCN,0.5059042501802044
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.8279713168814534
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9711119611154911
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.18207168347327812
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.6482273203370963
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.44274566080342526
+n1ccc(cc1)c1ccncc1,0.23340438827635196
+NC(=N)N,0.15691113599306505
+O=CC(C)C,0.5084260397245979
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.042530813978694355
+CC(=O)Nc1cccc2c1cccn2,0.2995279946707488
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.8858169651353436
+OC/C=C(\CCC=C(C)C)/C,0.12807448492088902
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.5540104551688666
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.8064600845369579
+O=Nc1ccccc1C,0.7549281827969756
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.7894462172550248
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.17825201612444644
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.465635597270183
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.980143026497343
+OCc1c2ccccc2cc2c1cccc2,0.7479158726977161
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.5550616375717188
+CCCOO,0.5566354346491278
+Cc1ccc(cc1)Cl,0.1820333730388373
+COc1cc(N)cc(c1N)OC,0.5282327815563413
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.8665230691701168
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.78235702099977
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5315842088745703
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.40907299178253304
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.2229857953333764
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.20727714486066262
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.07198512446740274
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.926074907076578
+CCCCOS(=O)(=O)C,0.20724846488592602
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.10837188858754991
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7859033143265951
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.904851283282979
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.827805842834146
+ClC(C(=O)C)Cl,0.8517930744389182
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.9073291526516494
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.10223098989164087
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.8077811215234793
+Clc1c(O)cccc1Cl,0.14919848671847438
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8724791015568032
+C/C=C\C=C/C(=O)O,0.18523776092357985
+COC(C(Cl)Cl)(F)F,0.49027551672602737
+OCCCCN(CCO)N=O,0.8822481395684367
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.08565111337428577
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.114478362991667
+CN(/C=N/c1ccc(cc1C)Cl)C,0.6429147866327627
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.4114864687244851
+O=NN1CCCCCCC1,0.8948987334579651
+CCN(/C(=N/O)/C=O)N=O,0.8451207454510127
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.4287621645702937
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.2764837615830637
+Nc1nc2c(n1C)ccc1c2nccc1,0.9280502632042821
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.48315202716567823
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.9006104860719443
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.867007054994283
+Clc1ccc(cc1)[S@](=O)C,0.23477507758940086
+Fc1ccc2c(c1)c1ncccc1cc2,0.8402224482006131
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.1324205991716546
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.3802868338505068
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.3030380887806387
+CCOS(=O)(=O)C,0.32757748216081056
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.8480276363691706
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.14109715275287946
+O=c1[nH]cc(cc1N)c1ccncc1,0.4828115947531694
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9168515184143955
+Nc1cccc2c1-c1ccccc1C2,0.714151524773662
+CCCCCCCC(=O)O,0.06581047388390507
+Cc1c[nH]cn1,0.17202407080612245
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.9316597764686807
+CCCCOCCOCCOCCCC,0.10688933781776706
+COc1c2oc(=O)ccc2cc2c1occ2,0.6925254984417362
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9132396935006223
+OCC(C(C(C(C=O)O)O)O)O,0.21428590290218721
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.8774481570331607
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.14320530198680712
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9209295801710313
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.1911724210808867
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.2223626276818509
+N1C2C1c1cscc1-c1c2csc1,0.8464777122273269
+[O-][N+](=O)c1ccccc1C(=O)C,0.7965752673051434
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.6213966952865045
+CCCCNCCCC,0.19052181041502889
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.8811741397157327
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.6802696589918144
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.21709893461721716
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9416044441601521
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.043529927174547185
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.16425702029996028
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8456322615072065
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8674093268889101
+Cn1nc(c(c1)C(=O)O)C(F)F,0.2896781501769329
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.0997257667327624
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.5079998584019357
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.674534757232724
+O=CC=CNCCCCC(C(=O)O)N,0.24677561209366425
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.912939160937863
+CC(=O)Nc1cccc(c1C(=O)O)N,0.3040974988658021
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.16930359642824472
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.6032057583648914
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9737502602966891
+CC(=C)C(=O)OC(C)(C)C,0.1334113982782114
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9710004594097549
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.03353967603351168
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.8908041576388961
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.9125785310755876
+S(Cc1ccccc1)Cc1ccccc1,0.46887808032067113
+ONc1ccc(cc1C)C,0.5701556837587393
+Nc1scc(n1)c1cccnc1,0.6105792657681149
+NN(c1ccccc1)c1ccccc1,0.8169251452768391
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.15150701462339325
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.31748918888457006
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.1713722144695859
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.877325644170185
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.14125437063355045
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.12433750909518981
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.6735305489702149
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.15090022879975049
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.2347295893426672
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.09603031062033598
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.1592795681717623
+OC/C(=C(/CO)\Br)/Br,0.3808472745554819
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9768951443253784
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.16144267220831512
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6088906627169275
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.2813242707998436
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.061432249034479774
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.25338718511804015
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.21159743034830256
+CCOc1cccc(c1)[N+](=O)[O-],0.8356067375197146
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.8251035958735096
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.4126956755108593
+ONc1cccc(c1C)C,0.5486238591088933
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.06562556902785889
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.4568345108305481
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.12530000954633885
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.8617645840667345
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.1789449571266633
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.8751922033070061
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.6660937755776416
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.42843546206672734
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.21240392526690544
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.3986544613706463
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.08237587229827996
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.7680410589082309
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.8246520963371844
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.19113946148034555
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.4744892931095054
+NC(=S)NNC(=S)N,0.6751161459397642
+ClCCCl,0.36303533143232813
+O=C(c1ccccc1N)OC1CCCCC1,0.18660585903858976
+CC(OC)CCO,0.12054485303284669
+c1ccc(cc1)NN=Nc1ccccc1,0.8004960303186561
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9303917912654309
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.8315931326041154
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.2725172191359072
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8853379439301633
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.88922953018863
+NC(=O)OC1CO1,0.7344140586321237
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.972223446874927
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.19538025047007113
+CN(CCN(C)C)C,0.1510899229420873
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9786915617332326
+Cc1c[nH]c(=S)[nH]c1=O,0.300301392991777
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.8350261492471944
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.1213042607595737
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9769212035544854
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.21440951716059387
+ClCC(=O)c1ccccc1,0.578381505070239
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8382012850987574
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.07674064956789504
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.44404029284344787
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.895204627325063
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.08803870149793531
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.03495585422835857
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.5070895440242821
+CNc1ccccc1,0.2651163393546525
+CC(=O)NNC(=O)c1ccccn1,0.2704726354750634
+N#Cc1cccc2c1nccc2,0.5614934003291188
+Cc1cccc(c1N)C,0.537858521115676
+c1ccc2c(c1)[nH]nn2,0.4614459346168683
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9562034236182705
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.21775984472885784
+CSC(/C=N/O)(C)C,0.39961733396221455
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.18690732600821286
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.2814231746354543
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.36283909617420307
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.0386784076400198
+ClC1OC1CBr,0.9648372030272072
+CN[C@@H]([C@H](c1ccccc1)O)C,0.15888919097545673
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.7703636551984883
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.16927839490121915
+OCc1cccc(c1)[N+](=O)[O-],0.720823711207767
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.8257280852980636
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.5183025178169605
+NC(=O)O[C@H]1CO1,0.7344140586321237
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.36462279040411033
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.8497649889225858
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.6345465633856654
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.6643795213130366
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.859540109075574
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.16618663197896932
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5293679613272062
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.06923800338955585
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.40695900264435725
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.3504510034278581
+NC(C(=O)O)Cc1ccccc1,0.15080811325826565
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.9309859066470701
+Cc1nsc(c1)N,0.33019131801945717
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.31036892159648444
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5927817260396093
+CNC(=O)Oc1cccc2c1cccc2,0.5669437178386887
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.804223640571991
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.6669445370162218
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.2738197089256181
+Nc1cc2ccccc2cc1N,0.8950039062446902
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.7176655609431988
+NC(C(S)(C)C)C(=O)O,0.11889416054065502
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8948885988615068
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.6548267218656096
+ClCC(C(Br)(C)C)Br,0.24470959037912224
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.7979052872587156
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.09587201257667802
+CCOC(=O)C(CS)N,0.2485561275398913
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.1629877994718182
+Oc1c(O)cccc1O,0.24022557765730265
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.1691846382868152
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.6362388150122973
+Clc1cccc(c1NC1=NCCN1)Cl,0.4614389474587416
+Clc1ccc(c(c1)O)Cl,0.11365400974386873
+C=C[C@H]1CO1,0.7691500429594224
+CCN(C(=O)Cc1ccccc1)CC,0.2555796076721688
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9032288114728053
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.16600118743171202
+S1CCSCC1,0.06480864921873314
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7050530794970863
+CNC(=O)N(C(=O)NC)O,0.2682516786905378
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.023992263679864973
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9003181899751813
+Nc1nc(nc(n1)O)NC(C)(C)C,0.08734116947811317
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9264007311067559
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.5665823065255049
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8976841952256011
+OCC(COP(=O)(O)O)O,0.16915266778409893
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.08607562334266569
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.06360023354882097
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.060060100310117596
+CCCCCCCCCCCCCCCCCCO,0.08998522320064731
+Cc1cc(C)cc(c1)C,0.043675654239766284
+OC(=O)CCN[N+](C)(C)C,0.10493968075414682
+CC1=CCC(CC1)C(O)(C)C,0.060385961922905684
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9695858601808439
+O(Cc1cccc2c1cccc2)CC1CO1,0.912939160937863
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.9024811507064997
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7235441629329312
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.3484391716670493
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.06269891136198275
+Nc1ccccc1,0.38406388839966027
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.16560066633316403
+CCCCC,0.07435716389833377
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7485836234297276
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.8810680964502257
+O=NOC(C)(C)C,0.6457678800870527
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.2170508394527859
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.08933041188747669
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.5383618778607419
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.08706941705184801
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.36283909617420307
+CCOC(=O)c1cccc2c1nccc2,0.420436837603033
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6245132186316796
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.09268379818282636
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.5
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.11455618595403573
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.25283884151786057
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.7309688125801913
+O=NN1CCC[C@@H](C1)O,0.8577419308710367
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.12895226536000629
+CCCCCCCCn1sccc1=O,0.25397457882824853
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.8607218608277994
+CCCCBr,0.43619355165350326
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.467122225004457
+O=NN(Cc1ccc(cc1)C)C,0.837740659493091
+CCCCOC(=O)c1ccc(cc1)O,0.12325854629863496
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.2137573431315739
+OCCNC(=O)[C@H](O)C,0.3426192729926433
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.8638894147994486
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.2233942274679818
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.2678283540245713
+[O-][N+](=O)c1ccccc1c1ccccc1,0.8506056907484079
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.26718301679275364
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.9260894672313333
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9585795224967903
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.6812132447888263
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.10339988550697059
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.5976149003143143
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7008546627836205
+ClNc1nc(NCl)nc(n1)NCl,0.20973106016520848
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.24974445808275317
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9291340480072585
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.17555852823569074
+CC(=O)Nc1ccc(cc1)C(=O)O,0.1713232819930995
+Nc1ccc2-c3c(Cc2c1)cccc3,0.9010409843389632
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.8662932664980756
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9045417485334049
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.42963426856617426
+CCCCN(C[C@@H](CCO)O)N=O,0.7687777393727417
+ClC=C(C)C,0.6906547049430284
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.11968203111844256
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.2266875079870224
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.14329854744907802
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.9056572279033688
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9627874150868327
+OCCS,0.35363029826468717
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.10218916051821549
+O=Cc1ccc(cc1Cl)Cl,0.18009558360036806
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.21493795069012556
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.6272255747890085
+NC(=O)c1ccccc1O,0.20227935711321798
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.1507699537347048
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.13029581652356945
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.3335698612163076
+CNCC(=O)O,0.19502204027803233
+O=C1c2ccccc2CCc2c1cccc2,0.27621208298110655
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9673372850183412
diff --git a/crossvalidations/cdk/tensorflow/prediction-v5.ipynb b/crossvalidations/cdk/tensorflow/prediction-v5.ipynb
new file mode 100644
index 0000000..a860500
--- /dev/null
+++ b/crossvalidations/cdk/tensorflow/prediction-v5.ipynb
@@ -0,0 +1,11615 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Using TensorFlow backend.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from keras import optimizers, regularizers\n",
+    "from keras.layers import Dense, Dropout, Input\n",
+    "from keras.models import Model, Sequential\n",
+    "from random import shuffle\n",
+    "from scipy import interp\n",
+    "from sklearn.linear_model import LogisticRegression\n",
+    "from scipy.stats.mstats import gmean\n",
+    "from sklearn.ensemble import RandomForestClassifier\n",
+    "from sklearn.metrics import roc_curve, auc\n",
+    "from sklearn.model_selection import StratifiedKFold, train_test_split\n",
+    "from sklearn.preprocessing import QuantileTransformer\n",
+    "import contextlib\n",
+    "import glob\n",
+    "import gzip\n",
+    "import h5py\n",
+    "import keras\n",
+    "import numpy as np\n",
+    "import os\n",
+    "import pandas as pd\n",
+    "import pylab as plt\n",
+    "import random\n",
+    "import scipy\n",
+    "import sklearn\n",
+    "import tensorflow as tf\n",
+    "from sklearn.ensemble import RandomForestClassifier\n",
+    "from sklearn.datasets import make_classification\n",
+    "from sklearn.svm import SVC\n",
+    "\n",
+    "\n",
+    "random_state = np.random.RandomState(0)\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "\"X_f = '/home/drewe/notebooks/genotox/GenoTox-database.csv'\\ny_f = '/home/drewe/notebooks/genotox/outcome-mod-2.csv'\\n\\nX = pd.read_csv(X_f).values[:,:-1]\\ny = pd.read_csv(y_f).values\\n\\n\\nix = [i for i in range(y.shape[0])]\\nshuffle(ix)\\nX  = X[ix, :]\\ny = y[ix]\\nnames = pd.read_csv(X_f)['Unnamed: 0'][ix].values\\nX = sklearn.preprocessing.quantile_transform(X, axis=1, output_distribution='uniform', copy=True)\\ny = y[: ,0]\\n\""
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "'''X_f = '/home/drewe/notebooks/genotox/GenoTox-database.csv'\n",
+    "y_f = '/home/drewe/notebooks/genotox/outcome-mod-2.csv'\n",
+    "\n",
+    "X = pd.read_csv(X_f).values[:,:-1]\n",
+    "y = pd.read_csv(y_f).values\n",
+    "\n",
+    "\n",
+    "ix = [i for i in range(y.shape[0])]\n",
+    "shuffle(ix)\n",
+    "X  = X[ix, :]\n",
+    "y = y[ix]\n",
+    "names = pd.read_csv(X_f)['Unnamed: 0'][ix].values\n",
+    "X = sklearn.preprocessing.quantile_transform(X, axis=1, output_distribution='uniform', copy=True)\n",
+    "y = y[: ,0]\n",
+    "'''\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "X_f_ext = '/home/drewe/notebooks/genotox/mutagenicity-fingerprints.csv'\n",
+    "\n",
+    "X = pd.read_csv(X_f_ext,sep=',')\n",
+    "X['Mutagenicity_bin'] = np.int32(X['Mutagenicity'] == 'mutagenic')\n",
+    "del X['Mutagenicity']\n",
+    "\n",
+    "X_f_ext = '/home/drewe/notebooks/genotox/mutagenicity-mod-2.csv'\n",
+    "\n",
+    "X_ext = pd.read_csv(X_f_ext,sep=';')\n",
+    "\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "X = pd.merge(X[['Canonical SMILES','Mutagenicity_bin']], X_ext, left_on='Canonical SMILES', right_on='Name')\n",
+    "y = X['Mutagenicity_bin'].values\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [],
+   "source": [
+    "#X.to_csv('/home/drewe/notebooks/genotox/mutagenicity-mod-2.new.csv')\n",
+    "#X.set_index('Canonical SMILES').to_csv('/home/drewe/notebooks/genotox/mutagenicity-mod-2.new.csv')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "del X['Mutagenicity_bin']\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "names = X['Name'].values\n",
+    "del X['Name']\n",
+    "\n",
+    "X = np.float64(X.values[:,1:])\n",
+    "\n",
+    "ix = [i for i in range(y.shape[0])]\n",
+    "shuffle(ix)\n",
+    "X  = X[ix, :]\n",
+    "names = names[ix]\n",
+    "y = y[ix]\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "X = sklearn.preprocessing.quantile_transform(X, axis=1, output_distribution='uniform', copy=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(8083, 1442)"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "X.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 42us/step - loss: 0.4451 - acc: 0.7986\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4496 - acc: 0.7961\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4410 - acc: 0.8000\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4555 - acc: 0.7903\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4735 - acc: 0.7792\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4449 - acc: 0.7994\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4403 - acc: 0.8016\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4437 - acc: 0.8008\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4498 - acc: 0.7906\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4442 - acc: 0.7993\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4411 - acc: 0.7996\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4447 - acc: 0.7942\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4432 - acc: 0.7979\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4381 - acc: 0.7978\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4449 - acc: 0.8005\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4401 - acc: 0.8007\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4312 - acc: 0.8090\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4465 - acc: 0.7939\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4406 - acc: 0.8020\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4291 - acc: 0.8060\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4317 - acc: 0.8077\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4325 - acc: 0.8038\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4388 - acc: 0.8033\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4309 - acc: 0.8078\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4226 - acc: 0.8133\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4190 - acc: 0.8125\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4258 - acc: 0.8101\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4464 - acc: 0.8041\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4410 - acc: 0.8073\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4440 - acc: 0.8020\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4373 - acc: 0.8056\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4334 - acc: 0.8031\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4221 - acc: 0.8126\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4454 - acc: 0.8049\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4297 - acc: 0.8096\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4212 - acc: 0.8180\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4311 - acc: 0.8121\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4330 - acc: 0.8108\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4241 - acc: 0.8165\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4278 - acc: 0.8119\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4235 - acc: 0.8145\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4334 - acc: 0.8093\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4379 - acc: 0.8082\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4398 - acc: 0.8048\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4321 - acc: 0.8074\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4219 - acc: 0.8167\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4217 - acc: 0.8166\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4245 - acc: 0.8143\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4171 - acc: 0.8189\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4250 - acc: 0.8129\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4386 - acc: 0.7979\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4482 - acc: 0.7978\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4321 - acc: 0.8022\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4291 - acc: 0.8055\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4332 - acc: 0.8048\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4257 - acc: 0.8059\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4309 - acc: 0.8089\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4319 - acc: 0.8016\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4232 - acc: 0.8064\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4394 - acc: 0.7982\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4193 - acc: 0.8128\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4195 - acc: 0.8088\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4184 - acc: 0.8108\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4235 - acc: 0.8067\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4124 - acc: 0.8159\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4126 - acc: 0.8141\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4116 - acc: 0.8173\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4243 - acc: 0.8077\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4138 - acc: 0.8110\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4460 - acc: 0.7960\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 42us/step - loss: 0.4108 - acc: 0.8155\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4008 - acc: 0.8221\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4013 - acc: 0.8176\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4022 - acc: 0.8162\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4148 - acc: 0.8172\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4012 - acc: 0.8194\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4045 - acc: 0.8187\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4100 - acc: 0.8162\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 44us/step - loss: 0.4003 - acc: 0.8228\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4024 - acc: 0.8189\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4098 - acc: 0.8129\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4008 - acc: 0.8240\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3954 - acc: 0.8250\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3955 - acc: 0.8217\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3972 - acc: 0.8240\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.3964 - acc: 0.8269\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3944 - acc: 0.8254\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3843 - acc: 0.8317\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3907 - acc: 0.8276\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 43us/step - loss: 0.3759 - acc: 0.8323\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 43us/step - loss: 0.3847 - acc: 0.8275\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4160 - acc: 0.8123\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.3959 - acc: 0.8224\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.3908 - acc: 0.8238\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3979 - acc: 0.8231\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4004 - acc: 0.8228\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3798 - acc: 0.8353\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3894 - acc: 0.8240\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3934 - acc: 0.8216\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3826 - acc: 0.8299\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4435 - acc: 0.7963\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 63us/step - loss: 0.4440 - acc: 0.7982\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 52us/step - loss: 0.4525 - acc: 0.7934\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 49us/step - loss: 0.4433 - acc: 0.7964\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 43us/step - loss: 0.4321 - acc: 0.8067\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4395 - acc: 0.7986\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4360 - acc: 0.8066\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4355 - acc: 0.8068\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4525 - acc: 0.7901\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4285 - acc: 0.8093\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4351 - acc: 0.8089\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4323 - acc: 0.8022\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4244 - acc: 0.8090\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4387 - acc: 0.8004\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4321 - acc: 0.8023\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4252 - acc: 0.8093\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4321 - acc: 0.8008\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4238 - acc: 0.8137\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4174 - acc: 0.8125\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4318 - acc: 0.8068\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4321 - acc: 0.8030\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4250 - acc: 0.8112\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4219 - acc: 0.8107\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4274 - acc: 0.8059\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4127 - acc: 0.8145\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4215 - acc: 0.8085\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4301 - acc: 0.8031\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4062 - acc: 0.8216\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4113 - acc: 0.8188\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4170 - acc: 0.8141\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4109 - acc: 0.8165\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4271 - acc: 0.8049\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 42us/step - loss: 0.4344 - acc: 0.8026\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4160 - acc: 0.8111\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4066 - acc: 0.8188\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4036 - acc: 0.8242\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4061 - acc: 0.8198\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4146 - acc: 0.8178\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4003 - acc: 0.8221\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.3947 - acc: 0.8272\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4126 - acc: 0.8099\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4218 - acc: 0.8110\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4047 - acc: 0.8232\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4040 - acc: 0.8180\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4137 - acc: 0.8099\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.3992 - acc: 0.8213\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.3964 - acc: 0.8257\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.3976 - acc: 0.8205\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3900 - acc: 0.8266\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4029 - acc: 0.8189\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4309 - acc: 0.8040\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 42us/step - loss: 0.4281 - acc: 0.8078\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4624 - acc: 0.7909\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4307 - acc: 0.8082\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4235 - acc: 0.8115\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4349 - acc: 0.8033\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4145 - acc: 0.8143\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4254 - acc: 0.8117\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4243 - acc: 0.8092\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4229 - acc: 0.8092\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4331 - acc: 0.8033\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4223 - acc: 0.8111\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4037 - acc: 0.8239\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4047 - acc: 0.8238\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4295 - acc: 0.8023\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4127 - acc: 0.8150\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3998 - acc: 0.8225\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4149 - acc: 0.8154\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4096 - acc: 0.8191\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4125 - acc: 0.8170\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4090 - acc: 0.8144\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4048 - acc: 0.8220\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8151\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4161 - acc: 0.8159\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4086 - acc: 0.8203\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4061 - acc: 0.8161\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3903 - acc: 0.8244\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3906 - acc: 0.8261\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3957 - acc: 0.8240\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3927 - acc: 0.8271\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3927 - acc: 0.8254\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4217 - acc: 0.8123\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3869 - acc: 0.8276\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3836 - acc: 0.8301\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3873 - acc: 0.8284\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3879 - acc: 0.8287\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4443 - acc: 0.8008\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4060 - acc: 0.8217\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3886 - acc: 0.8273\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3765 - acc: 0.8363\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3834 - acc: 0.8287\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3786 - acc: 0.8328\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3961 - acc: 0.8250\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3742 - acc: 0.8378\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3986 - acc: 0.8272\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3836 - acc: 0.8326\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3724 - acc: 0.8334\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3847 - acc: 0.8298\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3753 - acc: 0.8350\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3751 - acc: 0.8313\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4418 - acc: 0.8002\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4510 - acc: 0.7942\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4450 - acc: 0.7961\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4335 - acc: 0.8026\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4399 - acc: 0.7991\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4475 - acc: 0.7945\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4367 - acc: 0.7998\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4318 - acc: 0.8019\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4352 - acc: 0.8019\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4303 - acc: 0.8044\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4386 - acc: 0.7961\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4396 - acc: 0.8009\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4388 - acc: 0.7963\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4217 - acc: 0.8057\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4327 - acc: 0.8029\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4418 - acc: 0.7954\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4330 - acc: 0.8051\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4299 - acc: 0.8055\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4244 - acc: 0.8101\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4255 - acc: 0.8075\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4125 - acc: 0.8184\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4186 - acc: 0.8107\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4246 - acc: 0.8099\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4212 - acc: 0.8114\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4156 - acc: 0.8177\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4177 - acc: 0.8129\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4146 - acc: 0.8140\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4107 - acc: 0.8206\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4262 - acc: 0.8075\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4039 - acc: 0.8192\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4075 - acc: 0.8150\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4086 - acc: 0.8199\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4031 - acc: 0.8221\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4044 - acc: 0.8185\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4109 - acc: 0.8152\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4003 - acc: 0.8231\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4007 - acc: 0.8199\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3910 - acc: 0.8255\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4209 - acc: 0.8096\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3996 - acc: 0.8227\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3981 - acc: 0.8262\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3911 - acc: 0.8275\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3953 - acc: 0.8231\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3909 - acc: 0.8236\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3899 - acc: 0.8332\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3843 - acc: 0.8291\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3986 - acc: 0.8199\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3845 - acc: 0.8297\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3886 - acc: 0.8268\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3952 - acc: 0.8217\n",
+      "   0.8652348763583468\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4533 - acc: 0.7952\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4432 - acc: 0.7993\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4550 - acc: 0.7931\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4325 - acc: 0.7994\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4370 - acc: 0.8018\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4477 - acc: 0.7987\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4312 - acc: 0.8041\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4360 - acc: 0.8026\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4259 - acc: 0.8081\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4303 - acc: 0.8077\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4365 - acc: 0.8009\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4288 - acc: 0.8053\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4282 - acc: 0.8056\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4293 - acc: 0.8062\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4316 - acc: 0.8045\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4431 - acc: 0.7952\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4293 - acc: 0.8000\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4217 - acc: 0.8114\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4250 - acc: 0.8075\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4218 - acc: 0.8082\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4240 - acc: 0.8040\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4261 - acc: 0.8084\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4123 - acc: 0.8125\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4295 - acc: 0.8067\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4268 - acc: 0.8057\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4137 - acc: 0.8144\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4069 - acc: 0.8165\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4130 - acc: 0.8136\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4111 - acc: 0.8137\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4100 - acc: 0.8139\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4122 - acc: 0.8161\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4090 - acc: 0.8134\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3981 - acc: 0.8211\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4130 - acc: 0.8174\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4126 - acc: 0.8169\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4096 - acc: 0.8165\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4086 - acc: 0.8145\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3985 - acc: 0.8207\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4080 - acc: 0.8159\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4104 - acc: 0.8136\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4018 - acc: 0.8211\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4140 - acc: 0.8117\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3983 - acc: 0.8198\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4044 - acc: 0.8173\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4105 - acc: 0.8192\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4029 - acc: 0.8195\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3958 - acc: 0.8249\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3962 - acc: 0.8275\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4160 - acc: 0.8096\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4040 - acc: 0.8218\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4471 - acc: 0.7985\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4481 - acc: 0.7972\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4478 - acc: 0.7957\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4440 - acc: 0.8011\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4359 - acc: 0.8024\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4452 - acc: 0.7980\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4395 - acc: 0.8016\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4279 - acc: 0.8081\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4350 - acc: 0.8004\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4299 - acc: 0.8055\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4413 - acc: 0.7957\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4503 - acc: 0.7946\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4356 - acc: 0.8053\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4270 - acc: 0.8081\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4476 - acc: 0.7921\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4277 - acc: 0.8064\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4228 - acc: 0.8139\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4271 - acc: 0.8070\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4271 - acc: 0.8106\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4295 - acc: 0.8060\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4281 - acc: 0.8062\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4253 - acc: 0.8073\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4192 - acc: 0.8103\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4212 - acc: 0.8141\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4425 - acc: 0.7997\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4285 - acc: 0.8051\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4259 - acc: 0.8052\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4191 - acc: 0.8139\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4262 - acc: 0.8079\n",
+      "Epoch 30/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4160 - acc: 0.8128\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4489 - acc: 0.7993\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4191 - acc: 0.8125\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4088 - acc: 0.8174\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4222 - acc: 0.8101\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4190 - acc: 0.8118\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4146 - acc: 0.8170\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4095 - acc: 0.8202\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4301 - acc: 0.8040\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4097 - acc: 0.8176\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4096 - acc: 0.8184\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4197 - acc: 0.8133\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4072 - acc: 0.8216\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4024 - acc: 0.8221\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4151 - acc: 0.8132\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4088 - acc: 0.8155\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4043 - acc: 0.8205\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3983 - acc: 0.8258\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4198 - acc: 0.8178\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4125 - acc: 0.8200\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4027 - acc: 0.8203\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4469 - acc: 0.7941\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4316 - acc: 0.8041\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4404 - acc: 0.7971\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4293 - acc: 0.8048\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4251 - acc: 0.8097\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4354 - acc: 0.7994\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4324 - acc: 0.8068\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4190 - acc: 0.8096\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4253 - acc: 0.8064\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4092 - acc: 0.8139\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4066 - acc: 0.8176\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4146 - acc: 0.8172\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4077 - acc: 0.8188\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4225 - acc: 0.8049\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4126 - acc: 0.8154\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4302 - acc: 0.8011\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4207 - acc: 0.8088\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4121 - acc: 0.8155\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4104 - acc: 0.8121\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4153 - acc: 0.8144\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3940 - acc: 0.8244\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4192 - acc: 0.8114\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4055 - acc: 0.8158\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4038 - acc: 0.8192\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4067 - acc: 0.8172\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4042 - acc: 0.8165\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3990 - acc: 0.8229\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3972 - acc: 0.8213\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3939 - acc: 0.8247\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3923 - acc: 0.8216\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3935 - acc: 0.8243\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3896 - acc: 0.8273\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3991 - acc: 0.8210\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3846 - acc: 0.8294\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3817 - acc: 0.8334\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3786 - acc: 0.8334\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3817 - acc: 0.8254\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3896 - acc: 0.8238\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3877 - acc: 0.8254\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3808 - acc: 0.8327\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3781 - acc: 0.8283\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3860 - acc: 0.8253\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3700 - acc: 0.8327\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3872 - acc: 0.8232\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3802 - acc: 0.8290\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3797 - acc: 0.8295\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3694 - acc: 0.8368\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3774 - acc: 0.8342\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3702 - acc: 0.8365\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3665 - acc: 0.8392\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4273 - acc: 0.8079\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4296 - acc: 0.8078\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4297 - acc: 0.8073\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4283 - acc: 0.8055\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4265 - acc: 0.8068\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4344 - acc: 0.8070\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4220 - acc: 0.8103\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4175 - acc: 0.8096\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4207 - acc: 0.8115\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4217 - acc: 0.8086\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4139 - acc: 0.8096\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4195 - acc: 0.8119\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4186 - acc: 0.8172\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4123 - acc: 0.8147\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4168 - acc: 0.8139\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4028 - acc: 0.8177\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4141 - acc: 0.8108\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4121 - acc: 0.8181\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4091 - acc: 0.8180\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3966 - acc: 0.8216\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4128 - acc: 0.8128\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4045 - acc: 0.8196\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4103 - acc: 0.8180\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4004 - acc: 0.8209\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4342 - acc: 0.7957\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3995 - acc: 0.8228\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4050 - acc: 0.8188\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3930 - acc: 0.8244\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3914 - acc: 0.8243\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4037 - acc: 0.8167\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3821 - acc: 0.8313\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3834 - acc: 0.8295\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3840 - acc: 0.8265\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3786 - acc: 0.8320\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3846 - acc: 0.8294\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3998 - acc: 0.8196\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3849 - acc: 0.8315\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3941 - acc: 0.8229\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3718 - acc: 0.8375\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3763 - acc: 0.8332\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3720 - acc: 0.8348\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3674 - acc: 0.8363\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3804 - acc: 0.8297\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3743 - acc: 0.8350\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3686 - acc: 0.8381\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3793 - acc: 0.8277\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3718 - acc: 0.8315\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3719 - acc: 0.8339\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3807 - acc: 0.8249\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3544 - acc: 0.8429\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4353 - acc: 0.7987\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4381 - acc: 0.7960\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4473 - acc: 0.7941\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4382 - acc: 0.8005\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4340 - acc: 0.8001\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4347 - acc: 0.8027\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4262 - acc: 0.8045\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4401 - acc: 0.8000\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4546 - acc: 0.7888\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4405 - acc: 0.7939\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4297 - acc: 0.8042\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4306 - acc: 0.8063\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4137 - acc: 0.8096\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4169 - acc: 0.8078\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4305 - acc: 0.8023\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4221 - acc: 0.8041\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4317 - acc: 0.8038\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4175 - acc: 0.8090\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4230 - acc: 0.8077\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4149 - acc: 0.8111\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4321 - acc: 0.8004\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4294 - acc: 0.7947\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4476 - acc: 0.7849\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4295 - acc: 0.7997\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4316 - acc: 0.8004\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4484 - acc: 0.7880\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4199 - acc: 0.8059\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4176 - acc: 0.8070\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4200 - acc: 0.8055\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4365 - acc: 0.7961\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4141 - acc: 0.8063\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4105 - acc: 0.8079\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4034 - acc: 0.8155\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4185 - acc: 0.8075\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4208 - acc: 0.8034\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4047 - acc: 0.8143\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4075 - acc: 0.8129\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4083 - acc: 0.8136\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3963 - acc: 0.8187\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4017 - acc: 0.8165\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3938 - acc: 0.8200\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4200 - acc: 0.8095\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4067 - acc: 0.8130\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3941 - acc: 0.8187\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4011 - acc: 0.8199\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3957 - acc: 0.8194\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3965 - acc: 0.8192\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4066 - acc: 0.8137\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.3946 - acc: 0.8172\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3908 - acc: 0.8210\n",
+      "   0.885629942915816\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4270 - acc: 0.8093\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4367 - acc: 0.8007\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4374 - acc: 0.8001\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4269 - acc: 0.8086\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4243 - acc: 0.8115\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4185 - acc: 0.8132\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4159 - acc: 0.8154\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4259 - acc: 0.8101\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4149 - acc: 0.8176\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4412 - acc: 0.8064\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4279 - acc: 0.8100\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4246 - acc: 0.8152\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4291 - acc: 0.8092\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4148 - acc: 0.8211\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4109 - acc: 0.8196\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4136 - acc: 0.8191\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4230 - acc: 0.8111\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4126 - acc: 0.8210\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4101 - acc: 0.8188\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4239 - acc: 0.8111\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4068 - acc: 0.8205\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4181 - acc: 0.8152\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.4019 - acc: 0.8250\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3972 - acc: 0.8286\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3990 - acc: 0.8251\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4076 - acc: 0.8224\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4079 - acc: 0.8191\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4063 - acc: 0.8172\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4049 - acc: 0.8195\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3947 - acc: 0.8293\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3950 - acc: 0.8283\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4003 - acc: 0.8257\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4048 - acc: 0.8238\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4019 - acc: 0.8251\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3953 - acc: 0.8258\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3903 - acc: 0.8332\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3825 - acc: 0.8326\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3960 - acc: 0.8317\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3981 - acc: 0.8228\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3829 - acc: 0.8337\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3794 - acc: 0.8361\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3775 - acc: 0.8389\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 33us/step - loss: 0.3904 - acc: 0.8291\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3742 - acc: 0.8423\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3748 - acc: 0.8396\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3781 - acc: 0.8356\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4084 - acc: 0.8189\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3945 - acc: 0.8286\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3984 - acc: 0.8251\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3796 - acc: 0.8335\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4370 - acc: 0.8033\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4341 - acc: 0.8037\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4377 - acc: 0.8064\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4258 - acc: 0.8125\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4314 - acc: 0.8048\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4338 - acc: 0.8041\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4337 - acc: 0.8046\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4335 - acc: 0.8049\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4394 - acc: 0.8031\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4298 - acc: 0.8121\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4477 - acc: 0.7935\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4386 - acc: 0.8045\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4167 - acc: 0.8161\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4184 - acc: 0.8150\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4173 - acc: 0.8140\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4233 - acc: 0.8128\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4120 - acc: 0.8207\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4183 - acc: 0.8155\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4333 - acc: 0.8068\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4159 - acc: 0.8155\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4207 - acc: 0.8144\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4174 - acc: 0.8162\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4131 - acc: 0.8183\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4187 - acc: 0.8096\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4172 - acc: 0.8158\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4097 - acc: 0.8206\n",
+      "Epoch 27/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4006 - acc: 0.8257\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4173 - acc: 0.8150\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4110 - acc: 0.8181\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4084 - acc: 0.8200\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3961 - acc: 0.8257\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3938 - acc: 0.8291\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3925 - acc: 0.8286\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4196 - acc: 0.8126\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3972 - acc: 0.8293\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3988 - acc: 0.8233\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3982 - acc: 0.8287\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4039 - acc: 0.8213\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3897 - acc: 0.8299\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4009 - acc: 0.8258\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4154 - acc: 0.8125\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3938 - acc: 0.8298\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4123 - acc: 0.8172\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3920 - acc: 0.8250\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3910 - acc: 0.8269\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3921 - acc: 0.8255\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3943 - acc: 0.8276\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3853 - acc: 0.8324\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3903 - acc: 0.8312\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3734 - acc: 0.8422\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4398 - acc: 0.8033\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4389 - acc: 0.8005\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4279 - acc: 0.8103\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4420 - acc: 0.8004\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4368 - acc: 0.8024\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4357 - acc: 0.8033\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4212 - acc: 0.8147\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4193 - acc: 0.8159\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4379 - acc: 0.8044\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4415 - acc: 0.7989\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4306 - acc: 0.8057\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4245 - acc: 0.8110\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4233 - acc: 0.8119\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4219 - acc: 0.8172\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4265 - acc: 0.8068\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4234 - acc: 0.8089\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4164 - acc: 0.8163\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4225 - acc: 0.8126\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4068 - acc: 0.8236\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4231 - acc: 0.8123\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4284 - acc: 0.8073\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4073 - acc: 0.8176\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4160 - acc: 0.8155\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4112 - acc: 0.8145\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4043 - acc: 0.8209\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4038 - acc: 0.8205\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4208 - acc: 0.8068\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4105 - acc: 0.8231\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4157 - acc: 0.8130\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4006 - acc: 0.8265\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4047 - acc: 0.8207\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3962 - acc: 0.8232\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3995 - acc: 0.8251\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.3970 - acc: 0.8243\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3943 - acc: 0.8264\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3955 - acc: 0.8254\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4101 - acc: 0.8169\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4080 - acc: 0.8216\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4004 - acc: 0.8194\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.4056 - acc: 0.8176\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3906 - acc: 0.8282\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4106 - acc: 0.8203\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3813 - acc: 0.8349\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3851 - acc: 0.8297\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3977 - acc: 0.8250\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3901 - acc: 0.8264\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3898 - acc: 0.8310\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 34us/step - loss: 0.3717 - acc: 0.8342\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.3893 - acc: 0.8266\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3792 - acc: 0.8334\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4429 - acc: 0.7980\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4392 - acc: 0.8051\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4496 - acc: 0.7997\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4446 - acc: 0.7957\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4445 - acc: 0.7980\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4475 - acc: 0.7961\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4422 - acc: 0.8005\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4426 - acc: 0.7982\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4542 - acc: 0.7919\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4509 - acc: 0.7903\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4339 - acc: 0.8026\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4428 - acc: 0.7997\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4432 - acc: 0.7994\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4322 - acc: 0.8049\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4429 - acc: 0.8023\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4438 - acc: 0.7956\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4428 - acc: 0.7967\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4313 - acc: 0.8011\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4346 - acc: 0.8023\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4337 - acc: 0.8002\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4348 - acc: 0.8013\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4318 - acc: 0.8041\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4257 - acc: 0.8084\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4347 - acc: 0.8044\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4247 - acc: 0.8095\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4343 - acc: 0.8042\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4249 - acc: 0.8081\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4198 - acc: 0.8128\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4234 - acc: 0.8049\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4159 - acc: 0.8104\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4180 - acc: 0.8150\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4303 - acc: 0.8000\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4192 - acc: 0.8122\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4232 - acc: 0.8088\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4179 - acc: 0.8112\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4248 - acc: 0.8107\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4324 - acc: 0.8031\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4117 - acc: 0.8166\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4286 - acc: 0.8104\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4173 - acc: 0.8152\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4147 - acc: 0.8163\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4127 - acc: 0.8134\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4250 - acc: 0.8044\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4127 - acc: 0.8173\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4173 - acc: 0.8111\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4120 - acc: 0.8163\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4181 - acc: 0.8122\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4201 - acc: 0.8085\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4063 - acc: 0.8210\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4191 - acc: 0.8136\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4546 - acc: 0.7923\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4469 - acc: 0.7979\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 42us/step - loss: 0.4413 - acc: 0.7993\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4556 - acc: 0.7908\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4567 - acc: 0.7909\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4410 - acc: 0.8020\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4467 - acc: 0.7965\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4481 - acc: 0.7954\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4619 - acc: 0.7872\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4467 - acc: 0.7983\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4393 - acc: 0.7989\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4392 - acc: 0.8024\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4449 - acc: 0.7971\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4417 - acc: 0.7985\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4415 - acc: 0.8007\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4319 - acc: 0.8046\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4358 - acc: 0.8063\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4402 - acc: 0.8053\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4221 - acc: 0.8112\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4447 - acc: 0.7989\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4231 - acc: 0.8114\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4251 - acc: 0.8130\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4180 - acc: 0.8167\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4240 - acc: 0.8133\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4186 - acc: 0.8163\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4142 - acc: 0.8167\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4074 - acc: 0.8192\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.4292 - acc: 0.8034\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4373 - acc: 0.8015\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4213 - acc: 0.8097\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4378 - acc: 0.8024\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4041 - acc: 0.8220\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4134 - acc: 0.8151\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4139 - acc: 0.8163\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4048 - acc: 0.8239\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.4050 - acc: 0.8232\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.4019 - acc: 0.8262\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3984 - acc: 0.8239\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4315 - acc: 0.8067\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 37us/step - loss: 0.4380 - acc: 0.8042\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4183 - acc: 0.8130\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 40us/step - loss: 0.4086 - acc: 0.8206\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3967 - acc: 0.8268\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.3977 - acc: 0.8253\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 36us/step - loss: 0.4119 - acc: 0.8172\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 41us/step - loss: 0.4086 - acc: 0.8198\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3950 - acc: 0.8265\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 35us/step - loss: 0.3877 - acc: 0.8308\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 39us/step - loss: 0.3884 - acc: 0.8287\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 38us/step - loss: 0.3995 - acc: 0.8254\n",
+      "   0.8896026109596742\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4516 - acc: 0.7905\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4492 - acc: 0.7938\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4452 - acc: 0.7934\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4433 - acc: 0.7940\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4367 - acc: 0.8063\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4480 - acc: 0.7985\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4343 - acc: 0.8033\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4429 - acc: 0.7973\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4429 - acc: 0.7964\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4270 - acc: 0.8070\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4315 - acc: 0.8036\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4332 - acc: 0.8011\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4344 - acc: 0.8015\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4297 - acc: 0.8037\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4227 - acc: 0.8080\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4227 - acc: 0.8087\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4271 - acc: 0.8069\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4184 - acc: 0.8100\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4223 - acc: 0.8107\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4157 - acc: 0.8173\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4231 - acc: 0.8076\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4140 - acc: 0.8161\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4417 - acc: 0.7982\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4142 - acc: 0.8117\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4195 - acc: 0.8126\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4293 - acc: 0.8021\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4213 - acc: 0.8100\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4231 - acc: 0.8065\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4120 - acc: 0.8148\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4114 - acc: 0.8103\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4119 - acc: 0.8139\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4127 - acc: 0.8122\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4065 - acc: 0.8153\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4144 - acc: 0.8128\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4253 - acc: 0.8011\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4062 - acc: 0.8159\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4163 - acc: 0.8106\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4091 - acc: 0.8157\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4078 - acc: 0.8140\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3960 - acc: 0.8216\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4024 - acc: 0.8209\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3967 - acc: 0.8199\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3991 - acc: 0.8210\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4004 - acc: 0.8208\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4205 - acc: 0.8084\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4015 - acc: 0.8210\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3990 - acc: 0.8250\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3981 - acc: 0.8201\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4005 - acc: 0.8201\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3855 - acc: 0.8280\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4369 - acc: 0.8025\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4404 - acc: 0.7955\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4291 - acc: 0.8021\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4387 - acc: 0.8041\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4396 - acc: 0.7995\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4400 - acc: 0.7951\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4341 - acc: 0.8026\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4425 - acc: 0.7934\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4296 - acc: 0.8036\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4336 - acc: 0.8054\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4318 - acc: 0.7996\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4312 - acc: 0.8027\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4583 - acc: 0.7896\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4380 - acc: 0.8011\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4403 - acc: 0.7978\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4224 - acc: 0.8092\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4459 - acc: 0.7948\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4203 - acc: 0.8049\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4178 - acc: 0.8109\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4276 - acc: 0.8027\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4205 - acc: 0.8080\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4186 - acc: 0.8137\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4177 - acc: 0.8071\n",
+      "Epoch 24/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4257 - acc: 0.8051\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4312 - acc: 0.8032\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4488 - acc: 0.7905\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4298 - acc: 0.8062\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4085 - acc: 0.8172\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4177 - acc: 0.8106\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4175 - acc: 0.8103\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4155 - acc: 0.8115\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4054 - acc: 0.8158\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4035 - acc: 0.8118\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4117 - acc: 0.8144\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4030 - acc: 0.8176\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4100 - acc: 0.8142\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4119 - acc: 0.8177\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4234 - acc: 0.8080\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4156 - acc: 0.8131\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3998 - acc: 0.8205\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4142 - acc: 0.8169\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4222 - acc: 0.8021\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4120 - acc: 0.8199\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4068 - acc: 0.8187\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4046 - acc: 0.8158\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4040 - acc: 0.8176\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4044 - acc: 0.8194\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3912 - acc: 0.8261\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3911 - acc: 0.8247\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4028 - acc: 0.8197\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4289 - acc: 0.8048\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4255 - acc: 0.8066\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4370 - acc: 0.8055\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4251 - acc: 0.8114\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4244 - acc: 0.8055\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4251 - acc: 0.8093\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4308 - acc: 0.8065\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4232 - acc: 0.8059\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4126 - acc: 0.8201\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4193 - acc: 0.8161\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4126 - acc: 0.8173\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4079 - acc: 0.8191\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4082 - acc: 0.8183\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4231 - acc: 0.8073\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3985 - acc: 0.8260\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4029 - acc: 0.8184\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4022 - acc: 0.8225\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4211 - acc: 0.8055\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4012 - acc: 0.8225\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4062 - acc: 0.8177\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3916 - acc: 0.8247\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4062 - acc: 0.8188\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4037 - acc: 0.8225\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3855 - acc: 0.8316\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4069 - acc: 0.8188\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4032 - acc: 0.8225\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3886 - acc: 0.8301\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3860 - acc: 0.8287\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3898 - acc: 0.8304\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3888 - acc: 0.8293\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3818 - acc: 0.8319\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3885 - acc: 0.8278\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3757 - acc: 0.8367\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.3951 - acc: 0.8249\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3825 - acc: 0.8334\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3737 - acc: 0.8362\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3719 - acc: 0.8375\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3688 - acc: 0.8397\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3760 - acc: 0.8359\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3603 - acc: 0.8474\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3701 - acc: 0.8392\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3644 - acc: 0.8404\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3633 - acc: 0.8416\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3920 - acc: 0.8239\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3588 - acc: 0.8422\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3574 - acc: 0.8463\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3783 - acc: 0.8298\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3508 - acc: 0.8474\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3602 - acc: 0.8407\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3720 - acc: 0.8370\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4603 - acc: 0.7878\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4591 - acc: 0.7857\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4613 - acc: 0.7879\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4576 - acc: 0.7904\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4722 - acc: 0.7761\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4526 - acc: 0.7942\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4502 - acc: 0.7956\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4645 - acc: 0.7850\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4503 - acc: 0.7923\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4584 - acc: 0.7883\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4615 - acc: 0.7838\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4555 - acc: 0.7924\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4564 - acc: 0.7882\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4446 - acc: 0.7973\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4451 - acc: 0.7966\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4504 - acc: 0.7940\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4456 - acc: 0.7907\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4424 - acc: 0.7999\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4477 - acc: 0.7974\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4351 - acc: 0.8019\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4497 - acc: 0.7927\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4704 - acc: 0.7864\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4521 - acc: 0.7940\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4415 - acc: 0.7978\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4506 - acc: 0.7930\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4383 - acc: 0.7971\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4523 - acc: 0.7890\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4344 - acc: 0.8014\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4407 - acc: 0.7996\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4434 - acc: 0.7990\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4345 - acc: 0.8011\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4350 - acc: 0.8036\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4298 - acc: 0.8041\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4283 - acc: 0.8073\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4273 - acc: 0.8048\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4378 - acc: 0.8012\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4530 - acc: 0.7944\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4255 - acc: 0.8103\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4347 - acc: 0.8029\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4209 - acc: 0.8111\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4235 - acc: 0.8070\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4341 - acc: 0.7988\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4216 - acc: 0.8115\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4242 - acc: 0.8081\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4156 - acc: 0.8093\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4290 - acc: 0.8043\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4199 - acc: 0.8114\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4369 - acc: 0.8018\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4158 - acc: 0.8148\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4295 - acc: 0.8065\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4523 - acc: 0.7907\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4490 - acc: 0.7876\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4628 - acc: 0.7816\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4489 - acc: 0.7900\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4442 - acc: 0.7920\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4522 - acc: 0.7868\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4419 - acc: 0.7957\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4363 - acc: 0.7964\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4546 - acc: 0.7885\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4401 - acc: 0.7975\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4356 - acc: 0.7986\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4463 - acc: 0.7963\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4476 - acc: 0.7901\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4373 - acc: 0.7931\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4574 - acc: 0.7852\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4500 - acc: 0.7830\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4426 - acc: 0.7955\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4348 - acc: 0.7940\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4500 - acc: 0.7872\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4351 - acc: 0.7953\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4247 - acc: 0.8033\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4210 - acc: 0.8081\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4185 - acc: 0.8049\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4268 - acc: 0.7979\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4281 - acc: 0.8080\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4474 - acc: 0.7891\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4416 - acc: 0.7940\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4243 - acc: 0.8018\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4355 - acc: 0.7988\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4383 - acc: 0.7937\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4129 - acc: 0.8137\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4176 - acc: 0.8066\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4177 - acc: 0.8084\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4126 - acc: 0.8111\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4330 - acc: 0.8034\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4109 - acc: 0.8122\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8071\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4105 - acc: 0.8085\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4108 - acc: 0.8107\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4177 - acc: 0.8124\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4126 - acc: 0.8043\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4114 - acc: 0.8111\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4114 - acc: 0.8125\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4108 - acc: 0.8092\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4103 - acc: 0.8118\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4053 - acc: 0.8128\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4099 - acc: 0.8126\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4166 - acc: 0.8074\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4016 - acc: 0.8177\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4189 - acc: 0.8065\n",
+      "   0.8799016003725216\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4502 - acc: 0.7962\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4320 - acc: 0.8062\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4355 - acc: 0.8044\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4289 - acc: 0.8049\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4210 - acc: 0.8109\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4419 - acc: 0.8049\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4279 - acc: 0.8114\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4238 - acc: 0.8110\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4271 - acc: 0.8066\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4191 - acc: 0.8117\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4218 - acc: 0.8161\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4428 - acc: 0.8000\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4292 - acc: 0.8069\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4255 - acc: 0.8081\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4348 - acc: 0.8034\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4278 - acc: 0.8095\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4228 - acc: 0.8125\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4264 - acc: 0.8139\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4176 - acc: 0.8121\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4147 - acc: 0.8154\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4304 - acc: 0.8036\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4168 - acc: 0.8172\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4153 - acc: 0.8168\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4208 - acc: 0.8136\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4063 - acc: 0.8236\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4021 - acc: 0.8261\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8154\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4054 - acc: 0.8212\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4040 - acc: 0.8224\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4184 - acc: 0.8135\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4079 - acc: 0.8198\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4177 - acc: 0.8154\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4177 - acc: 0.8128\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4103 - acc: 0.8217\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4139 - acc: 0.8155\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4003 - acc: 0.8194\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3930 - acc: 0.8246\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4057 - acc: 0.8195\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3937 - acc: 0.8245\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3975 - acc: 0.8220\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3981 - acc: 0.8238\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4151 - acc: 0.8147\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3947 - acc: 0.8279\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4030 - acc: 0.8252\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3853 - acc: 0.8280\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3850 - acc: 0.8297\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4053 - acc: 0.8216\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3936 - acc: 0.8246\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4035 - acc: 0.8198\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3874 - acc: 0.8269\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4451 - acc: 0.7967\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4478 - acc: 0.7946\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4475 - acc: 0.7959\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4315 - acc: 0.8073\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4340 - acc: 0.8036\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4396 - acc: 0.8012\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4268 - acc: 0.8095\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4410 - acc: 0.7966\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4425 - acc: 0.8038\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4354 - acc: 0.8041\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4331 - acc: 0.8044\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4358 - acc: 0.8023\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4568 - acc: 0.7883\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4274 - acc: 0.8081\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4302 - acc: 0.8069\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4187 - acc: 0.8137\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4213 - acc: 0.8144\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4453 - acc: 0.7957\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4324 - acc: 0.8032\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4247 - acc: 0.8073\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4298 - acc: 0.8096\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4194 - acc: 0.8131\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4154 - acc: 0.8158\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4351 - acc: 0.7995\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4194 - acc: 0.8104\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4193 - acc: 0.8151\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4150 - acc: 0.8169\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4199 - acc: 0.8093\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4073 - acc: 0.8161\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4229 - acc: 0.8085\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4225 - acc: 0.8107\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4163 - acc: 0.8153\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4069 - acc: 0.8155\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4053 - acc: 0.8159\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4084 - acc: 0.8181\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4221 - acc: 0.8096\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4111 - acc: 0.8135\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3936 - acc: 0.8253\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4153 - acc: 0.8078\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4093 - acc: 0.8159\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3944 - acc: 0.8205\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3983 - acc: 0.8206\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4054 - acc: 0.8191\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4087 - acc: 0.8170\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3980 - acc: 0.8225\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4048 - acc: 0.8137\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3949 - acc: 0.8227\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3890 - acc: 0.8286\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3867 - acc: 0.8290\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3946 - acc: 0.8280\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4372 - acc: 0.8038\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4436 - acc: 0.7989\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4538 - acc: 0.7911\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4309 - acc: 0.8045\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4321 - acc: 0.8041\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4326 - acc: 0.8063\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4292 - acc: 0.8085\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4290 - acc: 0.8077\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4357 - acc: 0.8060\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4242 - acc: 0.8092\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4298 - acc: 0.8067\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4164 - acc: 0.8148\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4196 - acc: 0.8136\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4168 - acc: 0.8169\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4229 - acc: 0.8125\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4300 - acc: 0.8065\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4117 - acc: 0.8172\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4217 - acc: 0.8133\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4170 - acc: 0.8131\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4101 - acc: 0.8155\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4199 - acc: 0.8131\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4155 - acc: 0.8186\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4266 - acc: 0.8100\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4180 - acc: 0.8126\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4054 - acc: 0.8212\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4062 - acc: 0.8184\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4083 - acc: 0.8235\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4096 - acc: 0.8168\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4044 - acc: 0.8199\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4039 - acc: 0.8247\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4086 - acc: 0.8158\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4155 - acc: 0.8136\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4014 - acc: 0.8245\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3972 - acc: 0.8203\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4039 - acc: 0.8209\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3970 - acc: 0.8279\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4105 - acc: 0.8161\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4051 - acc: 0.8198\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3904 - acc: 0.8272\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3860 - acc: 0.8293\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3943 - acc: 0.8246\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3978 - acc: 0.8260\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3868 - acc: 0.8302\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3884 - acc: 0.8313\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4126 - acc: 0.8186\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3869 - acc: 0.8280\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3855 - acc: 0.8311\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3931 - acc: 0.8298\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3924 - acc: 0.8274\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3774 - acc: 0.8360\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4321 - acc: 0.8081\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4251 - acc: 0.8091\n",
+      "Epoch 3/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4343 - acc: 0.8055\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4286 - acc: 0.8077\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4282 - acc: 0.8060\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4372 - acc: 0.8027\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4305 - acc: 0.8070\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4290 - acc: 0.8043\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4267 - acc: 0.8058\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4264 - acc: 0.8110\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4411 - acc: 0.7979\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4180 - acc: 0.8126\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4123 - acc: 0.8157\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4348 - acc: 0.8029\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4236 - acc: 0.8093\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4166 - acc: 0.8146\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4048 - acc: 0.8168\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4102 - acc: 0.8177\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4253 - acc: 0.8055\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4156 - acc: 0.8162\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4230 - acc: 0.8104\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4085 - acc: 0.8170\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3977 - acc: 0.8228\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4047 - acc: 0.8187\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4157 - acc: 0.8106\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4084 - acc: 0.8224\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4049 - acc: 0.8155\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4055 - acc: 0.8202\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3992 - acc: 0.8235\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3911 - acc: 0.8280\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4038 - acc: 0.8225\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3947 - acc: 0.8234\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3923 - acc: 0.8272\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4047 - acc: 0.8183\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3966 - acc: 0.8267\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3897 - acc: 0.8282\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4025 - acc: 0.8213\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3993 - acc: 0.8250\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4005 - acc: 0.8253\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3925 - acc: 0.8283\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3922 - acc: 0.8245\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3944 - acc: 0.8286\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.3789 - acc: 0.8340\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4030 - acc: 0.8201\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3910 - acc: 0.8239\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3899 - acc: 0.8236\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3799 - acc: 0.8319\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3761 - acc: 0.8368\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3881 - acc: 0.8256\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3851 - acc: 0.8289\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4782 - acc: 0.7788\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4590 - acc: 0.7949\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4533 - acc: 0.7955\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4491 - acc: 0.7951\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4428 - acc: 0.8040\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4537 - acc: 0.7940\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4593 - acc: 0.7901\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4553 - acc: 0.7902\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4387 - acc: 0.8049\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4432 - acc: 0.7997\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4378 - acc: 0.8034\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4400 - acc: 0.8047\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4411 - acc: 0.8033\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4541 - acc: 0.7951\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4349 - acc: 0.8088\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4433 - acc: 0.8016\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4369 - acc: 0.8078\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4356 - acc: 0.8066\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4448 - acc: 0.7993\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4279 - acc: 0.8113\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4355 - acc: 0.8048\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4337 - acc: 0.8073\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4480 - acc: 0.8010\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4308 - acc: 0.8088\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4479 - acc: 0.7956\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4363 - acc: 0.8052\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4336 - acc: 0.8066\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4617 - acc: 0.7872\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4338 - acc: 0.8058\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4447 - acc: 0.8000\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4303 - acc: 0.8082\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4301 - acc: 0.8078\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4267 - acc: 0.8109\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4360 - acc: 0.8069\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4238 - acc: 0.8115\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4213 - acc: 0.8173\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4285 - acc: 0.8120\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4187 - acc: 0.8169\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4198 - acc: 0.8155\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4275 - acc: 0.8091\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4125 - acc: 0.8198\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4192 - acc: 0.8122\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4128 - acc: 0.8166\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4178 - acc: 0.8169\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4192 - acc: 0.8173\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4172 - acc: 0.8201\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4145 - acc: 0.8187\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4183 - acc: 0.8137\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4274 - acc: 0.8110\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4151 - acc: 0.8184\n",
+      "   0.8725614538146704\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4374 - acc: 0.7989\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4342 - acc: 0.8008\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4429 - acc: 0.7945\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4301 - acc: 0.8038\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4408 - acc: 0.7989\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 33us/step - loss: 0.4285 - acc: 0.8037\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4203 - acc: 0.8120\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4211 - acc: 0.8099\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4305 - acc: 0.8023\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4275 - acc: 0.8016\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4213 - acc: 0.8084\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4345 - acc: 0.8038\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4244 - acc: 0.8063\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4263 - acc: 0.8007\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4159 - acc: 0.8088\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4200 - acc: 0.8078\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4278 - acc: 0.8063\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4141 - acc: 0.8118\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4240 - acc: 0.8014\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4166 - acc: 0.8067\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4160 - acc: 0.8133\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4155 - acc: 0.8114\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8114\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4123 - acc: 0.8107\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4031 - acc: 0.8212\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4144 - acc: 0.8136\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4067 - acc: 0.8135\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4139 - acc: 0.8140\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4138 - acc: 0.8104\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4062 - acc: 0.8137\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4109 - acc: 0.8111\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4108 - acc: 0.8122\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4099 - acc: 0.8136\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4024 - acc: 0.8161\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3948 - acc: 0.8192\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4103 - acc: 0.8126\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4149 - acc: 0.8102\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3956 - acc: 0.8250\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4148 - acc: 0.8114\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4036 - acc: 0.8191\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4106 - acc: 0.8110\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4036 - acc: 0.8180\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3865 - acc: 0.8257\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3935 - acc: 0.8202\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3971 - acc: 0.8155\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3839 - acc: 0.8258\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3960 - acc: 0.8234\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3857 - acc: 0.8265\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3916 - acc: 0.8239\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3859 - acc: 0.8246\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4604 - acc: 0.7919\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4543 - acc: 0.7945\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4501 - acc: 0.8005\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4599 - acc: 0.7896\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4669 - acc: 0.7836\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4555 - acc: 0.7919\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4423 - acc: 0.8034\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4472 - acc: 0.7968\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4658 - acc: 0.7845\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4455 - acc: 0.7970\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4415 - acc: 0.8030\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4370 - acc: 0.8041\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4474 - acc: 0.7968\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4388 - acc: 0.8025\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4476 - acc: 0.8045\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4466 - acc: 0.7970\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4461 - acc: 0.7995\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4408 - acc: 0.8048\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4369 - acc: 0.8041\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4384 - acc: 0.8003\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4405 - acc: 0.8022\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4273 - acc: 0.8088\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4354 - acc: 0.8037\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4323 - acc: 0.8073\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4363 - acc: 0.8048\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4274 - acc: 0.8082\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4440 - acc: 0.8040\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4208 - acc: 0.8150\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4376 - acc: 0.8059\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4242 - acc: 0.8071\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4344 - acc: 0.8088\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4297 - acc: 0.8099\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4318 - acc: 0.8122\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4343 - acc: 0.8049\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4301 - acc: 0.8093\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4344 - acc: 0.8019\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4231 - acc: 0.8114\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4252 - acc: 0.8157\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4210 - acc: 0.8122\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4204 - acc: 0.8148\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4200 - acc: 0.8213\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4215 - acc: 0.8142\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4360 - acc: 0.8054\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4288 - acc: 0.8087\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4232 - acc: 0.8137\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8143\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4169 - acc: 0.8142\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4269 - acc: 0.8070\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4345 - acc: 0.8067\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4098 - acc: 0.8235\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4451 - acc: 0.7990\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4481 - acc: 0.8012\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4431 - acc: 0.7989\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4528 - acc: 0.7926\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4463 - acc: 0.8004\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4334 - acc: 0.8038\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4317 - acc: 0.8066\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4368 - acc: 0.8051\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4507 - acc: 0.7963\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4279 - acc: 0.8084\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4292 - acc: 0.8076\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4319 - acc: 0.8074\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4339 - acc: 0.8023\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4363 - acc: 0.8043\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4405 - acc: 0.7955\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4250 - acc: 0.8122\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4271 - acc: 0.8091\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4321 - acc: 0.8073\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4192 - acc: 0.8142\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4252 - acc: 0.8121\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4302 - acc: 0.8088\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4129 - acc: 0.8170\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4321 - acc: 0.8056\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4193 - acc: 0.8164\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4137 - acc: 0.8165\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4295 - acc: 0.8081\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4230 - acc: 0.8122\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4163 - acc: 0.8176\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4114 - acc: 0.8195\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4096 - acc: 0.8188\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4257 - acc: 0.8087\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4075 - acc: 0.8192\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4057 - acc: 0.8197\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4012 - acc: 0.8252\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4159 - acc: 0.8143\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4087 - acc: 0.8220\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4169 - acc: 0.8136\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4149 - acc: 0.8186\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4072 - acc: 0.8188\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4065 - acc: 0.8214\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3993 - acc: 0.8272\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4017 - acc: 0.8213\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3978 - acc: 0.8246\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4041 - acc: 0.8256\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4062 - acc: 0.8172\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3956 - acc: 0.8252\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3909 - acc: 0.8282\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4080 - acc: 0.8186\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3902 - acc: 0.8289\n",
+      "Epoch 50/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.3950 - acc: 0.8217\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4449 - acc: 0.7893\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4386 - acc: 0.7990\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4445 - acc: 0.8008\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4499 - acc: 0.7894\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4364 - acc: 0.8014\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4260 - acc: 0.8095\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4661 - acc: 0.7788\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4450 - acc: 0.7935\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4370 - acc: 0.7988\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4688 - acc: 0.7806\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4320 - acc: 0.8001\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4295 - acc: 0.8011\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4334 - acc: 0.8018\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4350 - acc: 0.8027\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4291 - acc: 0.7997\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4264 - acc: 0.8034\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4226 - acc: 0.8058\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4196 - acc: 0.8099\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4370 - acc: 0.7986\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4241 - acc: 0.8125\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4305 - acc: 0.8004\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4226 - acc: 0.8082\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4218 - acc: 0.8092\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4192 - acc: 0.8091\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4276 - acc: 0.8069\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4223 - acc: 0.8085\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4255 - acc: 0.8066\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4154 - acc: 0.8113\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4219 - acc: 0.8095\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4238 - acc: 0.8107\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4199 - acc: 0.8129\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4213 - acc: 0.8100\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4144 - acc: 0.8126\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4094 - acc: 0.8169\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4054 - acc: 0.8208\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4076 - acc: 0.8157\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4193 - acc: 0.8114\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4086 - acc: 0.8175\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4068 - acc: 0.8165\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4078 - acc: 0.8177\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4264 - acc: 0.8073\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4134 - acc: 0.8122\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4001 - acc: 0.8198\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4088 - acc: 0.8137\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4000 - acc: 0.8202\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4087 - acc: 0.8177\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3921 - acc: 0.8256\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3959 - acc: 0.8217\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3979 - acc: 0.8258\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3990 - acc: 0.8219\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4494 - acc: 0.7974\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4349 - acc: 0.8052\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4504 - acc: 0.7960\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4413 - acc: 0.8011\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4303 - acc: 0.8096\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4304 - acc: 0.8098\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4371 - acc: 0.8016\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4305 - acc: 0.8071\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4150 - acc: 0.8191\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4275 - acc: 0.8096\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4171 - acc: 0.8154\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4411 - acc: 0.8019\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4238 - acc: 0.8166\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4124 - acc: 0.8180\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4215 - acc: 0.8115\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4361 - acc: 0.8047\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4228 - acc: 0.8113\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4263 - acc: 0.8102\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4106 - acc: 0.8212\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4092 - acc: 0.8177\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4048 - acc: 0.8260\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4205 - acc: 0.8140\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4134 - acc: 0.8169\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4022 - acc: 0.8232\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4037 - acc: 0.8243\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4118 - acc: 0.8210\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4076 - acc: 0.8194\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4057 - acc: 0.8201\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3926 - acc: 0.8287\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4000 - acc: 0.8245\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3962 - acc: 0.8280\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4000 - acc: 0.8264\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3900 - acc: 0.8319\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4150 - acc: 0.8158\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3995 - acc: 0.8264\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3865 - acc: 0.8334\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4061 - acc: 0.8234\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3842 - acc: 0.8340\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3937 - acc: 0.8249\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3949 - acc: 0.8280\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3896 - acc: 0.8312\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3729 - acc: 0.8388\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3785 - acc: 0.8396\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3930 - acc: 0.8297\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3800 - acc: 0.8335\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3821 - acc: 0.8345\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3750 - acc: 0.8386\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3702 - acc: 0.8414\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3832 - acc: 0.8326\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3650 - acc: 0.8465\n",
+      "   0.8809156189495869\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4568 - acc: 0.7860\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4509 - acc: 0.7909\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4536 - acc: 0.7912\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4412 - acc: 0.7964\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4478 - acc: 0.7894\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4455 - acc: 0.7933\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4414 - acc: 0.7960\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4388 - acc: 0.7985\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4463 - acc: 0.7916\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4459 - acc: 0.7946\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4326 - acc: 0.8004\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4542 - acc: 0.7896\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4388 - acc: 0.7956\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4475 - acc: 0.7941\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4343 - acc: 0.7997\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4348 - acc: 0.8000\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4420 - acc: 0.7929\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4341 - acc: 0.8029\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4619 - acc: 0.7830\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4306 - acc: 0.8023\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4263 - acc: 0.8043\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4200 - acc: 0.8085\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4330 - acc: 0.7985\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4308 - acc: 0.8037\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4402 - acc: 0.7974\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4350 - acc: 0.7988\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4319 - acc: 0.8016\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4292 - acc: 0.8015\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4339 - acc: 0.8041\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4280 - acc: 0.8060\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4286 - acc: 0.8044\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4340 - acc: 0.8005\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4151 - acc: 0.8131\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4149 - acc: 0.8073\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4110 - acc: 0.8146\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4181 - acc: 0.8099\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4129 - acc: 0.8129\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4172 - acc: 0.8120\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4121 - acc: 0.8146\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4101 - acc: 0.8147\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4138 - acc: 0.8129\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4114 - acc: 0.8166\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4004 - acc: 0.8214\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4074 - acc: 0.8154\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4091 - acc: 0.8179\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4199 - acc: 0.8124\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4051 - acc: 0.8157\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4087 - acc: 0.8165\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4065 - acc: 0.8181\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4118 - acc: 0.8140\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4364 - acc: 0.8014\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4653 - acc: 0.7812\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4368 - acc: 0.7968\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4292 - acc: 0.8029\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4258 - acc: 0.8055\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4266 - acc: 0.8076\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4225 - acc: 0.8060\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4359 - acc: 0.7960\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4200 - acc: 0.8093\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4239 - acc: 0.8103\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4335 - acc: 0.8004\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4237 - acc: 0.8081\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4238 - acc: 0.8082\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4148 - acc: 0.8122\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4314 - acc: 0.8019\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4178 - acc: 0.8106\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4246 - acc: 0.8074\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4212 - acc: 0.8034\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4229 - acc: 0.8058\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4113 - acc: 0.8146\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4232 - acc: 0.8060\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4249 - acc: 0.8008\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4155 - acc: 0.8136\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4106 - acc: 0.8143\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4108 - acc: 0.8131\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4093 - acc: 0.8125\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4079 - acc: 0.8153\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4061 - acc: 0.8172\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4121 - acc: 0.8093\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3974 - acc: 0.8223\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4043 - acc: 0.8158\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4081 - acc: 0.8136\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4188 - acc: 0.8076\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4029 - acc: 0.8191\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4039 - acc: 0.8137\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4118 - acc: 0.8125\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4032 - acc: 0.8165\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3902 - acc: 0.8254\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4006 - acc: 0.8143\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3998 - acc: 0.8159\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4087 - acc: 0.8161\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4195 - acc: 0.8074\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3995 - acc: 0.8205\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3970 - acc: 0.8199\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3928 - acc: 0.8239\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3934 - acc: 0.8202\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3845 - acc: 0.8264\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3804 - acc: 0.8308\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3902 - acc: 0.8232\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3843 - acc: 0.8302\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4336 - acc: 0.8012\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4371 - acc: 0.7997\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4320 - acc: 0.8008\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4215 - acc: 0.8104\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4195 - acc: 0.8096\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4308 - acc: 0.8058\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4147 - acc: 0.8136\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4204 - acc: 0.8099\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4164 - acc: 0.8140\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4220 - acc: 0.8081\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4322 - acc: 0.8025\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4185 - acc: 0.8071\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4128 - acc: 0.8157\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4066 - acc: 0.8164\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4293 - acc: 0.8066\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4065 - acc: 0.8217\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4113 - acc: 0.8140\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4091 - acc: 0.8183\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4159 - acc: 0.8162\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4247 - acc: 0.8052\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3974 - acc: 0.8250\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3963 - acc: 0.8261\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3886 - acc: 0.8230\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3972 - acc: 0.8186\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3975 - acc: 0.8257\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3959 - acc: 0.8249\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3903 - acc: 0.8274\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3939 - acc: 0.8239\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4043 - acc: 0.8232\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3977 - acc: 0.8231\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3838 - acc: 0.8260\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4003 - acc: 0.8199\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3875 - acc: 0.8294\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3877 - acc: 0.8276\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3816 - acc: 0.8316\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3778 - acc: 0.8337\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3752 - acc: 0.8329\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3651 - acc: 0.8389\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3918 - acc: 0.8265\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4087 - acc: 0.8206\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3781 - acc: 0.8316\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3684 - acc: 0.8367\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3699 - acc: 0.8329\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3579 - acc: 0.8434\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3692 - acc: 0.8352\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3787 - acc: 0.8316\n",
+      "Epoch 47/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3854 - acc: 0.8261\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3686 - acc: 0.8348\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3607 - acc: 0.8426\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3654 - acc: 0.8351\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4367 - acc: 0.8047\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4465 - acc: 0.7992\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4663 - acc: 0.7849\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4559 - acc: 0.7915\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4422 - acc: 0.7971\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4524 - acc: 0.7931\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4455 - acc: 0.7973\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4377 - acc: 0.8032\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4441 - acc: 0.7989\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4470 - acc: 0.7913\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4330 - acc: 0.8047\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4357 - acc: 0.8043\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4426 - acc: 0.7993\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4307 - acc: 0.8099\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4287 - acc: 0.8070\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4282 - acc: 0.8045\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4241 - acc: 0.8126\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4253 - acc: 0.8060\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4187 - acc: 0.8099\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4251 - acc: 0.8074\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4320 - acc: 0.8066\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4141 - acc: 0.8157\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4180 - acc: 0.8146\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4308 - acc: 0.8055\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4262 - acc: 0.8074\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4198 - acc: 0.8104\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4045 - acc: 0.8197\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4228 - acc: 0.8132\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4095 - acc: 0.8190\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4185 - acc: 0.8115\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4207 - acc: 0.8095\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4095 - acc: 0.8187\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4053 - acc: 0.8201\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4021 - acc: 0.8216\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4018 - acc: 0.8210\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4167 - acc: 0.8144\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4049 - acc: 0.8199\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4007 - acc: 0.8197\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4028 - acc: 0.8181\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3965 - acc: 0.8228\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3985 - acc: 0.8250\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4070 - acc: 0.8179\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4016 - acc: 0.8210\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4114 - acc: 0.8180\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4059 - acc: 0.8148\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3943 - acc: 0.8269\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3868 - acc: 0.8287\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3997 - acc: 0.8223\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4023 - acc: 0.8206\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3892 - acc: 0.8258\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4381 - acc: 0.7993\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4344 - acc: 0.8015\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4488 - acc: 0.7918\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4264 - acc: 0.8063\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4368 - acc: 0.8029\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4334 - acc: 0.8004\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4432 - acc: 0.7974\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4238 - acc: 0.8115\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4390 - acc: 0.8000\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4431 - acc: 0.7955\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4268 - acc: 0.8071\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4279 - acc: 0.8049\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4165 - acc: 0.8099\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4169 - acc: 0.8110\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4187 - acc: 0.8155\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4186 - acc: 0.8166\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4089 - acc: 0.8153\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4181 - acc: 0.8150\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4118 - acc: 0.8180\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4048 - acc: 0.8186\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4025 - acc: 0.8214\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4186 - acc: 0.8073\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4065 - acc: 0.8154\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4017 - acc: 0.8179\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3942 - acc: 0.8267\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4071 - acc: 0.8197\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4255 - acc: 0.8070\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4134 - acc: 0.8168\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3919 - acc: 0.8256\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3959 - acc: 0.8231\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3864 - acc: 0.8241\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3854 - acc: 0.8276\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4031 - acc: 0.8158\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3953 - acc: 0.8230\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4088 - acc: 0.8132\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4026 - acc: 0.8190\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3875 - acc: 0.8316\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3801 - acc: 0.8337\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4036 - acc: 0.8230\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3841 - acc: 0.8271\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3820 - acc: 0.8290\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3855 - acc: 0.8283\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3850 - acc: 0.8307\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3829 - acc: 0.8296\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3770 - acc: 0.8308\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3767 - acc: 0.8367\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3866 - acc: 0.8287\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3807 - acc: 0.8327\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3786 - acc: 0.8353\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3856 - acc: 0.8319\n",
+      "   0.8908536137048747\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4422 - acc: 0.8008\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4459 - acc: 0.7968\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4375 - acc: 0.8032\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4342 - acc: 0.8040\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4266 - acc: 0.8077\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4320 - acc: 0.8058\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4289 - acc: 0.8089\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4366 - acc: 0.7990\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4312 - acc: 0.8062\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4300 - acc: 0.8048\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.4326 - acc: 0.8060\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4204 - acc: 0.8135\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4253 - acc: 0.8055\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4133 - acc: 0.8159\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4166 - acc: 0.8144\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4294 - acc: 0.8067\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4135 - acc: 0.8168\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4324 - acc: 0.8025\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4147 - acc: 0.8147\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4130 - acc: 0.8179\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4132 - acc: 0.8155\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4142 - acc: 0.8142\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4221 - acc: 0.8136\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4055 - acc: 0.8209\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4172 - acc: 0.8120\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4169 - acc: 0.8179\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4196 - acc: 0.8146\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4164 - acc: 0.8146\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.4180 - acc: 0.8126\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4290 - acc: 0.8059\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4044 - acc: 0.8219\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4104 - acc: 0.8183\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4064 - acc: 0.8216\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4022 - acc: 0.8247\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4029 - acc: 0.8212\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4029 - acc: 0.8257\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4021 - acc: 0.8214\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4033 - acc: 0.8210\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4032 - acc: 0.8217\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.3829 - acc: 0.8349\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4037 - acc: 0.8243\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4071 - acc: 0.8179\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.3904 - acc: 0.8294\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3940 - acc: 0.8250\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3887 - acc: 0.8329\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3903 - acc: 0.8318\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.3894 - acc: 0.8241\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3915 - acc: 0.8289\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3859 - acc: 0.8252\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4009 - acc: 0.8247\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4692 - acc: 0.7758\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4579 - acc: 0.7849\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4377 - acc: 0.7941\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4500 - acc: 0.7891\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4445 - acc: 0.7985\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4394 - acc: 0.7959\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4606 - acc: 0.7817\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4462 - acc: 0.7964\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4425 - acc: 0.7974\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4346 - acc: 0.7999\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4429 - acc: 0.7985\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4348 - acc: 0.8018\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4531 - acc: 0.7834\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4434 - acc: 0.7912\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4377 - acc: 0.7982\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4398 - acc: 0.7960\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4290 - acc: 0.8011\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4330 - acc: 0.7996\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4340 - acc: 0.7955\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4278 - acc: 0.8078\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4237 - acc: 0.8036\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4381 - acc: 0.7927\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4264 - acc: 0.8043\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4267 - acc: 0.8030\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4304 - acc: 0.8030\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4313 - acc: 0.8019\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4126 - acc: 0.8147\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4117 - acc: 0.8131\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4231 - acc: 0.8051\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4182 - acc: 0.8044\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4191 - acc: 0.8051\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4145 - acc: 0.8146\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4536 - acc: 0.7886\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4366 - acc: 0.7966\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4062 - acc: 0.8133\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4180 - acc: 0.8054\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4149 - acc: 0.8110\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4212 - acc: 0.8089\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4178 - acc: 0.8110\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4229 - acc: 0.8062\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4072 - acc: 0.8128\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4200 - acc: 0.8096\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4100 - acc: 0.8148\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4121 - acc: 0.8098\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3992 - acc: 0.8144\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3901 - acc: 0.8221\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4010 - acc: 0.8231\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4080 - acc: 0.8136\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3960 - acc: 0.8194\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3879 - acc: 0.8272\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4367 - acc: 0.8054\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4352 - acc: 0.8022\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4286 - acc: 0.8074\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4159 - acc: 0.8144\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4325 - acc: 0.8052\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4212 - acc: 0.8131\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4154 - acc: 0.8131\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4371 - acc: 0.8033\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4239 - acc: 0.8103\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4190 - acc: 0.8103\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4301 - acc: 0.8076\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4187 - acc: 0.8165\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4351 - acc: 0.8025\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.4189 - acc: 0.8136\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4230 - acc: 0.8102\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4227 - acc: 0.8096\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4200 - acc: 0.8084\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4058 - acc: 0.8220\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4143 - acc: 0.8194\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4180 - acc: 0.8125\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4298 - acc: 0.8091\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4230 - acc: 0.8102\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4076 - acc: 0.8206\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4163 - acc: 0.8117\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4322 - acc: 0.8082\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4034 - acc: 0.8235\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4044 - acc: 0.8210\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4074 - acc: 0.8192\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4074 - acc: 0.8191\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3970 - acc: 0.8247\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3971 - acc: 0.8225\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4132 - acc: 0.8158\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4072 - acc: 0.8180\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4007 - acc: 0.8236\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4001 - acc: 0.8252\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3967 - acc: 0.8274\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4016 - acc: 0.8271\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4047 - acc: 0.8195\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3933 - acc: 0.8283\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3943 - acc: 0.8286\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3934 - acc: 0.8265\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3985 - acc: 0.8257\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3893 - acc: 0.8308\n",
+      "Epoch 44/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.3833 - acc: 0.8316\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3909 - acc: 0.8324\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3934 - acc: 0.8279\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3959 - acc: 0.8279\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3863 - acc: 0.8304\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3929 - acc: 0.8294\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3817 - acc: 0.8331\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4483 - acc: 0.8003\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4450 - acc: 0.8007\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4485 - acc: 0.8015\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4391 - acc: 0.8008\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4492 - acc: 0.8010\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4474 - acc: 0.7971\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4351 - acc: 0.8060\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4352 - acc: 0.8071\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4414 - acc: 0.8044\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4430 - acc: 0.7995\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4363 - acc: 0.8041\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4395 - acc: 0.8062\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4304 - acc: 0.8115\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4274 - acc: 0.8128\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4326 - acc: 0.8058\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4347 - acc: 0.8074\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4343 - acc: 0.8084\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4190 - acc: 0.8132\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4246 - acc: 0.8128\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4273 - acc: 0.8120\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4245 - acc: 0.8089\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4207 - acc: 0.8151\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4210 - acc: 0.8146\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4248 - acc: 0.8133\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4254 - acc: 0.8137\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4084 - acc: 0.8212\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4189 - acc: 0.8147\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4222 - acc: 0.8133\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4251 - acc: 0.8137\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4133 - acc: 0.8231\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4078 - acc: 0.8198\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4185 - acc: 0.8147\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4204 - acc: 0.8153\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4239 - acc: 0.8115\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4125 - acc: 0.8220\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4124 - acc: 0.8168\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4113 - acc: 0.8205\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4084 - acc: 0.8213\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4181 - acc: 0.8162\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4053 - acc: 0.8253\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4276 - acc: 0.8093\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4043 - acc: 0.8245\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4026 - acc: 0.8232\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4074 - acc: 0.8247\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4125 - acc: 0.8175\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4143 - acc: 0.8170\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3996 - acc: 0.8280\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4030 - acc: 0.8225\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4087 - acc: 0.8247\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4082 - acc: 0.8186\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4401 - acc: 0.8012\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4472 - acc: 0.7975\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4363 - acc: 0.8062\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4544 - acc: 0.7919\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4381 - acc: 0.7979\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4263 - acc: 0.8082\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4211 - acc: 0.8110\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4284 - acc: 0.8104\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4376 - acc: 0.7989\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4302 - acc: 0.8008\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4174 - acc: 0.8146\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4197 - acc: 0.8129\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4157 - acc: 0.8150\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4246 - acc: 0.8099\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4337 - acc: 0.8041\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4166 - acc: 0.8129\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4220 - acc: 0.8084\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4124 - acc: 0.8137\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4115 - acc: 0.8170\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4271 - acc: 0.8092\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4131 - acc: 0.8162\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4160 - acc: 0.8159\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4106 - acc: 0.8157\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4202 - acc: 0.8089\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4198 - acc: 0.8100\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4149 - acc: 0.8146\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4153 - acc: 0.8151\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4076 - acc: 0.8198\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4170 - acc: 0.8100\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4129 - acc: 0.8158\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3982 - acc: 0.8254\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4177 - acc: 0.8150\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4046 - acc: 0.8164\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4043 - acc: 0.8195\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4088 - acc: 0.8186\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4060 - acc: 0.8192\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3948 - acc: 0.8268\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3979 - acc: 0.8216\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4004 - acc: 0.8216\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4185 - acc: 0.8124\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4076 - acc: 0.8172\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3966 - acc: 0.8246\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4010 - acc: 0.8188\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3933 - acc: 0.8271\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4160 - acc: 0.8131\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3889 - acc: 0.8271\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3992 - acc: 0.8231\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3944 - acc: 0.8258\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3847 - acc: 0.8298\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3956 - acc: 0.8296\n",
+      "   0.8813383819817171\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4385 - acc: 0.7985\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4376 - acc: 0.8076\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4265 - acc: 0.8082\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4387 - acc: 0.8041\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4283 - acc: 0.8120\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4410 - acc: 0.8041\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4383 - acc: 0.8044\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4338 - acc: 0.8065\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4323 - acc: 0.8076\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4352 - acc: 0.8047\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4321 - acc: 0.8038\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4261 - acc: 0.8121\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4305 - acc: 0.8099\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4198 - acc: 0.8104\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4211 - acc: 0.8100\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4230 - acc: 0.8100\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4124 - acc: 0.8203\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4153 - acc: 0.8159\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4234 - acc: 0.8146\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4234 - acc: 0.8084\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4154 - acc: 0.8170\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4346 - acc: 0.8074\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4218 - acc: 0.8131\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4315 - acc: 0.8093\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4164 - acc: 0.8161\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4183 - acc: 0.8179\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4139 - acc: 0.8131\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4287 - acc: 0.8081\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4224 - acc: 0.8120\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4186 - acc: 0.8191\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4133 - acc: 0.8213\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 33us/step - loss: 0.4226 - acc: 0.8155\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3990 - acc: 0.8256\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4071 - acc: 0.8232\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4016 - acc: 0.8265\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4181 - acc: 0.8133\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4052 - acc: 0.8209\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4008 - acc: 0.8258\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3992 - acc: 0.8235\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4051 - acc: 0.8238\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3980 - acc: 0.8271\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4028 - acc: 0.8228\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3930 - acc: 0.8333\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4013 - acc: 0.8239\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3905 - acc: 0.8335\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3906 - acc: 0.8300\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3993 - acc: 0.8280\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3871 - acc: 0.8351\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3965 - acc: 0.8290\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3778 - acc: 0.8374\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4448 - acc: 0.8021\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4371 - acc: 0.8065\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4423 - acc: 0.8027\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4422 - acc: 0.8048\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4443 - acc: 0.7999\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4400 - acc: 0.8044\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4327 - acc: 0.8091\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4329 - acc: 0.8066\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4400 - acc: 0.8001\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4313 - acc: 0.8142\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4380 - acc: 0.8005\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4285 - acc: 0.8106\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4378 - acc: 0.8085\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4301 - acc: 0.8069\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4360 - acc: 0.8027\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4470 - acc: 0.7999\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4295 - acc: 0.8114\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4313 - acc: 0.8067\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4322 - acc: 0.8055\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4178 - acc: 0.8158\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4313 - acc: 0.8082\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4200 - acc: 0.8131\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4181 - acc: 0.8140\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4145 - acc: 0.8170\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4377 - acc: 0.8037\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4110 - acc: 0.8161\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4172 - acc: 0.8161\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4221 - acc: 0.8140\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4159 - acc: 0.8158\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4125 - acc: 0.8191\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4209 - acc: 0.8151\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4153 - acc: 0.8201\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4087 - acc: 0.8209\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4226 - acc: 0.8078\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4113 - acc: 0.8187\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4094 - acc: 0.8179\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4011 - acc: 0.8227\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.4105 - acc: 0.8219\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4060 - acc: 0.8206\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4169 - acc: 0.8133\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4056 - acc: 0.8230\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4130 - acc: 0.8191\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4183 - acc: 0.8142\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4120 - acc: 0.8175\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4095 - acc: 0.8186\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4184 - acc: 0.8131\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4349 - acc: 0.8043\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4046 - acc: 0.8203\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4053 - acc: 0.8201\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4019 - acc: 0.8242\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4219 - acc: 0.8118\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4437 - acc: 0.7971\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4402 - acc: 0.8025\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4155 - acc: 0.8121\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4220 - acc: 0.8110\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4145 - acc: 0.8128\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4172 - acc: 0.8103\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4106 - acc: 0.8168\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4351 - acc: 0.8019\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4072 - acc: 0.8148\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4169 - acc: 0.8129\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4229 - acc: 0.8122\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4091 - acc: 0.8170\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4284 - acc: 0.8065\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4043 - acc: 0.8197\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4310 - acc: 0.8045\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4081 - acc: 0.8186\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3976 - acc: 0.8221\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3939 - acc: 0.8268\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4015 - acc: 0.8212\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4007 - acc: 0.8188\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4076 - acc: 0.8131\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4001 - acc: 0.8239\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3944 - acc: 0.8246\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4082 - acc: 0.8155\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3855 - acc: 0.8352\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3872 - acc: 0.8305\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3822 - acc: 0.8327\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3994 - acc: 0.8243\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3851 - acc: 0.8326\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3825 - acc: 0.8326\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3893 - acc: 0.8289\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3846 - acc: 0.8272\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3847 - acc: 0.8267\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3922 - acc: 0.8239\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3820 - acc: 0.8326\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3859 - acc: 0.8318\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3683 - acc: 0.8388\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3928 - acc: 0.8250\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3768 - acc: 0.8335\n",
+      "Epoch 41/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3786 - acc: 0.8278\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3722 - acc: 0.8326\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3650 - acc: 0.8396\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3720 - acc: 0.8326\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3735 - acc: 0.8377\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3770 - acc: 0.8344\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3859 - acc: 0.8312\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3821 - acc: 0.8290\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3861 - acc: 0.8312\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3704 - acc: 0.8353\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4246 - acc: 0.8111\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4280 - acc: 0.8110\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4296 - acc: 0.8049\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4474 - acc: 0.7940\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4423 - acc: 0.7971\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4405 - acc: 0.8000\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4263 - acc: 0.8074\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4377 - acc: 0.8019\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4182 - acc: 0.8135\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4374 - acc: 0.8027\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4213 - acc: 0.8128\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4278 - acc: 0.8106\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4208 - acc: 0.8125\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4255 - acc: 0.8054\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4175 - acc: 0.8146\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4226 - acc: 0.8126\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4259 - acc: 0.8106\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4145 - acc: 0.8144\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4101 - acc: 0.8213\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4115 - acc: 0.8179\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4161 - acc: 0.8175\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4133 - acc: 0.8142\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4155 - acc: 0.8135\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4075 - acc: 0.8188\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4158 - acc: 0.8159\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3961 - acc: 0.8249\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4016 - acc: 0.8224\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4175 - acc: 0.8175\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4085 - acc: 0.8214\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4042 - acc: 0.8183\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3989 - acc: 0.8228\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4062 - acc: 0.8201\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3922 - acc: 0.8269\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3910 - acc: 0.8296\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4020 - acc: 0.8157\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4000 - acc: 0.8213\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4079 - acc: 0.8150\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.3840 - acc: 0.8351\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3951 - acc: 0.8301\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3981 - acc: 0.8217\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3843 - acc: 0.8311\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3921 - acc: 0.8307\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3787 - acc: 0.8348\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3878 - acc: 0.8283\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3868 - acc: 0.8311\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3862 - acc: 0.8335\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3877 - acc: 0.8309\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3804 - acc: 0.8312\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3902 - acc: 0.8246\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3786 - acc: 0.8374\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4392 - acc: 0.8044\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4357 - acc: 0.8074\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4359 - acc: 0.8059\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4325 - acc: 0.8059\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4334 - acc: 0.8021\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4325 - acc: 0.8058\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4433 - acc: 0.8001\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4250 - acc: 0.8106\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4256 - acc: 0.8092\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4488 - acc: 0.7963\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4166 - acc: 0.8102\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4255 - acc: 0.8106\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4172 - acc: 0.8165\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4185 - acc: 0.8135\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4256 - acc: 0.8095\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4290 - acc: 0.8096\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4185 - acc: 0.8154\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4185 - acc: 0.8150\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4250 - acc: 0.8147\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4214 - acc: 0.8162\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4214 - acc: 0.8099\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4131 - acc: 0.8173\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4107 - acc: 0.8191\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4078 - acc: 0.8197\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4122 - acc: 0.8188\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4093 - acc: 0.8243\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4117 - acc: 0.8158\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4128 - acc: 0.8140\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3988 - acc: 0.8254\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4010 - acc: 0.8247\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4062 - acc: 0.8154\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4028 - acc: 0.8232\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4001 - acc: 0.8263\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4034 - acc: 0.8223\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4169 - acc: 0.8192\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4055 - acc: 0.8194\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3942 - acc: 0.8269\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3900 - acc: 0.8326\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4035 - acc: 0.8201\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4050 - acc: 0.8227\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3969 - acc: 0.8263\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4025 - acc: 0.8239\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3870 - acc: 0.8319\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3911 - acc: 0.8258\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3911 - acc: 0.8286\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3878 - acc: 0.8315\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4064 - acc: 0.8190\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3809 - acc: 0.8407\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3861 - acc: 0.8309\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4008 - acc: 0.8269\n",
+      "   0.8609446609317942\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4256 - acc: 0.8071\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4230 - acc: 0.8113\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4382 - acc: 0.8005\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4336 - acc: 0.8073\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4242 - acc: 0.8082\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4135 - acc: 0.8172\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4148 - acc: 0.8172\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4136 - acc: 0.8126\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4070 - acc: 0.8159\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4056 - acc: 0.8190\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4414 - acc: 0.7973\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4142 - acc: 0.8106\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4222 - acc: 0.8089\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4067 - acc: 0.8142\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4132 - acc: 0.8110\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4208 - acc: 0.8074\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4065 - acc: 0.8151\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4035 - acc: 0.8219\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4073 - acc: 0.8168\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3958 - acc: 0.8223\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3999 - acc: 0.8146\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4130 - acc: 0.8144\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4284 - acc: 0.8010\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3935 - acc: 0.8241\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3912 - acc: 0.8268\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3885 - acc: 0.8269\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3941 - acc: 0.8206\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3919 - acc: 0.8253\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3932 - acc: 0.8234\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.3929 - acc: 0.8242\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.3915 - acc: 0.8241\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3740 - acc: 0.8333\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3855 - acc: 0.8274\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3802 - acc: 0.8271\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3789 - acc: 0.8340\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3736 - acc: 0.8333\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3827 - acc: 0.8264\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3791 - acc: 0.8290\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3684 - acc: 0.8370\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3671 - acc: 0.8366\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3693 - acc: 0.8360\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3638 - acc: 0.8397\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3698 - acc: 0.8373\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3557 - acc: 0.8422\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3845 - acc: 0.8264\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3586 - acc: 0.8382\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3580 - acc: 0.8425\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3946 - acc: 0.8243\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3592 - acc: 0.8381\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3792 - acc: 0.8263\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4476 - acc: 0.7984\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4321 - acc: 0.8051\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4245 - acc: 0.8120\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4402 - acc: 0.7995\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4286 - acc: 0.8096\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4266 - acc: 0.8114\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4281 - acc: 0.8069\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4341 - acc: 0.8058\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4184 - acc: 0.8150\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4299 - acc: 0.8062\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4176 - acc: 0.8137\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4238 - acc: 0.8110\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4173 - acc: 0.8150\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4258 - acc: 0.8107\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4110 - acc: 0.8176\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4174 - acc: 0.8168\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4225 - acc: 0.8080\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4114 - acc: 0.8147\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4169 - acc: 0.8136\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 34us/step - loss: 0.4054 - acc: 0.8231\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4071 - acc: 0.8191\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4132 - acc: 0.8148\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4142 - acc: 0.8162\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4076 - acc: 0.8209\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4096 - acc: 0.8169\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4016 - acc: 0.8216\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3989 - acc: 0.8232\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3938 - acc: 0.8241\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4233 - acc: 0.8118\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3992 - acc: 0.8221\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4054 - acc: 0.8202\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3994 - acc: 0.8234\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4258 - acc: 0.8091\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4022 - acc: 0.8219\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4038 - acc: 0.8173\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4020 - acc: 0.8230\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3956 - acc: 0.8283\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3855 - acc: 0.8289\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3963 - acc: 0.8232\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3895 - acc: 0.8274\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3920 - acc: 0.8285\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3842 - acc: 0.8318\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3902 - acc: 0.8279\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3911 - acc: 0.8276\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4030 - acc: 0.8201\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3917 - acc: 0.8279\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3771 - acc: 0.8355\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3862 - acc: 0.8316\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4002 - acc: 0.8212\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3796 - acc: 0.8283\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4340 - acc: 0.8040\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4283 - acc: 0.8066\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4331 - acc: 0.8005\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4322 - acc: 0.8036\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4245 - acc: 0.8087\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4339 - acc: 0.8027\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4287 - acc: 0.8076\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4257 - acc: 0.8077\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4391 - acc: 0.7999\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4213 - acc: 0.8089\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4253 - acc: 0.8081\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4302 - acc: 0.8040\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4207 - acc: 0.8110\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4201 - acc: 0.8055\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4171 - acc: 0.8111\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4099 - acc: 0.8147\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4169 - acc: 0.8137\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4141 - acc: 0.8157\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4085 - acc: 0.8153\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4050 - acc: 0.8187\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4061 - acc: 0.8184\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4095 - acc: 0.8147\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4008 - acc: 0.8224\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4077 - acc: 0.8181\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4048 - acc: 0.8197\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4017 - acc: 0.8148\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4216 - acc: 0.8098\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3924 - acc: 0.8252\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4038 - acc: 0.8199\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3923 - acc: 0.8221\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4044 - acc: 0.8175\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4144 - acc: 0.8148\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4155 - acc: 0.8162\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4033 - acc: 0.8187\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4019 - acc: 0.8238\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4004 - acc: 0.8187\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3895 - acc: 0.8301\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4084 - acc: 0.8186\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3899 - acc: 0.8250\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3970 - acc: 0.8232\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4036 - acc: 0.8195\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3947 - acc: 0.8261\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3978 - acc: 0.8254\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3930 - acc: 0.8267\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3803 - acc: 0.8331\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3856 - acc: 0.8304\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3990 - acc: 0.8199\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3852 - acc: 0.8327\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3993 - acc: 0.8224\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3819 - acc: 0.8329\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4346 - acc: 0.8043\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4409 - acc: 0.8015\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4346 - acc: 0.8058\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4385 - acc: 0.8025\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4551 - acc: 0.7949\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4389 - acc: 0.7974\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4433 - acc: 0.8025\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4358 - acc: 0.8045\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4388 - acc: 0.8012\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4487 - acc: 0.7952\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4284 - acc: 0.8099\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4277 - acc: 0.8091\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4339 - acc: 0.8113\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4333 - acc: 0.8032\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4289 - acc: 0.8070\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4274 - acc: 0.8096\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4398 - acc: 0.7995\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4251 - acc: 0.8096\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4266 - acc: 0.8099\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4353 - acc: 0.8051\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4183 - acc: 0.8120\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4189 - acc: 0.8111\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4161 - acc: 0.8118\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4204 - acc: 0.8091\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4198 - acc: 0.8107\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4225 - acc: 0.8118\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4105 - acc: 0.8180\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4265 - acc: 0.8087\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4113 - acc: 0.8191\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4165 - acc: 0.8176\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4223 - acc: 0.8103\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4225 - acc: 0.8110\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4150 - acc: 0.8143\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4150 - acc: 0.8148\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.4140 - acc: 0.8146\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4129 - acc: 0.8177\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4134 - acc: 0.8208\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4179 - acc: 0.8135\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.4100 - acc: 0.8181\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4185 - acc: 0.8129\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4101 - acc: 0.8175\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4219 - acc: 0.8136\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4241 - acc: 0.8069\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4164 - acc: 0.8139\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3988 - acc: 0.8239\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4184 - acc: 0.8128\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4166 - acc: 0.8158\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4101 - acc: 0.8184\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3999 - acc: 0.8224\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 39us/step - loss: 0.4034 - acc: 0.8231\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4215 - acc: 0.8124\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4269 - acc: 0.8041\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4340 - acc: 0.8043\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4275 - acc: 0.8093\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4328 - acc: 0.8032\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4276 - acc: 0.8038\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4199 - acc: 0.8113\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4153 - acc: 0.8153\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4051 - acc: 0.8208\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4184 - acc: 0.8091\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4252 - acc: 0.8115\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4249 - acc: 0.8102\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4209 - acc: 0.8133\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4218 - acc: 0.8117\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4260 - acc: 0.8048\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4178 - acc: 0.8074\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4079 - acc: 0.8181\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4117 - acc: 0.8121\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4043 - acc: 0.8172\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4050 - acc: 0.8162\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4004 - acc: 0.8208\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.4117 - acc: 0.8110\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3934 - acc: 0.8265\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4196 - acc: 0.8033\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.4044 - acc: 0.8111\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4083 - acc: 0.8202\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3924 - acc: 0.8267\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4009 - acc: 0.8212\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.4003 - acc: 0.8166\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 42us/step - loss: 0.3929 - acc: 0.8247\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3876 - acc: 0.8253\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.4018 - acc: 0.8232\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3891 - acc: 0.8264\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3826 - acc: 0.8300\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 35us/step - loss: 0.3900 - acc: 0.8275\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3791 - acc: 0.8326\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3924 - acc: 0.8256\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3877 - acc: 0.8297\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3971 - acc: 0.8230\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3947 - acc: 0.8195\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3782 - acc: 0.8330\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3968 - acc: 0.8214\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 40us/step - loss: 0.3823 - acc: 0.8297\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 36us/step - loss: 0.3902 - acc: 0.8293\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 41us/step - loss: 0.3761 - acc: 0.8326\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3752 - acc: 0.8362\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3739 - acc: 0.8334\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 37us/step - loss: 0.3840 - acc: 0.8296\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3778 - acc: 0.8351\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 38us/step - loss: 0.3810 - acc: 0.8329\n",
+      "   0.8730056613484303\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.52050287, 0.69786465, 0.89777595, ..., 0.16324709, 0.93710172,\n",
+       "       0.68392801])"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    for mod in range(5):\n",
+    "        print('>>')\n",
+    "        curr_try = 0\n",
+    "        while curr_try <10:\n",
+    "            print('.')\n",
+    "\n",
+    "            model = Sequential()\n",
+    "            model.add(Dense(64, input_dim=X.shape[1], activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(1, activation='sigmoid'))\n",
+    "            # Compile model\n",
+    "            opt = keras.optimizers.Adam(epsilon=None, amsgrad=True)\n",
+    "            model.compile(loss='binary_crossentropy', optimizer=opt, metrics=['accuracy'])\n",
+    "            \n",
+    "            # Fit the model\n",
+    "            history = model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=0)\n",
+    "            if history.history['acc'][-1] > 0.53:\n",
+    "                break\n",
+    "            else:\n",
+    "                curr_try += 1\n",
+    "\n",
+    "        # Fit the model\n",
+    "        model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=1)\n",
+    "        \n",
+    "        # evaluate the model\n",
+    "        probas_ = model.predict(X[test,:])\n",
+    "        prbs.append(probas_)\n",
+    "    # Average the predictions\n",
+    "    probas_ = np.mean(np.hstack(prbs), axis=1)\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.nn.v4.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[<matplotlib.lines.Line2D at 0x7f21bb64eba8>]"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "results[test] = probas_\n",
+    "plt.plot(results)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4980 - acc: 0.7615\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.5028 - acc: 0.7563\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4927 - acc: 0.7708\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4966 - acc: 0.7615\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4958 - acc: 0.7656\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4982 - acc: 0.7641\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4993 - acc: 0.7633\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4955 - acc: 0.7649\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4935 - acc: 0.7677\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 15us/step - loss: 0.4981 - acc: 0.7612\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4948 - acc: 0.7612\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7692\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7699\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4902 - acc: 0.7706\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7695\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7684\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4889 - acc: 0.7707\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7685\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4858 - acc: 0.7739\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7707\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4870 - acc: 0.7715\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7681\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4879 - acc: 0.7700\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4878 - acc: 0.7706\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7693\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4888 - acc: 0.7732\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4872 - acc: 0.7718\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4900 - acc: 0.7714\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7667\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7666\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7788\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4874 - acc: 0.7717\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4863 - acc: 0.7736\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7711\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7756\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4834 - acc: 0.7736\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7767\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4814 - acc: 0.7791\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4857 - acc: 0.7719\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7787\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7707\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7766\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4806 - acc: 0.7769\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4837 - acc: 0.7747\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4800 - acc: 0.7788\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4825 - acc: 0.7792\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7728\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7728\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4795 - acc: 0.7777\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4831 - acc: 0.7737\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7675\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7678\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4972 - acc: 0.7615\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7662\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4932 - acc: 0.7674\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4946 - acc: 0.7653\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4934 - acc: 0.7655\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4945 - acc: 0.7631\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7668\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7666\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4908 - acc: 0.7689\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4917 - acc: 0.7686\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7714\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7659\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7722\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7714\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7681\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7677\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7693\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4897 - acc: 0.7697\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7677\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4891 - acc: 0.7707\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7759\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4872 - acc: 0.7725\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7736\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7715\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4905 - acc: 0.7674\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7695\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4836 - acc: 0.7785\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4902 - acc: 0.7652\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4902 - acc: 0.7699\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7733\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7704\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7692\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7777\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7690\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7752\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4837 - acc: 0.7770\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7750\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7741\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4832 - acc: 0.7763\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4819 - acc: 0.7774\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4817 - acc: 0.7747\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4909 - acc: 0.7682\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7737\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4816 - acc: 0.7788\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4807 - acc: 0.7748\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4822 - acc: 0.7751\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7728\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7740\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7604\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7640\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7673\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5001 - acc: 0.7604\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7673\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7666\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7662\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7664\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7703\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7690\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7710\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7655\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7700\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7700\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7718\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7695\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7711\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7693\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7699\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7711\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7682\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7618\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7769\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7714\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7717\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7719\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7750\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7726\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4864 - acc: 0.7696\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7732\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7721\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7726\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7759\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 14us/step - loss: 0.4849 - acc: 0.7725\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4826 - acc: 0.7740\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7707\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7715\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4830 - acc: 0.7756\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4816 - acc: 0.7796\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7673\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7743\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4799 - acc: 0.7783\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7759\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4800 - acc: 0.7761\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7761\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7729\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4837 - acc: 0.7741\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7763\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4822 - acc: 0.7747\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4819 - acc: 0.7756\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7631\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4992 - acc: 0.7640\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7659\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4941 - acc: 0.7677\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4970 - acc: 0.7629\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7693\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7692\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7663\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4931 - acc: 0.7673\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7615\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7678\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7678\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7626\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4963 - acc: 0.7633\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7721\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7696\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7718\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7626\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7697\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7730\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7662\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7762\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7773\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7690\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7723\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7708\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7673\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7732\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7750\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7718\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7718\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7759\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7739\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7774\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4845 - acc: 0.7745\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7711\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7750\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4855 - acc: 0.7732\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7751\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7714\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4810 - acc: 0.7781\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7776\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7737\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7758\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7780\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7712\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4814 - acc: 0.7761\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4832 - acc: 0.7737\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4809 - acc: 0.7759\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4785 - acc: 0.7778\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7646\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7678\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7679\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7689\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7660\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4960 - acc: 0.7678\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4960 - acc: 0.7640\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7662\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7729\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7700\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7589\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7690\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7645\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7707\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7703\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4880 - acc: 0.7748\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7693\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7677\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7662\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7704\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7701\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4925 - acc: 0.7651\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7660\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7670\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7721\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7733\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7690\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7689\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7728\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7785\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7733\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7740\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7743\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7722\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7754\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7679\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7765\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4813 - acc: 0.7777\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7752\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7734\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4804 - acc: 0.7778\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7750\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7762\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7733\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7711\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4799 - acc: 0.7759\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4789 - acc: 0.7811\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4823 - acc: 0.7719\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4858 - acc: 0.7729\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4794 - acc: 0.7784\n",
+      "   0.8230084709506289\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4985 - acc: 0.7659\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5009 - acc: 0.7619\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5010 - acc: 0.7597\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4988 - acc: 0.7655\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4982 - acc: 0.7612\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5034 - acc: 0.7619\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7649\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4987 - acc: 0.7649\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7646\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5012 - acc: 0.7640\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4996 - acc: 0.7638\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7645\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7667\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7681\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7660\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4904 - acc: 0.7688\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7682\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7703\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7664\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7717\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7699\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7703\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7721\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7638\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7690\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7728\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7704\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7674\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7748\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7697\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7725\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7750\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7728\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7730\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7762\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7741\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7756\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7730\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7765\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7759\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4839 - acc: 0.7748\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7718\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7740\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7739\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7728\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7763\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7722\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7729\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4825 - acc: 0.7763\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4829 - acc: 0.7785\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7645\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7627\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7644\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7664\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5056 - acc: 0.7589\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7649\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7630\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7703\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7693\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7677\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4934 - acc: 0.7666\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7668\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7718\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7678\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7684\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7708\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7674\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7635\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4944 - acc: 0.7646\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7725\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7644\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7594\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7659\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4907 - acc: 0.7692\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7648\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4903 - acc: 0.7696\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7706\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7677\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7722\n",
+      "Epoch 30/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7752\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4855 - acc: 0.7758\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4881 - acc: 0.7737\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4951 - acc: 0.7667\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7758\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4876 - acc: 0.7728\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7712\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4925 - acc: 0.7700\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7761\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7732\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7695\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4841 - acc: 0.7755\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7722\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7743\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7736\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7730\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7721\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4816 - acc: 0.7776\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7728\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4841 - acc: 0.7752\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4837 - acc: 0.7761\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5028 - acc: 0.7611\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7624\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4992 - acc: 0.7662\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5028 - acc: 0.7602\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5072 - acc: 0.7585\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7689\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7700\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7657\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7695\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7634\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4945 - acc: 0.7627\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7634\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7677\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7693\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7677\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7653\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7642\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7695\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7662\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7737\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7631\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7700\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7677\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7714\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7752\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7692\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4910 - acc: 0.7646\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7744\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7722\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7660\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7699\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7725\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7710\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7726\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7734\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7752\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7706\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7739\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7718\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7745\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4900 - acc: 0.7756\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7717\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7701\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7747\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7695\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7736\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7736\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7759\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7755\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4847 - acc: 0.7776\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7649\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7657\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7637\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7630\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7670\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7690\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7651\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4978 - acc: 0.7622\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7666\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7662\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4992 - acc: 0.7668\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7712\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7640\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7677\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4940 - acc: 0.7690\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4916 - acc: 0.7722\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7700\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7670\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7685\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7677\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7700\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7699\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7668\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7688\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 16us/step - loss: 0.4906 - acc: 0.7701\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7682\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7701\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7743\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7748\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4897 - acc: 0.7726\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7723\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7729\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7703\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7723\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7747\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7719\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7732\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7743\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7721\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7730\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7762\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7754\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7684\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7712\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7677\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7755\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7714\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7663\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4817 - acc: 0.7780\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7740\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5002 - acc: 0.7642\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7622\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7629\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7634\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5030 - acc: 0.7602\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4981 - acc: 0.7642\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7659\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7635\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7668\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7678\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4994 - acc: 0.7630\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7624\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7671\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7677\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7703\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4935 - acc: 0.7674\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7689\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7629\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7641\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7708\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7740\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7663\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7729\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7684\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7714\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7690\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7701\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7752\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4921 - acc: 0.7708\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4908 - acc: 0.7710\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7679\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7756\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7747\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7695\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7706\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7745\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7728\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4870 - acc: 0.7723\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7717\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7732\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7747\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7681\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7745\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7752\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7770\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7752\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7741\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7734\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7766\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7766\n",
+      "   0.8379029202166022\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5011 - acc: 0.7615\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7613\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5003 - acc: 0.7629\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7609\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.5001 - acc: 0.7608\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5013 - acc: 0.7616\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7646\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7656\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4972 - acc: 0.7678\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7678\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7620\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.5023 - acc: 0.7638\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4929 - acc: 0.7707\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7695\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7686\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4920 - acc: 0.7701\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7704\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7666\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4959 - acc: 0.7641\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4985 - acc: 0.7623\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7711\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4948 - acc: 0.7651\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4931 - acc: 0.7688\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4885 - acc: 0.7736\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7673\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7620\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7700\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7703\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4921 - acc: 0.7697\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7711\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4909 - acc: 0.7706\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7723\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7685\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7732\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7721\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7715\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4916 - acc: 0.7677\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7697\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7743\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7711\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4852 - acc: 0.7740\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7679\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7726\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7667\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7745\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7765\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7732\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4883 - acc: 0.7733\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7722\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7744\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5056 - acc: 0.7596\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.5017 - acc: 0.7633\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7638\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.5023 - acc: 0.7627\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4991 - acc: 0.7649\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5039 - acc: 0.7615\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7634\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7674\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4984 - acc: 0.7648\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7616\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.5000 - acc: 0.7637\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5001 - acc: 0.7651\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4968 - acc: 0.7635\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7677\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7677\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7618\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7692\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7693\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4951 - acc: 0.7690\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7635\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7678\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7671\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7656\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4927 - acc: 0.7690\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7686\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7703\n",
+      "Epoch 27/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7645\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7701\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4967 - acc: 0.7689\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7708\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7666\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4879 - acc: 0.7725\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7734\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7693\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7758\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7710\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7688\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7730\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7692\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7756\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7689\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7759\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4853 - acc: 0.7763\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4868 - acc: 0.7725\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7688\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7684\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7739\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7734\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7732\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7734\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5007 - acc: 0.7641\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7659\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7630\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7637\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7627\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7618\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5016 - acc: 0.7608\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7642\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5089 - acc: 0.7535\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5015 - acc: 0.7575\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7641\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7640\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7682\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5015 - acc: 0.7587\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5003 - acc: 0.7585\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7693\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7663\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4970 - acc: 0.7645\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4946 - acc: 0.7620\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7615\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7640\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7626\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7681\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4922 - acc: 0.7678\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7668\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7675\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7675\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7642\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7689\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7671\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7708\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7627\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7719\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7699\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7663\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7717\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7726\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4883 - acc: 0.7699\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7730\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7707\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7743\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7710\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7640\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7744\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7737\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7728\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7701\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7729\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7744\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4831 - acc: 0.7723\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4996 - acc: 0.7641\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5063 - acc: 0.7578\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5034 - acc: 0.7598\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4997 - acc: 0.7624\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7623\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7648\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5012 - acc: 0.7622\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.5004 - acc: 0.7608\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7656\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4984 - acc: 0.7681\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7624\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7655\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4960 - acc: 0.7657\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7657\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7700\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7688\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7655\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7652\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7657\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4922 - acc: 0.7695\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7681\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7668\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7722\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7673\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7725\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7712\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7689\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7721\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7682\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7675\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7690\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7645\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7744\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7708\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7743\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4892 - acc: 0.7722\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7601\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7677\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7772\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4910 - acc: 0.7682\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7714\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7733\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 10us/step - loss: 0.4842 - acc: 0.7767\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7776\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7703\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7745\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7739\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7737\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7734\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7750\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5012 - acc: 0.7608\n",
+      "Epoch 2/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7646\n",
+      "Epoch 3/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7622\n",
+      "Epoch 4/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7623\n",
+      "Epoch 5/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7619\n",
+      "Epoch 6/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7675\n",
+      "Epoch 7/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4981 - acc: 0.7649\n",
+      "Epoch 8/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7620\n",
+      "Epoch 9/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7640\n",
+      "Epoch 10/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4955 - acc: 0.7663\n",
+      "Epoch 11/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7678\n",
+      "Epoch 12/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7682\n",
+      "Epoch 13/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4960 - acc: 0.7652\n",
+      "Epoch 14/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7666\n",
+      "Epoch 15/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7701\n",
+      "Epoch 16/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7707\n",
+      "Epoch 17/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7704\n",
+      "Epoch 18/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7684\n",
+      "Epoch 19/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7693\n",
+      "Epoch 20/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7710\n",
+      "Epoch 21/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7656\n",
+      "Epoch 22/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7645\n",
+      "Epoch 23/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4900 - acc: 0.7728\n",
+      "Epoch 24/50\n",
+      "7274/7274 [==============================] - 0s 13us/step - loss: 0.4920 - acc: 0.7708\n",
+      "Epoch 25/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4900 - acc: 0.7668\n",
+      "Epoch 26/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7733\n",
+      "Epoch 27/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7708\n",
+      "Epoch 28/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7686\n",
+      "Epoch 29/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7678\n",
+      "Epoch 30/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4895 - acc: 0.7722\n",
+      "Epoch 31/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7693\n",
+      "Epoch 32/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7717\n",
+      "Epoch 33/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4875 - acc: 0.7726\n",
+      "Epoch 34/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4897 - acc: 0.7721\n",
+      "Epoch 35/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7682\n",
+      "Epoch 36/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4857 - acc: 0.7756\n",
+      "Epoch 37/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4918 - acc: 0.7664\n",
+      "Epoch 38/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4853 - acc: 0.7770\n",
+      "Epoch 39/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7745\n",
+      "Epoch 40/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4940 - acc: 0.7685\n",
+      "Epoch 41/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7711\n",
+      "Epoch 42/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4898 - acc: 0.7689\n",
+      "Epoch 43/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7745\n",
+      "Epoch 44/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7745\n",
+      "Epoch 45/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7708\n",
+      "Epoch 46/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7737\n",
+      "Epoch 47/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7710\n",
+      "Epoch 48/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4849 - acc: 0.7794\n",
+      "Epoch 49/50\n",
+      "7274/7274 [==============================] - 0s 12us/step - loss: 0.4823 - acc: 0.7752\n",
+      "Epoch 50/50\n",
+      "7274/7274 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7722\n",
+      "   0.8499156572015303\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4994 - acc: 0.7607\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4990 - acc: 0.7687\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5020 - acc: 0.7611\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5009 - acc: 0.7603\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5047 - acc: 0.7604\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4953 - acc: 0.7666\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7634\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7695\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7665\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7669\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7656\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4982 - acc: 0.7626\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4956 - acc: 0.7702\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7634\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7663\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5011 - acc: 0.7596\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7680\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7699\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4927 - acc: 0.7674\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7704\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4919 - acc: 0.7707\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4927 - acc: 0.7671\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7669\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7700\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7703\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4893 - acc: 0.7714\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7676\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7713\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7691\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4884 - acc: 0.7728\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7731\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4919 - acc: 0.7663\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4864 - acc: 0.7735\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7739\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7753\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4916 - acc: 0.7663\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4878 - acc: 0.7731\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7713\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4891 - acc: 0.7699\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7766\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7755\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7725\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7687\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7726\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4900 - acc: 0.7704\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7733\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7732\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7724\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7761\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4823 - acc: 0.7757\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5025 - acc: 0.7632\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4991 - acc: 0.7641\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4985 - acc: 0.7648\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7604\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4999 - acc: 0.7655\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7692\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7644\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4987 - acc: 0.7693\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4988 - acc: 0.7666\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7693\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7682\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5027 - acc: 0.7605\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7640\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7648\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4995 - acc: 0.7656\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7691\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7676\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7706\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4933 - acc: 0.7669\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7684\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7637\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7754\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7688\n",
+      "Epoch 24/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7724\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7687\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7728\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7711\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7717\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7693\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7699\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7735\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7739\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7744\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7747\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7788\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7726\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7731\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7740\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7684\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7764\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7715\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7775\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7746\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7739\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7715\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7729\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7729\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7747\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7676\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7732\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4995 - acc: 0.7633\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5009 - acc: 0.7599\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5022 - acc: 0.7601\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5021 - acc: 0.7604\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7600\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4996 - acc: 0.7641\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7669\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7685\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5025 - acc: 0.7612\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5028 - acc: 0.7604\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4984 - acc: 0.7610\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5030 - acc: 0.7595\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7611\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7669\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7656\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7641\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7706\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7662\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4928 - acc: 0.7702\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4953 - acc: 0.7677\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5009 - acc: 0.7634\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7673\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7691\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7707\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7703\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4924 - acc: 0.7693\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7702\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7700\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7709\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7703\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7681\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7718\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7707\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7674\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7740\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4870 - acc: 0.7754\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7721\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7717\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7757\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7742\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7751\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7703\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7753\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7753\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7715\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7729\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7720\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7700\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7755\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4889 - acc: 0.7709\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5072 - acc: 0.7575\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5001 - acc: 0.7654\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5043 - acc: 0.7614\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7629\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5004 - acc: 0.7614\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7673\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5016 - acc: 0.7643\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7673\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7622\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5038 - acc: 0.7577\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5026 - acc: 0.7589\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7670\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7671\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7671\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7621\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7662\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7699\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7623\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7666\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4942 - acc: 0.7696\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7707\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7714\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7706\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7651\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7711\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7733\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7685\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7693\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7729\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7671\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7684\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7711\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7695\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7669\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7710\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7647\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7722\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7761\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7692\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7759\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7673\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7687\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7693\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7684\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7699\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7700\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7765\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7715\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7731\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7758\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7643\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5009 - acc: 0.7633\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5009 - acc: 0.7588\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5055 - acc: 0.7570\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7656\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4987 - acc: 0.7607\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7676\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5023 - acc: 0.7618\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4947 - acc: 0.7676\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7674\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7684\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5041 - acc: 0.7600\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4974 - acc: 0.7655\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7680\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7648\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4958 - acc: 0.7691\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7703\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7619\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7698\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7670\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7698\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7685\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7710\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7681\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7714\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7735\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4914 - acc: 0.7710\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7714\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7751\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7721\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7651\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7729\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7717\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7721\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7737\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7715\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7696\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7735\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7747\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7731\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7753\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7765\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7747\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7757\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7721\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7728\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7726\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7748\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4866 - acc: 0.7735\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4897 - acc: 0.7696\n",
+      "   0.8483720559762762\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4986 - acc: 0.7658\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7684\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5046 - acc: 0.7567\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4969 - acc: 0.7684\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4976 - acc: 0.7654\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7638\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7667\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5013 - acc: 0.7671\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4947 - acc: 0.7692\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4957 - acc: 0.7684\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7711\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4933 - acc: 0.7700\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4938 - acc: 0.7688\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7676\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4911 - acc: 0.7710\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4942 - acc: 0.7677\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4983 - acc: 0.7670\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4943 - acc: 0.7699\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7714\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7656\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7700\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5056 - acc: 0.7586\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7724\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7703\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7714\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4974 - acc: 0.7654\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7680\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7732\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4914 - acc: 0.7695\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7724\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7689\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4851 - acc: 0.7759\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4915 - acc: 0.7737\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7715\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7750\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7699\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7735\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4913 - acc: 0.7674\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7706\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7753\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7765\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4885 - acc: 0.7725\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4861 - acc: 0.7754\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7754\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7759\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7751\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7799\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4903 - acc: 0.7691\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7744\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4824 - acc: 0.7740\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5000 - acc: 0.7640\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7644\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5009 - acc: 0.7618\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4974 - acc: 0.7614\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4978 - acc: 0.7676\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4960 - acc: 0.7700\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7687\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7665\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7663\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7693\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4959 - acc: 0.7693\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4991 - acc: 0.7656\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7702\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7700\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7726\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7721\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7678\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7721\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7689\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7711\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7651\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4877 - acc: 0.7740\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7747\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4905 - acc: 0.7684\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7698\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7764\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7704\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7703\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7706\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7758\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7770\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7750\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7780\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4921 - acc: 0.7692\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7757\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7787\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4921 - acc: 0.7713\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7718\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7724\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7743\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7721\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7797\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7721\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7794\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4845 - acc: 0.7731\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7700\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7783\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7779\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7733\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7721\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7638\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5062 - acc: 0.7596\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7678\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5012 - acc: 0.7637\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4960 - acc: 0.7676\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4963 - acc: 0.7689\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5030 - acc: 0.7590\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7702\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7665\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4925 - acc: 0.7702\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7618\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4994 - acc: 0.7656\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7671\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7667\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7699\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7713\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7693\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7682\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4930 - acc: 0.7746\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7637\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7743\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4926 - acc: 0.7685\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7720\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7736\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7742\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4916 - acc: 0.7682\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4882 - acc: 0.7755\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7706\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7724\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7757\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4881 - acc: 0.7748\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7713\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7757\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7699\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7751\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7740\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7717\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7729\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7751\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7709\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7736\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7743\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7753\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7777\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7726\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7787\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7742\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7732\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7775\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7794\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5020 - acc: 0.7614\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5024 - acc: 0.7625\n",
+      "Epoch 3/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7647\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5001 - acc: 0.7627\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4972 - acc: 0.7696\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7677\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4931 - acc: 0.7706\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5021 - acc: 0.7603\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7665\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7659\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4944 - acc: 0.7691\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7722\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7669\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7709\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7665\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4949 - acc: 0.7674\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7677\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7693\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4905 - acc: 0.7706\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7747\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7724\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7667\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7715\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4997 - acc: 0.7660\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7754\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4888 - acc: 0.7720\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7731\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7740\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7718\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7713\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7656\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7673\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7684\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7758\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7777\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7644\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7758\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4888 - acc: 0.7746\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7758\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7754\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7768\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7706\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7794\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4880 - acc: 0.7715\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4848 - acc: 0.7751\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7735\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7733\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7750\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7764\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7766\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7663\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7681\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5005 - acc: 0.7644\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5021 - acc: 0.7601\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7654\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7621\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7703\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7655\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7654\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7666\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7658\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4970 - acc: 0.7687\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7660\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7700\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7656\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7698\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7684\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7654\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4911 - acc: 0.7737\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4991 - acc: 0.7636\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7711\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7711\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4944 - acc: 0.7711\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7698\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7684\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7636\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7748\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7700\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7743\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4905 - acc: 0.7706\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4875 - acc: 0.7754\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7766\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7703\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7729\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4871 - acc: 0.7742\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7724\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4927 - acc: 0.7693\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7755\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7715\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7794\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7728\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7751\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7728\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7731\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7758\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7713\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4867 - acc: 0.7726\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7769\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7748\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7766\n",
+      "   0.8365224370757053\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4999 - acc: 0.7641\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4970 - acc: 0.7612\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7651\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7652\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4965 - acc: 0.7637\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7663\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4958 - acc: 0.7676\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7674\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7663\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7689\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7669\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5007 - acc: 0.7577\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7669\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7643\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7681\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7676\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4920 - acc: 0.7696\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7700\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7654\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7702\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7682\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7695\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7689\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7711\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7660\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7702\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4899 - acc: 0.7693\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7654\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7737\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7685\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7702\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7688\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7700\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7715\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7725\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7724\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4879 - acc: 0.7731\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4913 - acc: 0.7702\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4850 - acc: 0.7736\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7710\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7743\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4857 - acc: 0.7746\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4857 - acc: 0.7728\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7715\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4813 - acc: 0.7748\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4837 - acc: 0.7746\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4823 - acc: 0.7757\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7765\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7779\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7684\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4991 - acc: 0.7649\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5026 - acc: 0.7616\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7621\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7671\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7601\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7649\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7654\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7665\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7630\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4957 - acc: 0.7684\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7685\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4921 - acc: 0.7713\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7682\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7629\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7676\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7671\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7663\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7704\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4950 - acc: 0.7671\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4936 - acc: 0.7652\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7688\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7636\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7709\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4900 - acc: 0.7710\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4907 - acc: 0.7735\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7703\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7688\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7644\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7685\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7728\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4889 - acc: 0.7688\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4893 - acc: 0.7699\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4878 - acc: 0.7687\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7755\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7737\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7704\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4870 - acc: 0.7665\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7775\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7722\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7691\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7720\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7748\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7731\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4843 - acc: 0.7757\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4889 - acc: 0.7707\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7739\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7693\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7726\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7696\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4817 - acc: 0.7772\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7634\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5032 - acc: 0.7596\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7627\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7600\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4969 - acc: 0.7671\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7669\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4970 - acc: 0.7625\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7652\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7656\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5032 - acc: 0.7577\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7709\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7648\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4959 - acc: 0.7644\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7659\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7706\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4990 - acc: 0.7636\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7616\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7718\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4957 - acc: 0.7648\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7673\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4915 - acc: 0.7720\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7689\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7711\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7689\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4942 - acc: 0.7673\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4880 - acc: 0.7722\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7689\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7726\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7707\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7693\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7695\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7739\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7684\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4877 - acc: 0.7706\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7742\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7795\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7700\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7753\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7698\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7735\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7715\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7654\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7714\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7742\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7737\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7747\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7722\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7742\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7682\n",
+      "Epoch 50/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7713\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5012 - acc: 0.7638\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5007 - acc: 0.7637\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4978 - acc: 0.7662\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5015 - acc: 0.7615\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5005 - acc: 0.7614\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7640\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7623\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7622\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7676\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7669\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7600\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7645\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7684\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7630\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7713\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4930 - acc: 0.7659\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7687\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7684\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7684\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7702\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7680\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4946 - acc: 0.7641\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7706\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7671\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4890 - acc: 0.7742\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7684\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4893 - acc: 0.7689\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7703\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7689\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7733\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4894 - acc: 0.7660\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7740\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7724\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7689\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7704\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7702\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4893 - acc: 0.7698\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7733\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7681\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7689\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7728\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7732\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7718\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4854 - acc: 0.7768\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7755\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7704\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7755\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7726\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4826 - acc: 0.7733\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7739\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7611\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4988 - acc: 0.7644\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7643\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5005 - acc: 0.7651\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5030 - acc: 0.7578\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7665\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7658\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4981 - acc: 0.7678\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7665\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7671\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7682\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7695\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7662\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7693\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7647\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7662\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7662\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7696\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4934 - acc: 0.7654\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7693\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7680\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7667\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7699\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4984 - acc: 0.7632\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7702\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7721\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7696\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7687\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4897 - acc: 0.7662\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7744\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7693\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7715\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7660\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7671\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7707\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7703\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7751\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4874 - acc: 0.7736\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7713\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7715\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7710\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7740\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7707\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7724\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4841 - acc: 0.7755\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7773\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7744\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7750\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4826 - acc: 0.7753\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7726\n",
+      "   0.8435838051123693\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4971 - acc: 0.7643\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5007 - acc: 0.7626\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7643\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4978 - acc: 0.7632\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7592\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5010 - acc: 0.7627\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4995 - acc: 0.7626\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4983 - acc: 0.7632\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7621\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5009 - acc: 0.7590\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4944 - acc: 0.7682\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7636\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7633\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4956 - acc: 0.7633\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5118 - acc: 0.7501\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4935 - acc: 0.7669\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7715\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4922 - acc: 0.7680\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7680\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7648\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7726\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7696\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7693\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4895 - acc: 0.7721\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7706\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7713\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4893 - acc: 0.7677\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7684\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7693\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4876 - acc: 0.7710\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7634\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7758\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7748\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7755\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4863 - acc: 0.7714\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7695\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7748\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7670\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4870 - acc: 0.7764\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4885 - acc: 0.7707\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4867 - acc: 0.7702\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7718\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7725\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7717\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7765\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7753\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7750\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7755\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4859 - acc: 0.7733\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7773\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7582\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7645\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5071 - acc: 0.7542\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5072 - acc: 0.7537\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5040 - acc: 0.7545\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4997 - acc: 0.7604\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7671\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7637\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7649\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5026 - acc: 0.7611\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7689\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 14us/step - loss: 0.4962 - acc: 0.7670\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7629\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4978 - acc: 0.7634\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7666\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7682\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7669\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7695\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7627\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7659\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7603\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7746\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4931 - acc: 0.7644\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4988 - acc: 0.7677\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7692\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7725\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7707\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7637\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7692\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7659\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7724\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4937 - acc: 0.7660\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7755\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7729\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7737\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7665\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7663\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4906 - acc: 0.7651\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7728\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7755\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7711\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7728\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7758\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4903 - acc: 0.7682\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7748\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4826 - acc: 0.7754\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4831 - acc: 0.7777\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7740\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7702\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7779\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4975 - acc: 0.7677\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7626\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5003 - acc: 0.7618\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4996 - acc: 0.7633\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4983 - acc: 0.7671\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7649\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4986 - acc: 0.7660\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7680\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4953 - acc: 0.7674\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7682\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7670\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7689\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7682\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7669\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5044 - acc: 0.7595\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4995 - acc: 0.7638\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7644\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7685\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7634\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7693\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7713\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7660\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4916 - acc: 0.7678\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5020 - acc: 0.7636\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7699\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7670\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7689\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7663\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4956 - acc: 0.7654\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7684\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7656\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7733\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7706\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7739\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7688\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7703\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4877 - acc: 0.7754\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7714\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4876 - acc: 0.7714\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7751\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7715\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7761\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7750\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7736\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7713\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7732\n",
+      "Epoch 47/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4863 - acc: 0.7718\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7715\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7696\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7713\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7611\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7641\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4984 - acc: 0.7641\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5008 - acc: 0.7636\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5150 - acc: 0.7475\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5005 - acc: 0.7636\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7659\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7677\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7665\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7662\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7676\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7725\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7684\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7687\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5002 - acc: 0.7644\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7706\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7671\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4974 - acc: 0.7638\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7698\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7678\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7649\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7685\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7703\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4948 - acc: 0.7637\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7659\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7654\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7721\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7713\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7742\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7663\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4867 - acc: 0.7681\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4855 - acc: 0.7742\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4869 - acc: 0.7721\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7671\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7693\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7726\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7722\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7736\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7736\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4867 - acc: 0.7724\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7740\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4831 - acc: 0.7776\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7729\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7715\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4844 - acc: 0.7748\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7744\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7728\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7689\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7736\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7768\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7648\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4986 - acc: 0.7652\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7685\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7622\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5002 - acc: 0.7638\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7634\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4985 - acc: 0.7614\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4969 - acc: 0.7623\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7695\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7685\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7677\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4974 - acc: 0.7663\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7667\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4955 - acc: 0.7691\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7658\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7680\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7682\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7722\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4981 - acc: 0.7633\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7682\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7684\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7691\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7710\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7688\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7733\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7769\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7687\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7700\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7684\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7764\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7693\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7739\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7736\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7726\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7685\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4856 - acc: 0.7742\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7721\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7742\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7721\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7717\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4847 - acc: 0.7750\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7739\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7729\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7678\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7728\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7660\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7757\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4852 - acc: 0.7739\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7769\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4874 - acc: 0.7703\n",
+      "   0.8457772712790727\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4991 - acc: 0.7636\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5010 - acc: 0.7626\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5005 - acc: 0.7612\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7676\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7614\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5029 - acc: 0.7615\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4996 - acc: 0.7604\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4974 - acc: 0.7641\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7671\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4984 - acc: 0.7651\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7674\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4948 - acc: 0.7691\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4963 - acc: 0.7637\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5000 - acc: 0.7595\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7676\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7677\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5004 - acc: 0.7616\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7663\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 15us/step - loss: 0.4910 - acc: 0.7724\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 13us/step - loss: 0.4921 - acc: 0.7689\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 16us/step - loss: 0.4935 - acc: 0.7673\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 16us/step - loss: 0.4894 - acc: 0.7703\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 14us/step - loss: 0.4905 - acc: 0.7733\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7685\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7699\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4892 - acc: 0.7721\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7722\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7638\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7663\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7739\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7722\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7698\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7692\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7724\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7725\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7692\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7671\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7720\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7762\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7706\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7707\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7729\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7747\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7747\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7669\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7700\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7731\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7735\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4834 - acc: 0.7750\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4841 - acc: 0.7735\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4987 - acc: 0.7658\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4978 - acc: 0.7634\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7641\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5027 - acc: 0.7615\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4994 - acc: 0.7660\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7669\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7647\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4988 - acc: 0.7641\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5040 - acc: 0.7621\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7629\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7665\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7689\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7655\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7640\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4934 - acc: 0.7643\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7658\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7669\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4960 - acc: 0.7638\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7611\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4912 - acc: 0.7680\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7688\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7684\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7674\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7640\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7674\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7692\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7673\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7709\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4905 - acc: 0.7678\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7700\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4899 - acc: 0.7717\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7682\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7737\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7717\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7698\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7740\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7678\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4871 - acc: 0.7724\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4891 - acc: 0.7684\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7713\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4843 - acc: 0.7740\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4892 - acc: 0.7695\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7706\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4886 - acc: 0.7728\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7680\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7737\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7724\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7725\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7744\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7722\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5001 - acc: 0.7623\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4990 - acc: 0.7655\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5001 - acc: 0.7630\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4981 - acc: 0.7610\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7654\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4989 - acc: 0.7605\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4971 - acc: 0.7648\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7655\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4957 - acc: 0.7687\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7599\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7685\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7673\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7669\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7644\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7667\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7660\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7695\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7603\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7660\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7670\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7658\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4900 - acc: 0.7709\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7733\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4885 - acc: 0.7714\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7702\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7681\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7689\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7665\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7722\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7725\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7742\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7753\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7764\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7724\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7687\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7704\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4868 - acc: 0.7704\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7711\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4847 - acc: 0.7736\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4888 - acc: 0.7711\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7740\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7729\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7702\n",
+      "Epoch 44/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7728\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4847 - acc: 0.7725\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7754\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4856 - acc: 0.7737\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7764\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7743\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7728\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5027 - acc: 0.7614\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5003 - acc: 0.7595\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5020 - acc: 0.7629\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7645\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7621\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7665\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5027 - acc: 0.7577\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7669\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4937 - acc: 0.7678\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7666\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4954 - acc: 0.7649\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7637\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7666\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4987 - acc: 0.7703\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7625\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4922 - acc: 0.7673\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7638\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5016 - acc: 0.7652\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7687\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7673\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7722\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7670\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7724\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7747\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7742\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 14us/step - loss: 0.4930 - acc: 0.7733\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7706\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7696\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7710\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7714\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7703\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7693\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7707\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 13us/step - loss: 0.4943 - acc: 0.7680\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7711\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7692\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7654\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7677\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7736\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7718\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7715\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7680\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7732\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4843 - acc: 0.7750\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7748\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7685\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7753\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7724\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4844 - acc: 0.7746\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7755\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5016 - acc: 0.7605\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4995 - acc: 0.7654\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7658\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5024 - acc: 0.7638\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5021 - acc: 0.7623\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5073 - acc: 0.7556\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5033 - acc: 0.7621\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4976 - acc: 0.7649\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5055 - acc: 0.7582\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7637\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7644\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7633\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7663\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4962 - acc: 0.7677\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7660\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7662\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7695\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7659\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4937 - acc: 0.7692\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4972 - acc: 0.7676\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7663\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7751\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4889 - acc: 0.7687\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5050 - acc: 0.7564\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7674\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7691\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7717\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7665\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7718\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7644\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7673\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7703\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7673\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7704\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7718\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7643\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7718\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7709\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7696\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7729\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7718\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7659\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7747\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7746\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4841 - acc: 0.7728\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7700\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7685\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7714\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4847 - acc: 0.7717\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7702\n",
+      "   0.8442026321594002\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4988 - acc: 0.7645\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4985 - acc: 0.7658\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4959 - acc: 0.7632\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4982 - acc: 0.7658\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4976 - acc: 0.7666\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7671\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4922 - acc: 0.7709\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7647\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4925 - acc: 0.7691\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4950 - acc: 0.7674\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7704\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7713\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5002 - acc: 0.7608\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4935 - acc: 0.7630\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7696\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7709\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4921 - acc: 0.7699\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7691\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7731\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4871 - acc: 0.7743\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4905 - acc: 0.7678\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7671\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4935 - acc: 0.7693\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4915 - acc: 0.7688\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7729\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4884 - acc: 0.7717\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7733\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4924 - acc: 0.7685\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7703\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7743\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7725\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7691\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7725\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7715\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7735\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7726\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4836 - acc: 0.7742\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7700\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4883 - acc: 0.7720\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4817 - acc: 0.7769\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7739\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7772\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7753\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4814 - acc: 0.7791\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4881 - acc: 0.7691\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4864 - acc: 0.7721\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4813 - acc: 0.7755\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7755\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7777\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4830 - acc: 0.7757\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4982 - acc: 0.7634\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7658\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7651\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7689\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7636\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7629\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4973 - acc: 0.7678\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7625\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4908 - acc: 0.7706\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7696\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4898 - acc: 0.7695\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7731\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4915 - acc: 0.7703\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7691\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4928 - acc: 0.7669\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5011 - acc: 0.7622\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7698\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7714\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7691\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4906 - acc: 0.7695\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7662\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7684\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7702\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7706\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7746\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4889 - acc: 0.7736\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7706\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7688\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7711\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7753\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7759\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7746\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7710\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4862 - acc: 0.7725\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4864 - acc: 0.7731\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7754\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4892 - acc: 0.7747\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4826 - acc: 0.7758\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4816 - acc: 0.7762\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7729\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7765\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7742\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4813 - acc: 0.7762\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4837 - acc: 0.7720\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7725\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7721\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4844 - acc: 0.7746\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4801 - acc: 0.7790\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7704\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4776 - acc: 0.7780\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7671\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7678\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4949 - acc: 0.7638\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4929 - acc: 0.7693\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4964 - acc: 0.7659\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7689\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7652\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4908 - acc: 0.7699\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4941 - acc: 0.7641\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7698\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7676\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7699\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7699\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4918 - acc: 0.7677\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4946 - acc: 0.7674\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7704\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7711\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7647\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7713\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7709\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7691\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7726\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7711\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7735\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7722\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7739\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7693\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7707\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7726\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7680\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7728\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7713\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4873 - acc: 0.7721\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7704\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7721\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7758\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7750\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4809 - acc: 0.7772\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4834 - acc: 0.7732\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7673\n",
+      "Epoch 41/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7783\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7744\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7637\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7753\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4817 - acc: 0.7770\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4803 - acc: 0.7772\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4826 - acc: 0.7788\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7759\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4802 - acc: 0.7773\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4809 - acc: 0.7802\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4966 - acc: 0.7660\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5006 - acc: 0.7619\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5014 - acc: 0.7627\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4969 - acc: 0.7643\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4948 - acc: 0.7677\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7676\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7656\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4944 - acc: 0.7691\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 13us/step - loss: 0.4965 - acc: 0.7626\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7654\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7658\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4947 - acc: 0.7656\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7710\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7656\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7676\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4910 - acc: 0.7687\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7726\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7702\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7658\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7714\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7692\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7732\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7703\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7737\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7692\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7625\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4912 - acc: 0.7691\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4834 - acc: 0.7742\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4898 - acc: 0.7700\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7691\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7714\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7751\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4889 - acc: 0.7698\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7742\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4862 - acc: 0.7758\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7740\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7757\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4827 - acc: 0.7747\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4812 - acc: 0.7788\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4815 - acc: 0.7777\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7766\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4888 - acc: 0.7736\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4822 - acc: 0.7781\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7788\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4836 - acc: 0.7731\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4818 - acc: 0.7757\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7726\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4809 - acc: 0.7791\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4797 - acc: 0.7806\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7776\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4966 - acc: 0.7623\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4995 - acc: 0.7652\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7715\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7658\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4961 - acc: 0.7610\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7656\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7640\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7669\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4931 - acc: 0.7656\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4904 - acc: 0.7709\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4940 - acc: 0.7663\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4918 - acc: 0.7704\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7673\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4948 - acc: 0.7667\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7660\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7682\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4932 - acc: 0.7681\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7743\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7731\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4911 - acc: 0.7700\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4901 - acc: 0.7754\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4887 - acc: 0.7699\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4878 - acc: 0.7698\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7695\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7736\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4858 - acc: 0.7753\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4860 - acc: 0.7732\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7750\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7677\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7736\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7663\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7713\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4881 - acc: 0.7714\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4831 - acc: 0.7737\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4835 - acc: 0.7780\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7751\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4941 - acc: 0.7685\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7769\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7765\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4853 - acc: 0.7729\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4801 - acc: 0.7769\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7759\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4844 - acc: 0.7722\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7751\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7748\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4814 - acc: 0.7750\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7766\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4842 - acc: 0.7765\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4821 - acc: 0.7773\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4785 - acc: 0.7792\n",
+      "   0.8222526529912015\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5017 - acc: 0.7632\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5019 - acc: 0.7585\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5037 - acc: 0.7612\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4957 - acc: 0.7665\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7666\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4949 - acc: 0.7651\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7656\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7655\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4927 - acc: 0.7707\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7670\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7688\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4960 - acc: 0.7597\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7663\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7702\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4912 - acc: 0.7702\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7702\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7693\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4959 - acc: 0.7651\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4921 - acc: 0.7699\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4911 - acc: 0.7663\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4951 - acc: 0.7670\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4923 - acc: 0.7702\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4907 - acc: 0.7703\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7711\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7698\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7698\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7700\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7703\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4852 - acc: 0.7757\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4881 - acc: 0.7695\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7748\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7714\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7707\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7766\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7695\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4850 - acc: 0.7759\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7753\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4836 - acc: 0.7744\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4872 - acc: 0.7709\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7702\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4825 - acc: 0.7758\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7715\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7733\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4822 - acc: 0.7770\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7736\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7769\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7703\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4824 - acc: 0.7735\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4819 - acc: 0.7772\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4794 - acc: 0.7784\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5017 - acc: 0.7600\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7684\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7667\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7629\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4979 - acc: 0.7656\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7689\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7684\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4950 - acc: 0.7655\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7684\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.5012 - acc: 0.7566\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4974 - acc: 0.7590\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4993 - acc: 0.7607\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4977 - acc: 0.7658\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4922 - acc: 0.7713\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7669\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7682\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4915 - acc: 0.7710\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4887 - acc: 0.7677\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4898 - acc: 0.7711\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4904 - acc: 0.7667\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4996 - acc: 0.7571\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4920 - acc: 0.7688\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7737\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7682\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7707\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7732\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4845 - acc: 0.7709\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7703\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7728\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7728\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4862 - acc: 0.7744\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7666\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7750\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7731\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4851 - acc: 0.7729\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7695\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7780\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7765\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4839 - acc: 0.7729\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7769\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4882 - acc: 0.7736\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7739\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7757\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4849 - acc: 0.7814\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7744\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4811 - acc: 0.7754\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7783\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4828 - acc: 0.7765\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4823 - acc: 0.7775\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4812 - acc: 0.7762\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.5041 - acc: 0.7593\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4968 - acc: 0.7667\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7651\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4978 - acc: 0.7619\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7644\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4946 - acc: 0.7648\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4998 - acc: 0.7622\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4926 - acc: 0.7673\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4936 - acc: 0.7671\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4939 - acc: 0.7663\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4894 - acc: 0.7696\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4925 - acc: 0.7651\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4952 - acc: 0.7637\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4913 - acc: 0.7670\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4967 - acc: 0.7667\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7704\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4910 - acc: 0.7670\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7692\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4917 - acc: 0.7663\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7720\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4871 - acc: 0.7707\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4902 - acc: 0.7695\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4903 - acc: 0.7670\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4898 - acc: 0.7688\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4866 - acc: 0.7715\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4874 - acc: 0.7702\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7720\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7742\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7696\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7735\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7692\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4853 - acc: 0.7747\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7750\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7696\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7725\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4864 - acc: 0.7711\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7722\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4825 - acc: 0.7753\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4880 - acc: 0.7720\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7750\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4836 - acc: 0.7702\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4819 - acc: 0.7758\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4811 - acc: 0.7787\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4833 - acc: 0.7773\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7747\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4832 - acc: 0.7736\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4904 - acc: 0.7717\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7773\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4838 - acc: 0.7743\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4823 - acc: 0.7769\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4965 - acc: 0.7655\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4986 - acc: 0.7634\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4992 - acc: 0.7584\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5043 - acc: 0.7611\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7619\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4980 - acc: 0.7601\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4942 - acc: 0.7670\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4938 - acc: 0.7692\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4930 - acc: 0.7669\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7663\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4914 - acc: 0.7674\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4919 - acc: 0.7680\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4953 - acc: 0.7637\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7684\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4936 - acc: 0.7677\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4918 - acc: 0.7660\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7728\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4947 - acc: 0.7674\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4909 - acc: 0.7687\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4900 - acc: 0.7731\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4880 - acc: 0.7691\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4863 - acc: 0.7729\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4913 - acc: 0.7710\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4886 - acc: 0.7718\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4884 - acc: 0.7710\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7693\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4917 - acc: 0.7652\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4887 - acc: 0.7692\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4878 - acc: 0.7671\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4865 - acc: 0.7724\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4861 - acc: 0.7732\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4855 - acc: 0.7728\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4846 - acc: 0.7743\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7707\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4875 - acc: 0.7729\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7724\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7742\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4848 - acc: 0.7747\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7781\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4892 - acc: 0.7671\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4844 - acc: 0.7753\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4836 - acc: 0.7751\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4867 - acc: 0.7707\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4818 - acc: 0.7764\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7750\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4825 - acc: 0.7766\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4830 - acc: 0.7743\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4807 - acc: 0.7769\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7731\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4808 - acc: 0.7757\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4964 - acc: 0.7651\n",
+      "Epoch 2/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.5010 - acc: 0.7608\n",
+      "Epoch 3/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7692\n",
+      "Epoch 4/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7665\n",
+      "Epoch 5/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4941 - acc: 0.7667\n",
+      "Epoch 6/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7693\n",
+      "Epoch 7/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4943 - acc: 0.7667\n",
+      "Epoch 8/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4989 - acc: 0.7622\n",
+      "Epoch 9/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4958 - acc: 0.7629\n",
+      "Epoch 10/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4933 - acc: 0.7662\n",
+      "Epoch 11/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4963 - acc: 0.7629\n",
+      "Epoch 12/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4929 - acc: 0.7721\n",
+      "Epoch 13/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4932 - acc: 0.7676\n",
+      "Epoch 14/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4895 - acc: 0.7717\n",
+      "Epoch 15/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4881 - acc: 0.7724\n",
+      "Epoch 16/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4899 - acc: 0.7696\n",
+      "Epoch 17/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4945 - acc: 0.7660\n",
+      "Epoch 18/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7726\n",
+      "Epoch 19/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4891 - acc: 0.7707\n",
+      "Epoch 20/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4882 - acc: 0.7692\n",
+      "Epoch 21/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4890 - acc: 0.7722\n",
+      "Epoch 22/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4905 - acc: 0.7659\n",
+      "Epoch 23/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4924 - acc: 0.7693\n",
+      "Epoch 24/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4876 - acc: 0.7707\n",
+      "Epoch 25/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4897 - acc: 0.7725\n",
+      "Epoch 26/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4893 - acc: 0.7695\n",
+      "Epoch 27/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4877 - acc: 0.7722\n",
+      "Epoch 28/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4847 - acc: 0.7801\n",
+      "Epoch 29/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4896 - acc: 0.7714\n",
+      "Epoch 30/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4859 - acc: 0.7717\n",
+      "Epoch 31/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4879 - acc: 0.7750\n",
+      "Epoch 32/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4894 - acc: 0.7695\n",
+      "Epoch 33/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4881 - acc: 0.7710\n",
+      "Epoch 34/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4883 - acc: 0.7663\n",
+      "Epoch 35/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4870 - acc: 0.7754\n",
+      "Epoch 36/50\n",
+      "7275/7275 [==============================] - 0s 12us/step - loss: 0.4858 - acc: 0.7724\n",
+      "Epoch 37/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4843 - acc: 0.7744\n",
+      "Epoch 38/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4854 - acc: 0.7748\n",
+      "Epoch 39/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4906 - acc: 0.7684\n",
+      "Epoch 40/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4837 - acc: 0.7742\n",
+      "Epoch 41/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4824 - acc: 0.7764\n",
+      "Epoch 42/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4857 - acc: 0.7711\n",
+      "Epoch 43/50\n",
+      "7275/7275 [==============================] - 0s 10us/step - loss: 0.4851 - acc: 0.7743\n",
+      "Epoch 44/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4820 - acc: 0.7748\n",
+      "Epoch 45/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4840 - acc: 0.7769\n",
+      "Epoch 46/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4797 - acc: 0.7786\n",
+      "Epoch 47/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4829 - acc: 0.7759\n",
+      "Epoch 48/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4823 - acc: 0.7802\n",
+      "Epoch 49/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4825 - acc: 0.7761\n",
+      "Epoch 50/50\n",
+      "7275/7275 [==============================] - 0s 11us/step - loss: 0.4786 - acc: 0.7802\n",
+      "   0.82888513099527\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.27145401, 0.72216815, 0.89101219, ..., 0.1970748 , 0.64862049,\n",
+       "       0.88528073])"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "#Logistic regression (SGD)\n",
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    for mod in range(5):\n",
+    "        print('>>')\n",
+    "        curr_try = 0\n",
+    "        while curr_try <10:\n",
+    "            print('.')\n",
+    "\n",
+    "            model = Sequential()\n",
+    "            model.add(Dense(1, activation='sigmoid'))\n",
+    "            # Compile model\n",
+    "            opt = keras.optimizers.Adam(epsilon=None, amsgrad=True)\n",
+    "            model.compile(loss='binary_crossentropy', optimizer=opt, metrics=['accuracy'])\n",
+    "            \n",
+    "            # Fit the model\n",
+    "            history = model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=0)\n",
+    "            if history.history['acc'][-1] > 0.53:\n",
+    "                break\n",
+    "            else:\n",
+    "                curr_try += 1\n",
+    "\n",
+    "        # Fit the model\n",
+    "        model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=1)\n",
+    "        \n",
+    "        # evaluate the model\n",
+    "        probas_ = model.predict(X[test,:])\n",
+    "        prbs.append(probas_)\n",
+    "    # Average the predictions\n",
+    "    probas_ = np.mean(np.hstack(prbs), axis=1)\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.lr.v4.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8370533804349155\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8573200992555832\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8643731129826793\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8609691689336569\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8549095654731269\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.862216013528417\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8659841188147931\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8646361787123495\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.8428761365585865\n",
+      "   0.8554946940175967\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.29569575, 0.79363506, 0.87995268, ..., 0.2425908 , 0.71409916,\n",
+       "       0.89744282])"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "#Logistic regression (scikit)\n",
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = LogisticRegression(random_state=0)\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.lr2.v4.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      "   0.8877751836594996\n",
+      ">>\n",
+      "   0.8965822831228838\n",
+      ">>\n",
+      "   0.8960688921756774\n",
+      ">>\n",
+      "   0.9045934122490994\n",
+      ">>\n",
+      "   0.9076875474842537\n",
+      ">>\n",
+      "   0.8974830282087102\n",
+      ">>\n",
+      "   0.9089221380780825\n",
+      ">>\n",
+      "   0.9136766904394286\n",
+      ">>\n",
+      "   0.8947411955003308\n",
+      ">>\n",
+      "   0.9068267039188295\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.52053967, 0.55151724, 0.89673963, ..., 0.33650874, 0.7162114 ,\n",
+       "       0.73551716])"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    print('>>')\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = RandomForestClassifier(n_estimators=1000, random_state=0, max_leaf_nodes=200)\n",
+    "    # Fit the model\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "\n",
+    "    \n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "\n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.rf.v4.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      "   0.840451539561662\n",
+      ">>\n",
+      "   0.855633243286191\n",
+      ">>\n",
+      "   0.8512266376560037\n",
+      ">>\n",
+      "   0.8707080361738109\n",
+      ">>\n",
+      "   0.8386454427370537\n",
+      ">>\n",
+      "   0.8562666960762688\n",
+      ">>\n",
+      "   0.8301411660907286\n",
+      ">>\n",
+      "   0.8652703232605446\n",
+      ">>\n",
+      "   0.8698380021076881\n",
+      ">>\n",
+      "   0.8635394456289978\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.61071404, 0.07386691, 0.89655324, ..., 0.19502204, 0.27621208,\n",
+       "       0.96733729])"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    print('>>')\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = SVC(kernel='rbf', gamma='scale', probability=True)\n",
+    "    # Fit the model\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "\n",
+    "    \n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "\n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.svm.v4.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.9.1"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/crossvalidations/confusion-matrices/lazar-all.csv b/crossvalidations/confusion-matrices/lazar-all.csv
new file mode 100644
index 0000000..4123387
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-all.csv
@@ -0,0 +1,2 @@
+3326,833
+583,3039
diff --git a/crossvalidations/confusion-matrices/lazar-cdk-all.csv b/crossvalidations/confusion-matrices/lazar-cdk-all.csv
new file mode 100644
index 0000000..8409b4f
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-cdk-all.csv
@@ -0,0 +1,2 @@
+700,1583
+3390,2410
diff --git a/crossvalidations/confusion-matrices/lazar-cdk-high-confidence.csv b/crossvalidations/confusion-matrices/lazar-cdk-high-confidence.csv
new file mode 100644
index 0000000..8409b4f
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-cdk-high-confidence.csv
@@ -0,0 +1,2 @@
+700,1583
+3390,2410
diff --git a/crossvalidations/confusion-matrices/lazar-high-confidence.csv b/crossvalidations/confusion-matrices/lazar-high-confidence.csv
new file mode 100644
index 0000000..339aa6a
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-high-confidence.csv
@@ -0,0 +1,2 @@
+2816,571
+365,2138
diff --git a/crossvalidations/confusion-matrices/lazar-mp2d-all.csv b/crossvalidations/confusion-matrices/lazar-mp2d-all.csv
new file mode 100644
index 0000000..b8755c4
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-mp2d-all.csv
@@ -0,0 +1,2 @@
+3334,830
+572,3054
diff --git a/crossvalidations/confusion-matrices/lazar-mp2d-high-confidence.csv b/crossvalidations/confusion-matrices/lazar-mp2d-high-confidence.csv
new file mode 100644
index 0000000..e3b2b8e
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-mp2d-high-confidence.csv
@@ -0,0 +1,2 @@
+2807,560
+352,2089
diff --git a/crossvalidations/confusion-matrices/lazar-padel-all.csv b/crossvalidations/confusion-matrices/lazar-padel-all.csv
new file mode 100644
index 0000000..e7ca1d4
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-padel-all.csv
@@ -0,0 +1,2 @@
+593,466
+1253,1777
diff --git a/crossvalidations/confusion-matrices/lazar-padel-high-confidence.csv b/crossvalidations/confusion-matrices/lazar-padel-high-confidence.csv
new file mode 100644
index 0000000..b88df93
--- /dev/null
+++ b/crossvalidations/confusion-matrices/lazar-padel-high-confidence.csv
@@ -0,0 +1,2 @@
+593,466
+1251,1771
diff --git a/crossvalidations/confusion-matrices/tensorflow-all.csv b/crossvalidations/confusion-matrices/tensorflow-all.csv
new file mode 100644
index 0000000..f4b80d7
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-all.csv
@@ -0,0 +1,2 @@
+2507,1528
+1495,2550
diff --git a/crossvalidations/confusion-matrices/tensorflow-lr-cdk.csv b/crossvalidations/confusion-matrices/tensorflow-lr-cdk.csv
new file mode 100644
index 0000000..c1e7ebf
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-lr-cdk.csv
@@ -0,0 +1,2 @@
+3252,768
+880,3165
diff --git a/crossvalidations/confusion-matrices/tensorflow-lr-mp2d.csv b/crossvalidations/confusion-matrices/tensorflow-lr-mp2d.csv
new file mode 100644
index 0000000..6692051
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-lr-mp2d.csv
@@ -0,0 +1,2 @@
+3414,676
+659,3541
diff --git a/crossvalidations/confusion-matrices/tensorflow-lr2-cdk.csv b/crossvalidations/confusion-matrices/tensorflow-lr2-cdk.csv
new file mode 100644
index 0000000..f6d6d9b
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-lr2-cdk.csv
@@ -0,0 +1,2 @@
+3215,805
+794,3251
diff --git a/crossvalidations/confusion-matrices/tensorflow-lr2-mp2d.csv b/crossvalidations/confusion-matrices/tensorflow-lr2-mp2d.csv
new file mode 100644
index 0000000..035d61a
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-lr2-mp2d.csv
@@ -0,0 +1,2 @@
+3398,692
+640,3560
diff --git a/crossvalidations/confusion-matrices/tensorflow-nn-cdk.csv b/crossvalidations/confusion-matrices/tensorflow-nn-cdk.csv
new file mode 100644
index 0000000..7c89e5e
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-nn-cdk.csv
@@ -0,0 +1,2 @@
+3419,601
+610,3435
diff --git a/crossvalidations/confusion-matrices/tensorflow-nn-mp2d.csv b/crossvalidations/confusion-matrices/tensorflow-nn-mp2d.csv
new file mode 100644
index 0000000..6899f39
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-nn-mp2d.csv
@@ -0,0 +1,2 @@
+3375,715
+615,3585
diff --git a/crossvalidations/confusion-matrices/tensorflow-rf-cdk.csv b/crossvalidations/confusion-matrices/tensorflow-rf-cdk.csv
new file mode 100644
index 0000000..2c8c4ed
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-rf-cdk.csv
@@ -0,0 +1,2 @@
+3273,747
+562,3483
diff --git a/crossvalidations/confusion-matrices/tensorflow-rf-mp2d.csv b/crossvalidations/confusion-matrices/tensorflow-rf-mp2d.csv
new file mode 100644
index 0000000..36ca403
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-rf-mp2d.csv
@@ -0,0 +1,2 @@
+3197,893
+742,3458
diff --git a/crossvalidations/confusion-matrices/tensorflow-selected.csv b/crossvalidations/confusion-matrices/tensorflow-selected.csv
new file mode 100644
index 0000000..9d5102e
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-selected.csv
@@ -0,0 +1,2 @@
+2453,1454
+1549,2624
diff --git a/crossvalidations/confusion-matrices/tensorflow-svm-cdk.csv b/crossvalidations/confusion-matrices/tensorflow-svm-cdk.csv
new file mode 100644
index 0000000..ee83739
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-svm-cdk.csv
@@ -0,0 +1,2 @@
+3292,728
+713,3332
diff --git a/crossvalidations/confusion-matrices/tensorflow-svm-mp2d.csv b/crossvalidations/confusion-matrices/tensorflow-svm-mp2d.csv
new file mode 100644
index 0000000..50be84b
--- /dev/null
+++ b/crossvalidations/confusion-matrices/tensorflow-svm-mp2d.csv
@@ -0,0 +1,2 @@
+3390,700
+589,3611
diff --git a/crossvalidations/mp2d/tensorflow/pred.lr.v4_ext.csv b/crossvalidations/mp2d/tensorflow/pred.lr.v4_ext.csv
new file mode 100644
index 0000000..264a5a9
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/pred.lr.v4_ext.csv
@@ -0,0 +1,8310 @@
+name,pred
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.1912190020084381
+O=S1(=O)CC=CC1,0.2732633352279663
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9785264730453491
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.7197576761245728
+C1CCCC2C(CC1)O2,0.1560821384191513
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9044828414916992
+N#[N+]c1nc[nH]c1C(=O)N,0.4945134222507477
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8687348365783691
+NC(=O)Nc1cccc2c1nccc2,0.694683849811554
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.7346611022949219
+O=C(C1(C)OC1)NCc1ccccc1,0.8686090707778931
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.027772773057222366
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.684148907661438
+CCCCCOc1ccc(cc1)N=O,0.5939083099365234
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.846271812915802
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.8403151631355286
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.8583015203475952
+C=CC(=O)OCCCCOC(=O)C=C,0.03507483750581741
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.2066553831100464
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9911779165267944
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9984065294265747
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.20851778984069824
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.4969094395637512
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.23749127984046936
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.8388846516609192
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.15814033150672913
+OC(=O)[C@@H](CCl)Cl,0.08256350457668304
+N#Cc1ccc2c(c1)nc(n2C)N,0.9475515484809875
+Cc1c(C)cccc1N,0.6724556088447571
+Nc1cccc2c1cccc2,0.7374440431594849
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7986949682235718
+O=CCCN(C(=O)OCC)N=O,0.9249623417854309
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8422428369522095
+CCN1CCNC(=O)C1=O,0.33014509081840515
+CC1=NNC(=O)N(C1)N,0.10857057571411133
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9838574528694153
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.9970194101333618
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9998029470443726
+BrCc1cccc(c1)[N+](=O)[O-],0.7069629430770874
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.08630487322807312
+Brc1cc2cccnc2c(c1)C(=O)O,0.038812343031167984
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.1406911015510559
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.949959933757782
+CCOC(=O)CCl,0.08357317745685577
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.9420788884162903
+CN=[N+](C)[O-],0.03464261814951897
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.11334198713302612
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.7584474682807922
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07564471662044525
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.932834267616272
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.046707600355148315
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.4771422743797302
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.17509981989860535
+ClC(Cl)(Cl)Cl,0.3645213842391968
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.012645632028579712
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0.11597143113613129
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8733546137809753
+ClC/C=C/CCl,0.770107626914978
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.7520425915718079
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.20531165599822998
+O1CCOCC1,0.33636027574539185
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.008935538120567799
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9490898847579956
+COc1nc(C)nc(n1)N,0.02229599468410015
+COC(C(Cl)Cl)(F)F,0.19135776162147522
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.7236039042472839
+Cc1ccc(c(c1)O)N,0.4902210831642151
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.05297362804412842
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.04588581621646881
+CCCC(=O)c1cc(O)c(cc1O)O,0.20113208889961243
+CCCCCCC[C@@H]1CCC(=O)O1,0.0259090568870306
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.29400715231895447
+ONc1nc2c(n1C)ccc1c2cccn1,0.9886437654495239
+Oc1nnc(c(n1)O)C,0.36168667674064636
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.008539356291294098
+CC(=O)OO,0.4360632002353668
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.5022995471954346
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.10757794231176376
+Cc1ccc(cc1)C[C@@H]1OC1,0.9531259536743164
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6967126131057739
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.043613407760858536
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.05228022485971451
+CC1=CC(=O)c2c(C1=O)cccc2O,0.8700309991836548
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9254819750785828
+NC1=N[C@@H](CS1)C(=O)O,0.1969844251871109
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.2059832066297531
+O1C[C@@H]1COc1ccccc1,0.9434351921081543
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.18544821441173553
+NCCCN1CCN(CC1)CCCN,0.21642296016216278
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.09254123270511627
+C[N+](Cc1ccccc1)(C)C.Cl,0.042549699544906616
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.006198913790285587
+O=NN1CC(=O)NC1=O,0.8821528553962708
+CNC=O,0.2771508991718292
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9143087267875671
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.4325057864189148
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.5019334554672241
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.007942999713122845
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.011015635915100574
+C=CCN(CC=C)CC=C,0.09050144255161285
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.06526539474725723
+O=C/C=C(/CCC=C(C)C)\C,0.07163303345441818
+CCCCCCCCCCCCS,0.0767582505941391
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9955166578292847
+[O-][N+](=O)c1cccc(c1N)O,0.754288375377655
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.5173863768577576
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.001079900423064828
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.9793033599853516
+CCC=O,0.1754845231771469
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.021532736718654633
+CCCCCCCCCC,0.07010937482118607
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.957075297832489
+CCc1ccccc1,0.19435767829418182
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9673171043395996
+BrCC(=O)Nc1ccccc1,0.20086118578910828
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.01082148589193821
+CNCCCC(=O)O,0.01779143139719963
+CC(=O)[C@H](O)C,0.22202634811401367
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9871845245361328
+CC(OC[C@@H]1OC1)(C)C,0.9722951054573059
+CCCCC=C,0.1386900395154953
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.11653600633144379
+COC(CC(=O)C)(C)C,0.12782689929008484
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.9969711303710938
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.7307928800582886
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.02493038773536682
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.7721558809280396
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9958196878433228
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.9736508131027222
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.8431527018547058
+CCN(N=O)C=O,0.9219152331352234
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.0013901602942496538
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5143679976463318
+CC(=O)c1ccc[nH]1,0.1087474673986435
+NC(=O)c1ccccc1C,0.1310846507549286
+COc1nsc2c1cc(N)cc2,0.9333196878433228
+Cc1ccccc1Br,0.06723789870738983
+C1CCCN1,0.363004207611084
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.062183819711208344
+O=NN(C(=O)N)CC(=O)O,0.9747352600097656
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.8578445315361023
+Brc1ccccc1,0.05682290345430374
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.10664363950490952
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9735113382339478
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7572947144508362
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9886237382888794
+CCCOO,0.7686347961425781
+CC1(CO1)C1CO1,0.9356862306594849
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.5392971038818359
+Ic1cc2cccnc2c(c1)C(=O)O,0.11863751709461212
+CONC(=O)Nc1ccc(cc1)Br,0.10346350818872452
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.003814129624515772
+N#Cc1ccc(cc1)[N+](=O)[O-],0.7662696242332458
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9649604558944702
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.0747504010796547
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.0053701577708125114
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.8822171092033386
+COC(=O)CCC(=O)OC,0.1857912391424179
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.3232654929161072
+C[C@@H]1CC[C@H](CC1)C(C)C,0.14005622267723083
+CCCN(N=O)CCC,0.9769218564033508
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.5252031683921814
+Fc1ccc2c(n1)cccc2,0.6675341725349426
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7717722058296204
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9893274307250977
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.6864913702011108
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9983514547348022
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.015798043459653854
+N#C/C(=C(/C#N)\N)/N,0.35657086968421936
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.0001324850891251117
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.6668065190315247
+COc1cc(Cl)c(cc1Cl)OC,0.0984790250658989
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.022413447499275208
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.934118390083313
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9896971583366394
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9908586740493774
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.999118447303772
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.04736906662583351
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9104568362236023
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.05937005206942558
+O/N=C/1\C=C/C(=N/O)/C=C1,0.5858591794967651
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.3250827193260193
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.9728479385375977
+ClCC[N+](C)(C)C,0.18406891822814941
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.5729506015777588
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.993536114692688
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9598972201347351
+C1CC=C2C(C1)CCc1c2cccc1,0.6367400884628296
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.9813060760498047
+ClCc1ccccn1,0.140726238489151
+ClCC(=C)Br,0.8266097903251648
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.15396085381507874
+COCCOCCOCCOC,0.32614248991012573
+c1ccc2c(c1)c(OCC1CO1)ns2,0.9949519038200378
+Brc1ccc(cc1)[N+](=O)[O-],0.42339444160461426
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.878043532371521
+Oc1ccc(cc1N)S(=O)(=O)O,0.03347140550613403
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.0014597431290894747
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.99846351146698
+C1CCC2(CO1)CO2,0.5406892895698547
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.03440441936254501
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.20028872787952423
+OC/C=C/Cl,0.6231803297996521
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.5566368103027344
+CCCCCCCCCCSCn1cc[n+](c1)C,0.7373093962669373
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3541600704193115
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.08218066394329071
+NC(C(=O)OC(C)(C)C)CN=N#N,0.9871397018432617
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9785407781600952
+CCCCCCCCCCCC=C,0.06036311388015747
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8904752731323242
+Cc1ccc(cc1)N(C(=O)C)O,0.7722641825675964
+CC(=O)n1cncc1,0.17124682664871216
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9745505452156067
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.9057793617248535
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7408409714698792
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.04890001192688942
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.17988058924674988
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6570421457290649
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.2276037037372589
+ICC[C@@H]1OC[C@H](O1)CO,0.928240180015564
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9495335817337036
+N#CC(=C(C#N)C#N)C#N,0.5558952689170837
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.5123090147972107
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9968584775924683
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9731467366218567
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9966983795166016
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.9380961656570435
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.29866066575050354
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.003773630829527974
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.5642303228378296
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12077826261520386
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9808708429336548
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.41372424364089966
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8850986361503601
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9759793281555176
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.968826949596405
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8008699417114258
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.9871257543563843
+OC(=O)c1cccc2c1snn2,0.023567143827676773
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.017979394644498825
+NC(=O)NNC(=O)N,0.8554593920707703
+Nc1ccc2c(-c3ccccc3C2)c1,0.9503974914550781
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.8720995187759399
+CCOc1ccc2c(c1)sc(n2)N,0.6326385736465454
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.8111597895622253
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.9940904378890991
+CN1CN(C)CSC1=S,0.055835891515016556
+O=Nc1ccc(cc1)Nc1ccccc1,0.8107051849365234
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.34193524718284607
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9257203340530396
+OC(=O)c1ccc(c2c1snn2)O,0.06013474613428116
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.004710640758275986
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.10905633121728897
+CCc1cnccn1,0.035033274441957474
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9641828536987305
+NCC1(C)CC(N)CC(C1)(C)C,0.03134036809206009
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.6164249777793884
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.10841941833496094
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.025145158171653748
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.005334063433110714
+OCCN1CCNCC1,0.17347314953804016
+COC(=O)c1ccccc1C(=O)OC,0.20095260441303253
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.03124808892607689
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.9722231030464172
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8794835209846497
+BrCCCCBr,0.8944604992866516
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9797976613044739
+O/N=C/C=N/O,0.29711824655532837
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.14926055073738098
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.7963162660598755
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.04879995808005333
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.9619728326797485
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.05807850509881973
+N#CCCC#N,0.2776440978050232
+Nc1nc2-c3cccnc3CCc2s1,0.11845283210277557
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.5014229416847229
+CC(C(CCl)Br)Br,0.9255785942077637
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.015052775852382183
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.009077529422938824
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9735652804374695
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.06123082712292671
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.29650089144706726
+ClCc1c2ccccc2c(c2c1cccc2)C,0.9080116152763367
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.25750237703323364
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.0005902866832911968
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5611670613288879
+ClC[Si](C=C)(C)C,0.4961331784725189
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.6440489888191223
+O=c1[nH]cc(cc1N)c1ccncc1,0.7456297874450684
+CCNS(=O)(=O)c1ccccc1C,0.01655307039618492
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.18731684982776642
+CSC(/C=N/O)(C)C,0.06334806978702545
+Nc1cccc2c1nc1CCCCc1c2,0.8229821920394897
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.15030118823051453
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.9084059000015259
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9682779312133789
+COc1c2ccc(cc2nc2c1cco2)O,0.7853381037712097
+CC(=O)Nc1ccnc2c1cccc2,0.29350751638412476
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.26047056913375854
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.9242900013923645
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.870941162109375
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0008304903167299926
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.004024147056043148
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.26180562376976013
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.9338897466659546
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.022303298115730286
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.03824799880385399
+CNS(=O)(=O)c1ccc(cc1)N,0.1598283350467682
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.008067039772868156
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9784024357795715
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.009169543161988258
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.9271222352981567
+CC1=CC2CCCCC2c2c1cccc2,0.5706857442855835
+Clc1cc2ccccc2c2c1cccc2,0.8198579549789429
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.7961822152137756
+C=CCc1ccc2c(c1)OCO2,0.300880491733551
+CCc1cc(cc(c1N)CC)c1ccccc1,0.5695089101791382
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9741311073303223
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.004567084833979607
+O=c1c2cccc3c2c2c1cccc2cc3,0.749843955039978
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.8729763031005859
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.0037848115898668766
+O=CC[C@H](CCC=C(C)C)C,0.09208551049232483
+ONc1cccc(c1)C,0.7101348638534546
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.9706039428710938
+OC1=C(O)C(=O)C1=O,0.21919861435890198
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9003992080688477
+Cc1ccc(cc1)CC1OC1,0.9531259536743164
+OC(=O)C[C@@H](C(=O)O)Cl,0.06279168277978897
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.04689700901508331
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.9884425401687622
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.014314730651676655
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9966117143630981
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.027458932250738144
+C1CCC2C(C1)CC1(CC2)CO1,0.05133863538503647
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.8127013444900513
+NCCCN,0.38101762533187866
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9495481252670288
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.0014583973679691553
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.013021336868405342
+OCc1ccc(cc1)F,0.1735972911119461
+FC(C(C(Cl)(F)F)(F)F)Cl,0.01031128503382206
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.03293979540467262
+CC(c1ccc(cc1)C(C)(C)C)O,0.022611379623413086
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.0072673833929002285
+Cc1cc(C)cc(c1)N,0.3827706277370453
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.013821376487612724
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9543999433517456
+NC(=S)Nc1ccccc1,0.45381075143814087
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.9319823980331421
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.918249249458313
+CCc1ccccc1[N+](=O)[O-],0.37876468896865845
+NC(=O)CNC(=O)C=N#N,0.8653078079223633
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6175270676612854
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.30178073048591614
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.03821859136223793
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.47330522537231445
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.9814279675483704
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.10932739824056625
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9991471171379089
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.012713776901364326
+N#CC(O)(C)C,0.09578593820333481
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.0035186372697353363
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.22579726576805115
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.022943153977394104
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.9206430315971375
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.5941691398620605
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7924183011054993
+Clc1cccc2c1cccc2,0.4642910957336426
+CCN=[N+](CC)[O-],0.02935154363512993
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9206932187080383
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.3839748203754425
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.29880672693252563
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.7982491254806519
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.0774691253900528
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.0014704241184517741
+OCCc1c[nH]c2c1cccc2CC,0.21978788077831268
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.4557039737701416
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.09809716045856476
+Cc1cc(N)c(cc1N)C,0.5831378698348999
+CC(=O)c1cccn1[N+](=O)[O-],0.5886644721031189
+C[N+]1(C)CCOCC1,0.03208604454994202
+OCC=C(CCC=C(C)C)C,0.014520448632538319
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.11122594028711319
+Oc1ccc(cc1)Cc1ccccc1O,0.10941145569086075
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.831667423248291
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.018656693398952484
+Nn1c2ccncc2c2c1cccc2,0.4925938546657562
+CC(=N)S,0.3105471730232239
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.0001617971865925938
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.8078451156616211
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7017124891281128
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.159827321767807
+C=CC(=O)NCNC(=O)C=C,0.38133159279823303
+OCC[C@H](CCC=C(C)C)C,0.06501943618059158
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.11796267330646515
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.0023463896941393614
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.02670435607433319
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.993634819984436
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.828075110912323
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.03871237486600876
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9214442372322083
+n1ccc(cc1)c1ccccn1,0.24402141571044922
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.05459117144346237
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.08601529151201248
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.981631875038147
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.942151665687561
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.8564662933349609
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.10946287959814072
+O=CCCCC=O,0.10306154191493988
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.9852541089057922
+CC1CS1,0.11346535384654999
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9888185262680054
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.015837443992495537
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.0002251122350571677
+OOC(c1ccccc1)(C)C,0.4831998348236084
+COP(=S)(SCC(=O)N(C=O)C)OC,0.647602915763855
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.11285600811243057
+CC1OC(C)OC(OC(O1)C)C,0.39456090331077576
+NCCS,0.47942274808883667
+CCCCCCCC1CCC(=O)O1,0.0259090568870306
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9848710894584656
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.42055559158325195
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.08081961423158646
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.20097926259040833
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6844242811203003
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.5015621185302734
+CC(OC(=O)CC(=O)OC(C)C)C,0.08866976201534271
+COc1cccc2c1C1(C)OOC1(O2)C,0.7659119367599487
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.00837539043277502
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0.21663960814476013
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.997754693031311
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9865856170654297
+COC=O,0.36180979013442993
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.43050843477249146
+ClC(=O)CCc1ccccc1,0.8720323443412781
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.01784943789243698
+ClCC=O,0.5109648108482361
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9887661933898926
+ClC(C(=O)O)Cl,0.4676748216152191
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9948686361312866
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.664242148399353
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.8068615198135376
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12077826261520386
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.11211074888706207
+ClCC(CCl)Cl,0.8028580546379089
+Clc1cc(Cl)c(c(c1)Cl)N,0.5516020059585571
+c1ccc2c(c1)cnnc2,0.636229932308197
+CN(/C=N/c1ccc(cc1C)Cl)C,0.02906106412410736
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.9838734865188599
+O=C1c2ccccc2-c2c1cccc2,0.5955082178115845
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.9884929656982422
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9923114776611328
+C([C@@H]1OC1)Cc1ccccc1,0.8561197519302368
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.769223690032959
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9606109857559204
+ClCc1ccccc1,0.28464508056640625
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9952837228775024
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9229612350463867
+O=c1c2ccccc2[nH]c2c1cccc2,0.734006941318512
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.21633167564868927
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9796153903007507
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9660452008247375
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.40270742774009705
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.034075383096933365
+Nc1nc2c(n1C)ccc1c2cccn1,0.9717297554016113
+OCc1ccccc1,0.12716829776763916
+ON1C(=O)CCC1=O,0.4433494210243225
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.9399282336235046
+[O-][N+](=O)/C=C/c1ccccc1,0.13265052437782288
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.9915200471878052
+Nc1ccc(cc1)O,0.6142251491546631
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.9023850560188293
+O=S1CCOC(=C1C(=O)N)C,0.5856166481971741
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0.11414743959903717
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.7709338665008545
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.007196291349828243
+ClCC[N+](CCCl)(C)[O-].Cl,0.8264524340629578
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.909312903881073
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.006657671183347702
+OCC(C)C,0.09291531890630722
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.7106368541717529
+Clc1ccc(c(c1)N)Cl,0.6380316019058228
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.004432314075529575
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.04435297101736069
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9341233372688293
+OCCNC(=O)C(O)C,0.5799452066421509
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9627341032028198
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.003951857797801495
+COc1cc(N=Nc2ccccc2)ccc1N,0.9881089329719543
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.2969411015510559
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.02365337312221527
+Clc1ccccc1,0.1533239781856537
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.7514777779579163
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.9939713478088379
+n1ccncc1,0.16691942512989044
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.03471233695745468
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.995782196521759
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.7956253886222839
+CC(CN(CC(C)C)CC(C)C)C,0.2041579782962799
+OCC(C(C(C(C=O)O)O)O)O,0.4313738942146301
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.6434724926948547
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.7339281439781189
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.003587920218706131
+OCCC(CCC=C(C)C)C,0.06501943618059158
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.8237096071243286
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.05190957710146904
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.7724422216415405
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.9871259927749634
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.9801846742630005
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.014533485285937786
+CCCCCCCCCCCCCl,0.11493970453739166
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.39541125297546387
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.3427222967147827
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9775944948196411
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.28638792037963867
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.9674386978149414
+Cl/C=C(\C(Cl)Cl)/Cl,0.9527371525764465
+NNc1scc(n1)c1ccc(cc1)N,0.9715356826782227
+c1ccc(cc1)CN1CCN=N1,0.8243959546089172
+BrCc1c2ccccc2cc2c1cccc2,0.9137088656425476
+O=C1CC(=NN1c1ccccc1)C,0.14832834899425507
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9964240193367004
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.018691305071115494
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9996880292892456
+O=CC(C)C,0.1434367448091507
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6334227323532104
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9712475538253784
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.007893797941505909
+O=C(C(Br)(C)C)NCc1ccccc1,0.08051200211048126
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.016851084306836128
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8819670677185059
+Cc1c(C)cccc1O,0.20116543769836426
+NC(C(=O)O)CSC(=O)NCCCl,0.8637603521347046
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.2576470673084259
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.06969569623470306
+CCCCN(CC(=O)CC)N=O,0.9004246592521667
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.029023194685578346
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.011556205339729786
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9151946306228638
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9708502888679504
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7213338613510132
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.67609703540802
+Cc1ccc(cc1)N=NN(C)C,0.8812677264213562
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.0012635367456823587
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.6358350515365601
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9901626706123352
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.694700300693512
+ClCN1C(=O)c2c(C1=O)cccc2,0.5583764910697937
+c1ccc(nc1)c1cccnc1,0.18998610973358154
+NC(=O)c1c(Cl)cccc1Cl,0.19816148281097412
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.8712055087089539
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9786534309387207
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8912251591682434
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8327614665031433
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.11309055984020233
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.0214709360152483
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9955496788024902
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.904646098613739
+Clc1ccc2c(c1)nsc2N,0.8073413968086243
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.002220424124971032
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.5466917157173157
+O=C1C(O)CC(N1C)c1cccnc1,0.02218194305896759
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.7304295301437378
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.8648366928100586
+CCCCN,0.1764204502105713
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.023928537964820862
+C/C=C\c1ccc(c(c1)OC)O,0.2056896686553955
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6180810332298279
+S=c1ssc(c1C)c1cnccn1,0.15141446888446808
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.49911460280418396
+O=NN(CC(=O)C)COC(=O)C,0.9834488034248352
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.13830454647541046
+CN(NC(=O)CCC(=O)O)C,0.08454688638448715
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.0068593258038163185
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.1295967847108841
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8518729209899902
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.9683402180671692
+O=c1ccc2c(o1)cc1c(c2)cco1,0.49871644377708435
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.7908033728599548
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.25754037499427795
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.3353669345378876
+OCCc1ccc(cc1)N(C)C,0.6108168959617615
+CN(CC(=O)O)C.Cl,0.03734542056918144
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8879551887512207
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8975351452827454
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.9852541089057922
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.15963399410247803
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.48643025755882263
+CC(OC(=O)C)C,0.4256104528903961
+CCOc1cccc2c1nccc2,0.5702595710754395
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9867148399353027
+CCOC(=O)[C@@H](O)C,0.24358591437339783
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.8606399297714233
+NNC(=O)CNC(=O)C=N#N,0.9292922019958496
+O=Cc1ccc(cc1)O,0.07412037998437881
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.029636507853865623
+Cc1c(N)cccc1Cl,0.6682997345924377
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9982330203056335
+COCC(=O)O,0.07276563346385956
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.02704952284693718
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9968169927597046
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.8101221919059753
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.7314513921737671
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.014958880841732025
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.9811775088310242
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.013818140141665936
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.7007330656051636
+N1C2C1c1cscc1-c1c2csc1,0.958232045173645
+CCCCN(CCCC(=O)O)N=O,0.9117320775985718
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9317765235900879
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.625677227973938
+OCCN(C(=O)OCC)N=O,0.9788569211959839
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.013670271262526512
+Nc1nc(NC2CC2)nc(n1)N,0.12986166775226593
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.563315749168396
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9776495099067688
+ClCC(CBr)(Br)C,0.1922380030155182
+Cc1ccccn1,0.11154066026210785
+CCCN(C(=O)N)N=O,0.9898742437362671
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.21649396419525146
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.016922354698181152
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.03184868022799492
+Fc1ccnc2c1cccc2,0.826137900352478
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.6958430409431458
+NC(=O)c1cnccn1,0.06983311474323273
+FC(Oc1ccc(cc1)N)(F)F,0.5862935781478882
+[O-][N+](=O)c1cccc(c1C)N,0.9352502822875977
+OCC(CO)(C)C,0.18213924765586853
+O=NN(CCCC(c1cccnc1)O)C,0.8621677160263062
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9735209345817566
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.8381406664848328
+O=C1C=CC(=[N+]=[N-])C=C1,0.5795354843139648
+Clc1cccnc1,0.012852935120463371
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.008389282040297985
+O=NN1C[C@H](C)C(=O)NC1=O,0.8978410959243774
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.0029946158174425364
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.03460782393813133
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.8578394055366516
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.7037660479545593
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.903974175453186
+[O-][N+](=O)c1ccccc1C(=O)N,0.6328659653663635
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.31069308519363403
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.009678224101662636
+COP(=S)(OC)Cl,0.3710232675075531
+ONc1cnc2c(c1C)nc1n2cccc1C,0.9476555585861206
+OCC#N,0.27499905228614807
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9945698976516724
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.3645963668823242
+NC(=S)c1c(Cl)cccc1Cl,0.13042005896568298
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.9335899353027344
+OC1OC(=O)C(=C1Cl)Cl,0.9722231030464172
+OCCN(C)C,0.29034703969955444
+O=Nc1ccc(cc1)N(C)C,0.9620340466499329
+OCc1cccc(c1)Oc1ccccc1,0.32453930377960205
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9983400106430054
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.0031609279103577137
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9735606908798218
+Nc1cccc(c1)N,0.881138801574707
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.6903303265571594
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9301466941833496
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.007685055024921894
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.9761861562728882
+Oc1cnc2c(c1)cccc2,0.5488623380661011
+CCCCCN,0.07873174548149109
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.7828724980354309
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.6798757910728455
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.9322559237480164
+O=CN(C)C,0.3269196152687073
+C=CCc1ccc(c(c1)OC)OC,0.28636425733566284
+O=NN(C(=N)N[N+](=O)[O-])C,0.9715954065322876
+COc1cccc(c1C(=O)N)OC,0.30290478467941284
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9861946105957031
+NN(Cc1ccccc1)Cc1ccccc1,0.46287980675697327
+Cc1ccc2c(c1)nn[nH]2,0.38310930132865906
+c1ccc2c(c1)cc1c(c2)cccc1,0.6549988985061646
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.866948127746582
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8199102282524109
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.5672109723091125
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8358262777328491
+OC(=O)c1cc(Cl)cc(c1)Cl,0.05643422156572342
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9415140151977539
+Nc1ccc(c(c1)Cl)C,0.4892636835575104
+COc1ccccc1O,0.3748280704021454
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9890154600143433
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.854432225227356
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.01582242362201214
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.951147198677063
+CCCCCCCCCc1ccc(cc1)O,0.03437907248735428
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.004258292727172375
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.979815661907196
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.029471198096871376
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.08057043701410294
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.317810595035553
+Oc1cccc2c1nccc2,0.6209102869033813
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.9099462628364563
+Nc1ncnc2c1ncn2C,0.7293347120285034
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.05004237964749336
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8654946088790894
+CC([N+](=O)[O-])(C)C,0.3599925637245178
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9623954892158508
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.3539735674858093
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.0038317616563290358
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.9392049908638
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9916399717330933
+Nc1cccc(c1)Cl,0.6056073307991028
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.8971396684646606
+Clc1ccc2c(c1)nc([nH]2)C,0.12666837871074677
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9840306043624878
+Oc1cc(Cl)c(cc1Cl)O,0.03076685033738613
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.8911034464836121
+Cc1cccs1,0.32623109221458435
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.13813845813274384
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.01947520300745964
+O=NN1CCN([C@H](C1)C)N=O,0.9890432357788086
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.7616584897041321
+OCc1ccc(cc1)Cl,0.08017923682928085
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7936986088752747
+CCCN=NC(OO)(C)C,0.73837810754776
+CCN,0.38733527064323425
+NC(=O)C=C,0.3644739091396332
+CC(Br)Br,0.36774587631225586
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9546812176704407
+CCP(=O)(OCC)OCC,0.20288415253162384
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.9703305959701538
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.0055099413730204105
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.983411431312561
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.022048862650990486
+CCC/C=C(/C=O)\CC,0.10573935508728027
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.9800130128860474
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.8965490460395813
+COc1ccc(cc1)OC,0.513815701007843
+ClCC(=O)CCl,0.4715461730957031
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.004220315255224705
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.9740548133850098
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9865856170654297
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.6990512609481812
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.522411584854126
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00020763033535331488
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.06317323446273804
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.23061756789684296
+CC(=O)CC(O)(C)C,0.05095254257321358
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.9990987777709961
+Oc1ccc2c(c1)cc[nH]2,0.47558069229125977
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9890245199203491
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.24643640220165253
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.993371307849884
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.011096721515059471
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.9460873603820801
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.9929486513137817
+CN(C#N)N=O,0.8670960664749146
+NCCCN(C)C,0.2810574173927307
+C[C@H]([C@H](O)C)O,0.14615800976753235
+O=C1CCC(N1C)c1cccnc1,0.018711665645241737
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.035414405167102814
+COc1ccc(c(c1)C(C)(C)C)O,0.030668511986732483
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9816072583198547
+C[C@H](CNC[C@H](O)C)O,0.20912806689739227
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.0018021410796791315
+C[N+](CC1OC1)(C)C,0.6077548861503601
+Cc1nccc2c1[nH]c1c2cccc1,0.64543616771698
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.07668761909008026
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.005055627319961786
+OC(=O)CN(CC(=O)O)CC(=O)O,0.03593996912240982
+[O-][N+](=O)OOC(=O)C,0.3334483504295349
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.5458194017410278
+IC(I)I,0.361482709646225
+CCCO,0.08057373017072678
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.9971391558647156
+Clc1ccc(cc1)Br,0.03479107469320297
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.981631875038147
+C=Cc1ccccc1Cl,0.17738613486289978
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.03495374321937561
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.04052682965993881
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.9414315223693848
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.46338415145874023
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.0926860049366951
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.9644224047660828
+BrC(C#N)Br,0.2411707192659378
+O=NN(c1ccccc1)c1ccccc1,0.7947763204574585
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.9837247133255005
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0.03719053789973259
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.01102506835013628
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9961928129196167
+C[C@@H](ON=O)CC,0.7796528339385986
+O=NN1CCC[C@@H]1c1cccnc1,0.9333389401435852
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.8174731135368347
+Nc1nc2c(n1C)ccc1c2cncc1,0.9259354472160339
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.2580958306789398
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9396532773971558
+ONc1cnc2c(c1)nc1n2cccc1,0.9583743810653687
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6067386865615845
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.00047641960554756224
+Nc1cc2ccccc2c2c1cccc2,0.9073190689086914
+Nc1nc(N)nc(n1)Cl,0.03601018339395523
+Fc1cccc2c1ccc1c2nccc1,0.7745782732963562
+c1ccc2c(n1)cnnc2,0.4868709444999695
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7659446597099304
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.017542842775583267
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9939935803413391
+OC(=O)c1cccc(c1)C(F)(F)F,0.031676292419433594
+CCOC[C@H]1CO1,0.8578230738639832
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.1381584107875824
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.5019334554672241
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.8543878793716431
+Clc1c(Cl)ccc(c1Cl)Cl,0.06861446052789688
+NNc1nncc2c1nccc2,0.8459440469741821
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.38381654024124146
+ClCC1=C(Cl)C(=O)OC1,0.986700713634491
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9928889274597168
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.9409751892089844
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.8133339881896973
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.953015923500061
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0004127503780182451
+O=CC(Cl)(Cl)Cl,0.554352879524231
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.17300336062908173
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.01324019767343998
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9236895442008972
+CCCCCN(CCCCO)N=O,0.8921364545822144
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.008351556956768036
+ClC(c1ccccc1)C(=O)Cl,0.9413169622421265
+N#C/C=C/C#N,0.1879071295261383
+O=Cc1ccccc1C,0.09619702398777008
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.019858021289110184
+OC(=O)C(Br)(Br)Br,0.1791769564151764
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.46489691734313965
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.00989801250398159
+ClCCN(CCCl)C,0.6478103399276733
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.02463519759476185
+CC(OS(=O)(=O)C)C,0.98210608959198
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.8420999646186829
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.12336798757314682
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.7206617593765259
+N#CCC[C@](C#N)(CBr)Br,0.5997509360313416
+ClC([N+](=O)[O-])(Cl)Cl,0.52019202709198
+C1CC[C@@]2(CO1)CO2,0.5277265310287476
+CCCc1cc(O)nc(n1)S,0.0019813308026641607
+Cc1ccncc1,0.09807159006595612
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.7463014721870422
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8821561932563782
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9321498870849609
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.9952691197395325
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.35440707206726074
+CC(=C)C(=O)O,0.11858246475458145
+O=C=NC1CCCCC1,0.03318963199853897
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9917917251586914
+Cc1ccco1,0.04012144356966019
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9673599004745483
+CSSC,0.3572729229927063
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6515432596206665
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.8948386907577515
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.0020908298902213573
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.6997786164283752
+C[C@H](COC[C@H](O)C)O,0.42678484320640564
+Nc1ccc(c(c1)C)C,0.483130544424057
+c1ccc2c(c1)nccn2,0.29436177015304565
+NC(=O)c1ccccc1O,0.2811473608016968
+Cc1cccc(c1N)C,0.42608651518821716
+Oc1ccc(cc1)[N+](=O)[O-],0.7229794263839722
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.057142652571201324
+OC1C=CC2C(C1O)O2,0.5595215559005737
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9548535346984863
+C/C=C/c1cc(OC)ccc1OC,0.691713273525238
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.008387715555727482
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8746433258056641
+C=C=O,0.36221855878829956
+CCCCCCNCCCCCC,0.0746409073472023
+ClCc1cccc(c1)CCl,0.3893676996231079
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.4784465730190277
+OCc1c(CO)cnc(c1O)C,0.02442881464958191
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.6136828064918518
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9960231781005859
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.64567631483078
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.04695717990398407
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.011199889704585075
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8618426322937012
+C=CCOC(=O)COCCC(C)C,0.028679316863417625
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7621886134147644
+Cc1c[nH]cn1,0.31721824407577515
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.21857568621635437
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.004047879483550787
+Cc1cc(C)c(c(c1)C)C,0.25317463278770447
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.9761897921562195
+Nc1c(C)cccc1N,0.547386884689331
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.4609735906124115
+OC(=O)COc1ccc(cc1C)Cl,0.03951428085565567
+C=COc1ccc(cc1)[N+](=O)[O-],0.8990187644958496
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.8563051223754883
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8517800569534302
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.003877547336742282
+CCCCN(CC(=O)C)N=O,0.9244322776794434
+ClC(=O)c1ccccc1,0.8697162866592407
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.8074793815612793
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.5802202224731445
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.006198943592607975
+Cc1cc(C)cc(c1)O,0.14777247607707977
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.4025149941444397
+Nc1ccc(cc1)CCc1ccccc1,0.7709760069847107
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.13560938835144043
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.9926198124885559
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.03208751603960991
+OCCN(C(C)(C)C)CCO,0.39595040678977966
+CC12OOC2(C)c2c(O1)cccc2,0.8362466096878052
+Nc1ccc2c(n1)c1ccccc1cc2,0.8846620321273804
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.9717143774032593
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.25919198989868164
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.7815515398979187
+O=NN1CCCCCCC1,0.9777246713638306
+O=C1C=CC(=O)C1(Cl)Cl,0.4452052712440491
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.0018811918562278152
+O=S1(=O)CCCCO1,0.9134093523025513
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.8855840563774109
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.9452498555183411
+ONc1ccc(cc1)C,0.8630670309066772
+ClC(=C(Cl)Cl)Cl,0.4920605719089508
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8415504693984985
+OC(=O)Cc1cccc2c1cccc2,0.4669571816921234
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.9245064854621887
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.03286813944578171
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.37717676162719727
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.5678312182426453
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.01712075248360634
+ONc1ccc(cc1)Cl,0.8518072366714478
+CC(=O)Nc1ccc(cc1)C,0.3642144799232483
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.9208663702011108
+C1CCSCS1,0.29533374309539795
+Cl/C=C(\SCc1ccccc1)/Cl,0.9294308423995972
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.9833731651306152
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9735223054885864
+Fc1c(N)cc(c(c1Cl)F)Cl,0.383274644613266
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9092798233032227
+CC(=O)c1ccc2c(c1)cccc2,0.41283488273620605
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.03309903293848038
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.28933921456336975
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.042477793991565704
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.5270323753356934
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.08635662496089935
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.3199502229690552
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.09629511833190918
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.0048660095781087875
+O=CCC(C)C,0.163863405585289
+O=C([C@]1(C)OC1)NCc1ccccc1,0.9046894907951355
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.48308220505714417
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.3559337854385376
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.12190238386392593
+CNC(=O)c1cccnc1S(=O)(=O)N,0.016379917040467262
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8953331708908081
+OC(=O)c1cccnc1,0.1216253787279129
+N#N=NCC1OC(O)C(C(C1O)O)O,0.9622794985771179
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.9737753868103027
+CP1(C)NP(C)(C)NP(N1)(C)C,0.3602883517742157
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.20692653954029083
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9943948984146118
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.2441689521074295
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6995665431022644
+CCCCCC(=O)OCC,0.03019673191010952
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9766430854797363
+COC(C)(C)C,0.7257984280586243
+O=C1NS(=O)(=O)Cc2c1cccc2,0.10050015151500702
+OC(=O)C1OC1C(=O)O,0.09532679617404938
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.11222770065069199
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.20563118159770966
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.7251318693161011
+OCCCCCCCCCCCCCCCCCC(=O)O,0.027946626767516136
+[O-][N+](=O)c1ccc(o1)CNCCO,0.888363242149353
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.012563414871692657
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.11349759995937347
+FC(C(Cl)(Cl)F)(Cl)Cl,0.3585468530654907
+ONc1cccc(c1)c1ccccc1,0.9615071415901184
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.9292410016059875
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9228392839431763
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9655214548110962
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.1836787611246109
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.00175571721047163
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8492794036865234
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9787376523017883
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.12822577357292175
+BrCC(=C)Br,0.7915935516357422
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.08368454873561859
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.9907341003417969
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.17989443242549896
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.18510983884334564
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8221394419670105
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,0.055872637778520584
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.3310314118862152
+Nc1cccc2c1c(O)nnc2O,0.2331642210483551
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.15576566755771637
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.8357632756233215
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.06048237532377243
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9468196630477905
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.24447038769721985
+FC(C(C(F)(F)F)F)F,0.028278077021241188
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9190114140510559
+O=Cc1ccc(cc1)C,0.05283070355653763
+Nc1cccc2c1snc2,0.9132196307182312
+Oc1ccnc(n1)O,0.10601458698511124
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.015981948003172874
+c1ccc2-c3c(Cc2c1)cccc3,0.6824477314949036
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.14800383150577545
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8338226079940796
+Clc1ccc(cc1)[S@](=O)C,0.020890653133392334
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.5587841272354126
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9467610120773315
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.038276128470897675
+OC[C@H](O)C,0.1917872428894043
+OCC(C(C(C1SCCN1N=O)O)O)O,0.7550992965698242
+Nc1[nH]cnc2-c1ncn2,0.5166038870811462
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.8178195953369141
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.1235831007361412
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.030193623155355453
+c1scc(n1)c1nc2c([nH]1)cccc2,0.8752819895744324
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.92530757188797
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.5728096961975098
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.43085646629333496
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.6121584177017212
+OCCN(C(=O)Nc1ccccc1)C,0.06338364630937576
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.00491951871663332
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.026717472821474075
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0.08635662496089935
+COC(=O)N,0.7171455025672913
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.030030403286218643
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.9279281497001648
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.3058810234069824
+N#CCCNCCC#N,0.14115199446678162
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7134146690368652
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.10432889312505722
+OC(=O)CC(=O)O,0.1626175343990326
+Clc1ccncc1,0.1581040322780609
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.08298520743846893
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.2711106240749359
+CCCN(C(=O)SCc1ccccc1)CCC,0.06260088086128235
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.020788278430700302
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.3865211009979248
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.0055642323568463326
+ON=C1CCCCC1,0.5151300430297852
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.42737045884132385
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.9811800122261047
+NC(C(=O)O)Cc1ncn[nH]1,0.046647172421216965
+OCc1nc(N)nc(c1)C1CC1,0.0074902670457959175
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.04537097364664078
+CCCCCCC(=O)OCC,0.03019673191010952
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.44922518730163574
+OCCCc1ccccc1,0.231124609708786
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.018417930230498314
+CCOS(=O)(=O)c1ccccc1,0.8228709101676941
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9717629551887512
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.13339418172836304
+ClCc1ccccc1[N+](=O)[O-],0.4387539029121399
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.0011371595319360495
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.871062159538269
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.02993539348244667
+CCCCB(CCCC)CCCC,0.13476023077964783
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.9701068997383118
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.4478510320186615
+Cc1ccc2c(-c3ccccc3C2C)c1,0.8421209454536438
+ICCc1ccccc1,0.5429306626319885
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.005883636884391308
+OCCC(C)C,0.13066765666007996
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,2.6350699044996873e-05
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.9034846425056458
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0.01734430156648159
+Cn1sc(cc1=O)Cl,0.8344742655754089
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.0008653668919578195
+S=C=S,0.3556916117668152
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.9393428564071655
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.8661209344863892
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0.10882242023944855
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.007266214583069086
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.09073131531476974
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.9150553941726685
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8452974557876587
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.970990002155304
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9980899095535278
+CCCC=O,0.29957491159439087
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.871062159538269
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.9247468113899231
+COc1cc(N)c(cc1N)OC,0.9208277463912964
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9566166996955872
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.9810349345207214
+O=C/C=C/c1ccccc1,0.45950332283973694
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.37510553002357483
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.4286622107028961
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.052360840141773224
+CCCC/C=C/C=O,0.7380193471908569
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.4843659996986389
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9563287496566772
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.9705878496170044
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9870025515556335
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8708845376968384
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.35719186067581177
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.9911627769470215
+O=NN(Cc1cccc(c1)OC)C,0.8869003057479858
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9709304571151733
+OC(=O)CN=N#N,0.8204917907714844
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.990546703338623
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.04511532187461853
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.998071551322937
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.9553295969963074
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.956017792224884
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9878325462341309
+COc1ccc(cc1)N,0.8262360692024231
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.05028421804308891
+N[C@@H]1CC[C@H](CC1)N,0.1174386516213417
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.31471750140190125
+[N-]=[N+]=NCc1ccccc1,0.9270251989364624
+O=C([C@@H]1OC1)Nc1ccccc1,0.9361981153488159
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.3079201579093933
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.11236865818500519
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.40791767835617065
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.057015229016542435
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.758053719997406
+COP(=O)(SC)SC,0.06555940210819244
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.9772817492485046
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.3202275037765503
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.1828955113887787
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0005817426135763526
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.9972280263900757
+C(Sc1ccccc1)CSc1ccccc1,0.31838473677635193
+O=C1CCCCC1,0.2029619961977005
+O=NN(Cc1cccc(c1)C#N)C,0.6841486692428589
+OC(=O)CNCP(=O)(O)O,0.01669006235897541
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.04080677777528763
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8517800569534302
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9984616041183472
+COc1c2oc(=O)ccc2cc2c1occ2,0.5790559649467468
+O=C/C=C/C=C/C=O,0.7365027070045471
+ON(c1ccccc1)C(=O)C,0.8162901997566223
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.8637746572494507
+Cc1cc(=O)[nH]o1,0.11369355767965317
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9912551641464233
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.9233299493789673
+CCCOC(=O)c1ccc(cc1)O,0.0043930066749453545
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.936414897441864
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.9795501828193665
+BrCC1=C(Br)C(=O)OC1,0.9491685628890991
+ClC(C(=O)C)Cl,0.6809437870979309
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.016799578443169594
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.930072009563446
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.47986167669296265
+ICCc1ccc(cc1)OCc1ccccc1,0.22917857766151428
+C=CN1CCCC1=O,0.2852841019630432
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9899994134902954
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.34886059165000916
+NC(=O)OC1CO1,0.7854008674621582
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.6750012040138245
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.0617450475692749
+COP(=O)(NC(=O)C)SC,0.03642202168703079
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.6932368278503418
+OCCc1ccc(cc1)[N+](=O)[O-],0.8538486361503601
+FC(=C(F)F)Cl,0.37950974702835083
+C=CC(=O)OC(C)(C)C,0.15762224793434143
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.2656303346157074
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8461664915084839
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9884254336357117
+NNc1ccc(cc1)C(=O)O,0.781882643699646
+Fc1ccc2c(c1)cccn2,0.7118207812309265
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.013619022443890572
+CN(C(=S)N(C)C)C,0.1659698188304901
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.8911792635917664
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9814389944076538
+C=CCc1ccccc1OCC(CNC(C)C)O,0.00966059323400259
+OC(=O)/C=C/c1ccc(cc1)Cl,0.0476532056927681
+Cl[C@@H](C=C)CCl,0.6652551293373108
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0005397152854129672
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.8784445524215698
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.0012341366382315755
+CC(=O)Nc1ccc(cc1)N,0.8294175863265991
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.004586069379001856
+[O-][N+](=O)c1cccc(c1N)C,0.8061724901199341
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.024576861411333084
+OCCO,0.16602608561515808
+O=C/C=C(\CCC=C(C)C)/C,0.06454270333051682
+[O-][N+](=O)c1cccc(c1N)N,0.9513823390007019
+CC(=O)NN,0.3208783268928528
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.9093491435050964
+O=NN1CC[C@H](C1)O,0.9928350448608398
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8406291007995605
+OCP(CO)(CO)CO,0.06227176636457443
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.998369038105011
+COc1c2cccc(c2nc2c1cco2)O,0.7270551919937134
+CNN=NC,0.927446722984314
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.004883727058768272
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.8937515020370483
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0030968906357884407
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.21797160804271698
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9838970303535461
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8819104433059692
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.09263817965984344
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9940807223320007
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.007962139323353767
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.004646646790206432
+COC(=O)CCCCC(=O)OC,0.3228514492511749
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9917329549789429
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.1979326754808426
+ClCC(Cl)(Cl)Cl,0.6191078424453735
+OC1CC2C(C1(C)CC2)(C)C,0.3061442971229553
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.998231053352356
+OCCCNC(=O)C(C(CO)(C)C)O,0.044307269155979156
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6349281072616577
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7457965612411499
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.9008573293685913
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.010500915348529816
+CCCCCCCCBr,0.4582042098045349
+Nc1ccc(cc1)N,0.7288713455200195
+Cn1c(N)nc2c1cc1ccccc1n2,0.519637405872345
+O=Nc1ccc(cc1)C(=O)C,0.8754131197929382
+ONC(=O)c1ccc2c(c1)cccc2,0.9491733312606812
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.19251790642738342
+Sc1ncnc2c1[nH]cn2.O,0.8717191815376282
+CC(C(=O)N(Cc1ccccc1)C)Br,0.47082552313804626
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8124472498893738
+ClCCCBr,0.813101589679718
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5343611836433411
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4536886215209961
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.8472439050674438
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.08221007883548737
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.6168987154960632
+CCOCCOCCOCC,0.23457655310630798
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06649831682443619
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.6785019636154175
+ON(c1ccc(cc1)Cl)C(=O)C,0.7481027245521545
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9747542142868042
+CCOc1nc(ns1)C(=O)O,0.04180712625384331
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.08633328974246979
+BrCC(=O)c1cccc(c1)OC,0.1902654469013214
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.9828125834465027
+CCBr,0.693318247795105
+O=CC1=CCC(CC1)C(=C)C,0.039872944355010986
+BrC(C(Br)(Br)Br)Br,0.4873538017272949
+Nc1ccc(c(c1)C(=O)O)O,0.7790700793266296
+CC(NC(=O)Nc1ccccc1)C,0.04749753326177597
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.39843621850013733
+O=C(Cc1ccccc1)OCc1ccccc1,0.16306626796722412
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.17922846972942352
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.07861131429672241
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9841060638427734
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.02581017278134823
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.018331844359636307
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.8774864077568054
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.9804282188415527
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.17091502249240875
+NC(=S(=O)=O)N,0.3557432293891907
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.9602570533752441
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9923256635665894
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.8634014129638672
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.9842130541801453
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.18795475363731384
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.9834990501403809
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9755486249923706
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.09347444027662277
+OC(=O)c1ccc(c(c1)Cl)Cl,0.05561629682779312
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.7990729212760925
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.030275488272309303
+Nc1ccc(cc1)/C=C/c1ccccc1,0.88044273853302
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.24447038769721985
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.9122435450553894
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9975727200508118
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.30142802000045776
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.7708685398101807
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0041140904650092125
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.786040186882019
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.957475483417511
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.95879065990448
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.06835927069187164
+CN(N=O)CC,0.9770962595939636
+COc1ccc2c(c1)nc([nH]2)N,0.7154517769813538
+CC1(CO1)C=C,0.30122628808021545
+NCCNCCO,0.39282551407814026
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.9960166215896606
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9822975397109985
+NC(C(=O)O)COC(=O)C=N#N,0.7913652062416077
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.27695316076278687
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7591074705123901
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.011878357268869877
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9494726061820984
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.949310302734375
+ClC(c1ccccc1)Cl,0.2912594676017761
+Clc1ccc(cc1)CC1OC1,0.9428421854972839
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.2770344316959381
+OC1c2ccccc2Oc2c1cccc2,0.591575562953949
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.7827180027961731
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9379294514656067
+C[C@H]1CC(=O)O1,0.138207346200943
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9693605303764343
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.3225746750831604
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.3603692352771759
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.1204587072134018
+Clc1cnc2c(c1C)cccc2,0.09001187980175018
+CC(=O)Nc1ccc2c(c1)nccc2,0.7193863987922668
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9218368530273438
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.01380385272204876
+OC(=O)c1occc(=O)c1O,0.19359655678272247
+Cc1ccc(c2c1ccc1c2cccc1)C,0.7873091697692871
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.014685858972370625
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.0013150980230420828
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4565245509147644
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.17666509747505188
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.00779264559969306
+CC(Cl)Cl,0.30570095777511597
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9875006675720215
+O=NN(C(=O)N)CCC(=O)O,0.8480636477470398
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9025453329086304
+ClCCOP(=O)(OCCCl)OCCCl,0.8159807920455933
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8216026425361633
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7460291981697083
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.010335664264857769
+NCCc1c[nH]cn1,0.416917622089386
+Oc1ncnc(n1)O,0.1505684107542038
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.952649712562561
+C=CC(=O)OCCOC(=O)C=C,0.08613039553165436
+CCOC(=O)NNc1nncc2c1cccc2,0.953312873840332
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9499271512031555
+CC(=O)CCl,0.39798495173454285
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.004002446308732033
+C=CC(=O)c1ccc2c(c1)OCO2,0.249775692820549
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.22942152619361877
+O=NN1CCOC(C1)O,0.9729620218276978
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9351938962936401
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9482572674751282
+COc1ccc(cc1)CC=C,0.3093978762626648
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.016196254640817642
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.02576347626745701
+Cn1cccc1,0.12269102036952972
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.989261269569397
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.013818402774631977
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9928272366523743
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9576379656791687
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.7885204553604126
+CN(N)C,0.4044293463230133
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9916145205497742
+Cc1ncc(nc1)C,0.22723588347434998
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.03239822015166283
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.8517800569534302
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.02954033575952053
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.03366111218929291
+Nc1cccc2c1c1ccccc1cc2,0.8882337808609009
+ClC1OC1CBr,0.9673885107040405
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.008084556087851524
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.00035768025554716587
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.7784406542778015
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.0743429884314537
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9934722185134888
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9736883044242859
+O=CC1=CC[C@H](CC1)C(=C)C,0.039872944355010986
+COP(=S)(SCC(=O)NCC=O)OC,0.6258448958396912
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.001861738390289247
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.011151635088026524
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.11365655809640884
+Cc1ccc(cc1)Cl,0.14153040945529938
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.11019935458898544
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7208366394042969
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.9555772542953491
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.17323367297649384
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.04412149637937546
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.7844403982162476
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.9082340002059937
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.7156425714492798
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.8714000582695007
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.014896760694682598
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.9550678133964539
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8724281191825867
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.9980934262275696
+Nc1nc(N)nc(n1)N,0.1382783055305481
+n1ccc(cc1)c1ccncc1,0.2678462862968445
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.34098076820373535
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.793907105922699
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.9804915189743042
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.12325428426265717
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.6910327672958374
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.2232234925031662
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.09593673050403595
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.9319415092468262
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.9906770586967468
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.45499759912490845
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8249958157539368
+CCOC(=O)N(N=O)CC,0.968358039855957
+C[C@H](CN(C[C@H](O)C)N=O)O,0.9754855036735535
+COP(=O)(OC)C,0.26986461877822876
+CN[C@H](Cc1ccccc1)C,0.2219277173280716
+[O-][N+](=O)c1cccc(c1O)N,0.7947720289230347
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.056568991392850876
+OC(=O)c1cccc(c1N)O,0.08583780378103256
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.0352613739669323
+Nc1ccc(cc1)Nc1ccccc1,0.4939427375793457
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.861711323261261
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.6176681518554688
+CNc1ccc(cc1)O,0.42842912673950195
+C=CCc1cc(OC)c2c(c1)OCO2,0.1680690348148346
+Cc1cc(N)c(cc1C)C,0.5481364130973816
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.024705776944756508
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.04859932139515877
+O=C1CCCCCCCCCCCCCCO1,0.06226969510316849
+COC=C,0.8367088437080383
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.007853219285607338
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.01930997334420681
+ClCc1cccc(c1)[N+](=O)[O-],0.6910287141799927
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.5182307958602905
+Clc1cccc(c1)Cl,0.10621688514947891
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.4922429621219635
+Cc1ccccc1OC[C@H]1CO1,0.9119407534599304
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.1452294886112213
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.19843551516532898
+Clc1ccc2c(c1)cccc2,0.5146808624267578
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9217332005500793
+ClC(C(=O)C(Cl)Cl)Cl,0.6754990816116333
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.9705637693405151
+OC1=CC(=O)C1=O,0.055000681430101395
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.3326004147529602
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.406705379486084
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9014085531234741
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.3211364448070526
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.96446692943573
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.7506933808326721
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.45788708329200745
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.3329332768917084
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.9047263264656067
+Cc1n[nH]c(=O)[nH]c1=O,0.48681187629699707
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.2518158555030823
+CCCCCCCCOC(=O)C(=C)C,0.006549215409904718
+OC(=O)CCN[N+](C)(C)C,0.10680028051137924
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.01337500847876072
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.8704161643981934
+Clc1ccc(cc1N)C(F)(F)F,0.08877552300691605
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.38686805963516235
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.11543221771717072
+Nc1ccc2c(c1)oc(=O)cc2C,0.45102518796920776
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.9687362909317017
+CC(=C)c1ccccc1,0.8113288879394531
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9822955131530762
+Cc1ccc(cc1)[N+]#N,0.8795732259750366
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.0435340479016304
+Oc1cccc(c1)Nc1ccccc1,0.18944068253040314
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.4561336934566498
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.014554883353412151
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.940482497215271
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.11380349099636078
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9959758520126343
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9660202264785767
+Cc1cccc2c1-c1ccccc1C2C,0.933404266834259
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.003575751092284918
+ONc1cc(C)cc(c1)C,0.7670680284500122
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.9379984140396118
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.0037221149541437626
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.37661728262901306
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.9672422409057617
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.6781181693077087
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9790779948234558
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.7496417760848999
+O=Cc1ccc(cc1)[N+](=O)[O-],0.48520106077194214
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.3472985029220581
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.9634604454040527
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.917942225933075
+Oc1ccc2c(n1)cccc2,0.4869377017021179
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9789240956306458
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.5098280310630798
+NCCO,0.4318307042121887
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.48170551657676697
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.07280072569847107
+Fc1cccc2c1cccn2,0.8082879781723022
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.006812061183154583
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.4561275541782379
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.6393935084342957
+COc1ccc(cc1C(C)(C)C)O,0.017137611284852028
+CCCCCCCCC,0.06885315477848053
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.999087929725647
+Clc1c(O)cccc1Cl,0.034542977809906006
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.12337007373571396
+[O-][Cl](=O)(=O)=O,0.3566280007362366
+CCOC(=O)C(Br)C,0.84999018907547
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.9363154172897339
+Cc1cc(C)c(c(c1)C)N,0.46776285767555237
+BrCCCCCCCC(=O)O,0.32767555117607117
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.015259237959980965
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.8714120984077454
+CC1=CC(O)C2CC1C2(C)C,0.05102725699543953
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7867844700813293
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.27980002760887146
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.9215730428695679
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.9292523264884949
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7978646159172058
+OC(=O)O.[K+].[K+],0.040553342550992966
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9967115521430969
+Cc1ccc2c(c1)nc(n2C)N,0.8796665072441101
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.999504566192627
+CCC[C@H]([C@H](CO)CC)O,0.01254414301365614
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.049936193972826004
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.2808074653148651
+CN(C1CCCCC1)C,0.07691662013530731
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9873434901237488
+COc1c(N)cc(c(c1C)N)C,0.35519731044769287
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9893868565559387
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9989970326423645
+Cl/C=C/CSCC(C(=O)O)N,0.6439768075942993
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.06631847470998764
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8395498394966125
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.19596539437770844
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.006595285143703222
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7539747357368469
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.764671266078949
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.9840564727783203
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.04437629133462906
+CCS,0.3531818389892578
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.19949384033679962
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.34098076820373535
+CCC(CO)(CO)CO,0.4641335904598236
+CCCCCCC=O,0.11791367828845978
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.043720752000808716
+CN([N+](=O)[O-])C,0.7851778268814087
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.9485574960708618
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.14594173431396484
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9944872856140137
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9717982411384583
+COC(=O)CCCC(=O)OC,0.26486271619796753
+O=Cc1ccc(cc1)Cl,0.04840483143925667
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7134818434715271
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.9978263974189758
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.075118288397789
+OCCN(CC)CC,0.28113672137260437
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.8004592657089233
+COC(=O)C(=C)C,0.2498314380645752
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.022386381402611732
+CC1(CO1)C(=O)N,0.8307177424430847
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7055113911628723
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.005739117972552776
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.04437629133462906
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.09611821174621582
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8976116180419922
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.000755983404815197
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.010557882487773895
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9911354780197144
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.32596826553344727
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.20805999636650085
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.8099185824394226
+CC(S)C,0.24564261734485626
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.5569573640823364
+C[n+]1c2ccccc2nc2c1cccc2,0.8863816261291504
+CCOC(=O)[C@@H](C(=O)C)Cl,0.024735670536756516
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9868029356002808
+COC(=O)C(Cl)Cl,0.6418824791908264
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.30331990122795105
+CCCC(=O)C,0.023582015186548233
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.0045976294204592705
+CC(=C)C(=O)OC(C)(C)C,0.19287297129631042
+[O-][N+](=O)C(C(O)C)C,0.1357792615890503
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.17465642094612122
+c1ccc(cc1)N/N=N/c1ccccc1,0.5586919784545898
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.04947502538561821
+Cc1cc(ccc1N)c1ccccc1C,0.9464797973632812
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.0531386137008667
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.03924434259533882
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9764084815979004
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9820448756217957
+OC(=O)c1ccc(cc1)N,0.4112822413444519
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.9821268916130066
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.01060301624238491
+COC(=O)C(Cl)C,0.25241321325302124
+C[Si](O[Si](C)(C)C)(C)C,0.12908542156219482
+CCCCBr,0.6392654180526733
+OOC(N=NC)(C)C,0.873734176158905
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.8928878903388977
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9037002325057983
+OCCOc1ccccc1,0.047449737787246704
+O=c1[nH]ncc2c1cccc2,0.17399930953979492
+CC(=O)Nc1cccc2c1cccn2,0.6070418953895569
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.008421558886766434
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.9829200506210327
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.9104922413825989
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.05714620277285576
+COc1cc(ccc1O)C(=O)C,0.2632092535495758
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.008606873452663422
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.816057562828064
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.003033023327589035
+[O-][N+](=O)c1ccc(c(c1)O)N,0.9391168355941772
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9972421526908875
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.007927271537482738
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.013100018724799156
+c1ccc(cc1)c1ccccc1OCC1CO1,0.9584199786186218
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.00032910294248722494
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.00966059323400259
+COCOC,0.2626461088657379
+Oc1cc(=O)[nH]c(n1)N,0.03132617101073265
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9962523579597473
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7196029424667358
+c1ccc(cc1)NN=Nc1ccccc1,0.5586919784545898
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.00016258753021247685
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.00443781865760684
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.936414897441864
+CCOO,0.7126685380935669
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.5785219669342041
+CCOC(=O)N,0.49503183364868164
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.8139021992683411
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.7521672248840332
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.907856822013855
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.634730339050293
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.5116546154022217
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9987329244613647
+CCc1nn(c(c1Cl)C(=O)N)C,0.032639846205711365
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.0019378270953893661
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0.18399754166603088
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.12234576046466827
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.9948862195014954
+CC(=O)OCCOCCOCCOC(=O)C,0.36726003885269165
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.11194596439599991
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.3481442332267761
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.2580563426017761
+Oc1ccc(c2c1cccc2)O,0.41508522629737854
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.013818402774631977
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9986907839775085
+CCCCCCCCCCCCCCCCN,0.06061596795916557
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.012565359473228455
+Cc1ccccc1N,0.7344323396682739
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.8998380899429321
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.8038762807846069
+CCCCCCCCO,0.0475204773247242
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.00875015091150999
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.6344331502914429
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.3603692352771759
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.457676500082016
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.004841646645218134
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9329456090927124
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.8778222799301147
+OCc1ccc(cc1)Br,0.026304012164473534
+O=c1nc[nH]c(=O)[nH]1,0.11713429540395737
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.4865022599697113
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.003887499449774623
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9972237348556519
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8728570938110352
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.8143221139907837
+BrC(=C)C=O,0.8454834818840027
+Clc1nncc2c1cncc2,0.04748968034982681
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.01233102660626173
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8398669362068176
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.05951559543609619
+O=NN1CCC(=O)CC1,0.9808399081230164
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.9490208625793457
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9940128326416016
+N#Cc1ccc(cc1)C,0.12995819747447968
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.8307794332504272
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.0248542632907629
+O=NN(c1ncn(c1C(=O)NC)C)C,0.8514779210090637
+CC(Nc1snc2c1cccc2)C,0.05452699214220047
+C=CCCC1CO1,0.7363439798355103
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.7884991765022278
+Nc1nc2c([nH]1)cccc2,0.5193034410476685
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.07302077114582062
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.05655127018690109
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.003484980436041951
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.1346207559108734
+CCCN(CCCC(=O)O)N=O,0.8961593508720398
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.05544936656951904
+OC(=O)O.[Ca+2],0.06315942108631134
+OCCCBr,0.6422605514526367
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9816259145736694
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.9374160766601562
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.890725314617157
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.730588972568512
+ClC(C#N)Cl,0.22281420230865479
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.0007912226137705147
+OC(=O)CCC(=O)O.[Na+].[Na+],0.09345750510692596
+CCSCCOP(=S)(OC)OC,0.33110684156417847
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.004034166224300861
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.19692397117614746
+OC(=O)CCC(=O)O.[Na+],0.09345750510692596
+ClCCCl,0.608328640460968
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.9165353775024414
+OC(c1ccccc1)CN=N#N,0.8729589581489563
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.493560791015625
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.879835307598114
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9924758076667786
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.009572295472025871
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9980871081352234
+O[C@@H]1OC(=O)C(=C1C)Cl,0.9722493886947632
+CC/C=C/CC/C=C/C=O,0.8364497423171997
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.0004679525154642761
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9096989631652832
+CC/C=C/C,0.30098485946655273
+CSc1cc(SC)c(c(c1N)C)N,0.7368934750556946
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.9569689035415649
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.2693418264389038
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.0006825110176578164
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.0037438098806887865
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.6716568470001221
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.15918754041194916
+CNc1nc(C)c(c(n1)O)C,0.05130857974290848
+N1C(=O)C(=N#N)C=NC1=O,0.849332332611084
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.08883638679981232
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.016423050314188004
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.042548768222332
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.011648227460682392
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.02906191721558571
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.019884731620550156
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.020730692893266678
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.12431661039590836
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.4439934194087982
+Nc1cnc2c(c1C)nc1n2cccc1C,0.9876447916030884
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.8185884356498718
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.886317253112793
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.99174964427948
+Fc1cc2cccnc2c2c1nccc2,0.9754306077957153
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.18938010931015015
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8123156428337097
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8270034790039062
+O=CN(c1ccc(cc1)c1ccccc1)O,0.6838091015815735
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9652572870254517
+Cc1c(N)c(C)c(c(c1C)N)C,0.4162414073944092
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.06458357721567154
+C/C=C/c1cccc(c1OC)OC,0.2187660187482834
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.6643742322921753
+OC1OC(=O)C(=C1C)Cl,0.9722493886947632
+NCCNCCNCCN,0.5965990424156189
+BrCCOC(=O)C=C,0.802341103553772
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.8537209630012512
+OC(=O)C(CC(=O)O)CC(=O)O,0.13913491368293762
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.1497860997915268
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.0022536858450621367
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.013051630929112434
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9707778692245483
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.5635556578636169
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9907717704772949
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.8064200282096863
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.047416266053915024
+c1ccc2c(c1)nc1c(c2)cccc1,0.7679374814033508
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5150942802429199
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.05002430081367493
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.0029447327833622694
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.17118962109088898
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9479475021362305
+Cc1ccc(cc1C)S(=O)(=O)O,0.09598827362060547
+CC(C(=O)Nc1ccccc1)C,0.2210046947002411
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9916704297065735
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.7717636227607727
+CC(Br)(C)C,0.0633130818605423
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9938178062438965
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.3436310291290283
+N[C@@H]1CCC[C@H](C1)N,0.038835685700178146
+N#CC(=Cc1ccccc1Cl)C#N,0.20246481895446777
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.9968944787979126
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.03563806042075157
+CCCCC(=C)C=O,0.5598760843276978
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.10671291500329971
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.016204655170440674
+BrCc1ccc(cc1)Br,0.09015785157680511
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9931973218917847
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.7867517471313477
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.9727510213851929
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.03177466243505478
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.09955325722694397
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.16523514688014984
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.9139044880867004
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.008146584033966064
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.9955161213874817
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9918050765991211
+c1ccc(cc1)c1ccccc1c1ccccc1,0.73070228099823
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.003667696611955762
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.012427653186023235
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9966900944709778
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.94767826795578
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9956849813461304
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.9151203036308289
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9955394864082336
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7452965974807739
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.04590224847197533
+Clc1cccc(c1)C(=O)O,0.061808157712221146
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9668049812316895
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.11763497442007065
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.3091523349285126
+O=NN(Cc1cccc(c1)Br)C,0.2921024262905121
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.6703358888626099
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.3963869512081146
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.18653638660907745
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9872589111328125
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.8758752942085266
+ClNc1nc(NCl)nc(n1)NCl,0.3158648610115051
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5590120553970337
+OC(=O)/C=C/C=C/C(=O)O,0.11975811421871185
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9638689160346985
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.16713520884513855
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.011162697337567806
+NNc1ccccc1,0.6695149540901184
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.05391144007444382
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.04211737588047981
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.0017451379681006074
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.45109254121780396
+FC(Cl)(Cl)Cl,0.3633826673030853
+C=COCC(F)(F)F,0.10550938546657562
+NCCc1c[nH]c2c1cc(O)cc2,0.18543574213981628
+OCCc1cn(c2c1cccc2)N=O,0.9642133712768555
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.8965511322021484
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8626173138618469
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.6162916421890259
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5785996317863464
+COC(CCOC(=O)C)C,0.29862409830093384
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.9552749395370483
+Cc1cccc(c1)C(=O)Cl,0.8419206738471985
+O=C/C=C/C=O,0.673859715461731
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.10233177989721298
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9555621147155762
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.005204867105931044
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.0117320716381073
+CCN(C(=O)c1cccc(c1)C)CC,0.015572051517665386
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.8021030426025391
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9109166264533997
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.8480887413024902
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.8166271448135376
+Fc1ccc(c2c1nccc2)F,0.9758695363998413
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.9417790174484253
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.9329918622970581
+COCCO,0.2965015470981598
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.9547590017318726
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.016732212156057358
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.1455053836107254
+Cc1cc2ccccc2c(c1)C,0.71591717004776
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9739305377006531
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.30530622601509094
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.0008588101482018828
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.8759153485298157
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.039196670055389404
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,0.02148778736591339
+CN(CCN(C)C)C,0.2027086764574051
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.6156824231147766
+OC1C(O)C=Cc2c1cccn2,0.12540434300899506
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9884560704231262
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9571701884269714
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9464902877807617
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.06842003017663956
+COc1ccc2c(c1)oc(=O)cc2CBr,0.36032065749168396
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9909736514091492
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9427685737609863
+ClC(=C)C=O,0.8700992465019226
+C[C@H](C(=O)Nc1ccccc1)Br,0.8279298543930054
+c1cc(OCC2CO2)c2c(c1)cns2,0.9862204790115356
+Cc1ccc2c(c1)nc([nH]2)N,0.31140464544296265
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.026722609996795654
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.3283688426017761
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.8844183683395386
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.00953421089798212
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.015114560723304749
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.43184271454811096
+C/C=C\C=C/C(=O)O,0.14978401362895966
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9876354336738586
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.8828399777412415
+N[C@@H]1C[C@H]1c1ccccc1,0.13134123384952545
+Cc1c[nH]c(=S)[nH]c1=O,0.10930430889129639
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.44888371229171753
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8711658716201782
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.9532473683357239
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.0012988147791475058
+OS(=O)(=O)ONNCCc1ccccc1,0.43689799308776855
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.8726661801338196
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.3095821440219879
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.8921604156494141
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9965421557426453
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9691898226737976
+C[N+]1(C)CCCCC1.[Cl-],0.04103150591254234
+Cc1nsc(c1)N.Cl,0.9344334602355957
+COc1cccc2c1nc1occc1c2OC,0.7746455073356628
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.06741756945848465
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.03942766413092613
+Oc1ccc2c(c1)nc(n2C)N,0.9358504414558411
+Oc1ccc(c(c1)O)O,0.3943091034889221
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.8183664083480835
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6064833402633667
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.019170181825757027
+CCCC[C@H](CO)CC,0.04077739268541336
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.0839022770524025
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.3502058982849121
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.12176257371902466
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.012223483994603157
+OC(=O)COc1ccc(cc1)Cl,0.05728691816329956
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.04941913112998009
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.9811273813247681
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.795544445514679
+O=C1OCC1(C)C,0.45074328780174255
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.07548139244318008
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.02123134210705757
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8476923704147339
+BrCCCCCBr,0.7789154052734375
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.8601312637329102
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9884560704231262
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8096266984939575
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.8804599046707153
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9950450658798218
+O=C1CCCN1C,0.11980767548084259
+ONC(=O)CNC(=O)c1ccccc1,0.6987119317054749
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.725976288318634
+P,0.2102612555027008
+CCCC[N+](=O)[O-],0.18240782618522644
+OC(=O)[C@H](O)C.[Na+],0.08065929263830185
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.024408604949712753
+COC(=O)CCl,0.17369553446769714
+Nc1ccc2c(n1)cccc2,0.829092800617218
+ClC(=O)OCc1ccccc1,0.03614616394042969
+CCOC(=O)c1ccccc1N,0.09651627391576767
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.955842137336731
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.9835745692253113
+O=NN1CN2CN(C1)CN(C2)N=O,0.944837212562561
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.09231628477573395
+CCCC(=O)OCC,0.0836980789899826
+ClC(=C1C=CC(=O)O1)Cl,0.5322002172470093
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8370023965835571
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.8014446496963501
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.9653854370117188
+CCC(=O)C,0.0658591240644455
+O=C1C=C(C)C(=O)C(=C1)C,0.061693329364061356
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9265716671943665
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.24079501628875732
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.007257784716784954
+O=NN1CCCN(CC1)N=O,0.9894291758537292
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5746224522590637
+N#Cc1ccc(cc1)C(=O)O,0.06898396462202072
+CCN(c1ccc(cc1)N=O)CC,0.935183048248291
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.9213271141052246
+Nc1ncc2c(n1)nc[nH]2,0.09485484659671783
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9966410398483276
+O1C[C@@H]1[C@@H]1OC1,0.8432868719100952
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8821541666984558
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.00046403304440900683
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9909197688102722
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.0012421018909662962
+OC(=O)[C@H](Br)Cl,0.28017979860305786
+CC(=O)N(c1snc2c1cccc2)C,0.12410733848810196
+OCC1OC(CC1O)n1cnc2c1ncnc2N,0.4406340718269348
+[O-][N+](=O)c1ccccc1,0.8192523717880249
+Clc1ccc(cc1)S(=O)O,0.162950336933136
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.058754365891218185
+COc1c2ccccc2nc2c1cco2,0.7576926946640015
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.03946138173341751
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.991452693939209
+OCc1c2ccccc2c(c2c1cccc2)C,0.5757305026054382
+Fc1cnc2c(c1)c(F)ccc2,0.7555516958236694
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.0002737829927355051
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.9970362782478333
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.967572808265686
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.03936726972460747
+OCc1ccc(o1)C=O,0.48874959349632263
+OCCN=N#N,0.9518178701400757
+CCCCC#N,0.05641942471265793
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.0022419325541704893
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.6454118490219116
+Clc1cccc2c1nccc2,0.23309966921806335
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.9989728927612305
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.8460564613342285
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.08384622633457184
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9884096384048462
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.15102618932724
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.9203382730484009
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.8291069865226746
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9697672128677368
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9691898226737976
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7920811772346497
+O=C1NC(=O)NC(=O)C1(O)O,0.3681245446205139
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.9945057034492493
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.7209300994873047
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.012390905991196632
+c1ccc(cc1)NNc1ccccc1,0.5842093825340271
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8815516233444214
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.007331849541515112
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.994733989238739
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.11368726193904877
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.31470221281051636
+Oc1ccc(cc1N)S(=O)(=O)C,0.3699248731136322
+O=C1NCNC(=O)N1,0.23216763138771057
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.1635199338197708
+NN(C(=O)C)C(=O)C,0.1829998791217804
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.571327805519104
+CCCCN(CCC(=O)C)N=O,0.8732796907424927
+OC(=O)c1ccccc1C(=O)O,0.09091419726610184
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.9689446687698364
+ClC/C=C/Cl,0.9713905453681946
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.972311794757843
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9729557037353516
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.903161883354187
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,0.15373638272285461
+O=C1C=Cc2c(C1=O)cccc2,0.3592729866504669
+C=CCc1ccc(c(c1)OC)O,0.23111674189567566
+CC(c1ccccc1)CN=N#N,0.9009367227554321
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9986549615859985
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9300951957702637
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.05947684496641159
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.005328960716724396
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9560178518295288
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.1474924087524414
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.0027483331505209208
+O=CC=C(Cl)Cl,0.6870843172073364
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.06693490594625473
+Clc1cc(O)c(c(c1)Cl)Cl,0.0206880085170269
+CC/N=N/O.[K+],0.7434425354003906
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,0.9613412618637085
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.9911785125732422
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.8268402814865112
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.00432284502312541
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.9958057403564453
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.0077734277583658695
+C1CC2OC2CCC2C1O2,0.278431236743927
+ONc1ccccc1c1ccccc1,0.9400161504745483
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.5815404653549194
+O/N=C/c1ccncc1,0.3812912106513977
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.0018087814096361399
+ON1CN(Cl)CN(C1)Cl.[K+],0.030364450067281723
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.3278046250343323
+[C-]#[O+],0.3598995804786682
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.13520824909210205
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.6930487751960754
+CCSC(=O)Cl,0.7486997246742249
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.15624621510505676
+O=Nc1[nH]cnc1c1ccccc1,0.9328765869140625
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9955714344978333
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.0030400461982935667
+NCCC#N,0.19960157573223114
+O1CCC2(CC1)CO2,0.17959026992321014
+Cl[C@@H](C(F)(F)F)Br,0.3552716374397278
+OCCCCCl,0.13385535776615143
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9926503300666809
+ClCC(CCl)O,0.5684190392494202
+CCCCCCCCCC[C@@H]1OC1,0.40849655866622925
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.06954684108495712
+OC(=O)C[N+](C)(C)C,0.11095006763935089
+BrCC1=C(Br)C(=O)OC1O,0.9715932607650757
+OC(=O)CCCC(=O)O,0.11896932125091553
+Nc1nccs1,0.6795822381973267
+Nc1ccccn1,0.6357175707817078
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.9263890385627747
+FC(C1=C(C=N[N]1)C(=O)O)F,0.20570938289165497
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8564335107803345
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.9842731356620789
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.06496891379356384
+SC[C@@H](C(=O)O)NC(=O)C,0.22856779396533966
+CCOC(=O)CC(C)C,0.2265513837337494
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.5113275647163391
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.007012201938778162
+O=NN1CCCC1,0.9895842671394348
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.10726187378168106
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.8240517377853394
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.030493641272187233
+C[n+]1ccc(cc1)c1ccccc1,0.22546067833900452
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.9681535959243774
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.12856832146644592
+O=C1CCCCCO1,0.05550604313611984
+Cl/C=C\Cl,0.5952062606811523
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.00807519443333149
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.7007881999015808
+CN(P(=O)(N(C)C)N(C)C)C,0.6824124455451965
+CCNC(=O)CCC(C(=O)O)N,0.06519432365894318
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.017228778451681137
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.1553952991962433
+Oc1ccc2c(c1)nccc2,0.502197802066803
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.0014776908792555332
+COc1ccccc1CC1CO1,0.9696389436721802
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.043059270828962326
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.08639367669820786
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7748931646347046
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.03282017633318901
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.0025661990512162447
+CC(c1ccc(c(c1)O)C)C,0.06169766187667847
+Nc1nnc(s1)S,0.3283796012401581
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.5896408557891846
+CCN(/C(=N/O)/C=O)N=O,0.946386456489563
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8651378750801086
+CC(=O)Nc1ccc(cc1)C(=O)O,0.26797398924827576
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.9529250860214233
+Oc1cc2ccccc2c2c1cccc2,0.7499574422836304
+Oc1ccccc1Cl,0.06634712964296341
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.22513063251972198
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9980801343917847
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9993299245834351
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.02549324557185173
+NCC=C,0.2119331657886505
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0008913806523196399
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.35971277952194214
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.00642051687464118
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.9808152914047241
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.5544412136077881
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.07085124403238297
+COc1cccc2c1OC1(C2(C)OO1)C,0.6322055459022522
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9917596578598022
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.8965514898300171
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.8853193521499634
+CC(CC(O)C)C,0.1400464028120041
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.010322999209165573
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.8955163955688477
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.9567161798477173
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.702536940574646
+OC(=O)c1ccccc1,0.10648085176944733
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.9231017827987671
+CCCCCNc1snc2c1cccc2,0.026621978729963303
+ClCCl,0.3624817430973053
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.9327901601791382
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9933344721794128
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.3975807726383209
+C(C1OC1)CC1OC1,0.8115484118461609
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.19870500266551971
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7901571989059448
+C=C1CC(=O)O1,0.19724343717098236
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.5949658155441284
+CCOS(=O)(=O)c1ccc(cc1)C,0.7629716992378235
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.10641392320394516
+CSC(/C=N\O)(C)C,0.07389623671770096
+CCN(C(=S)SCC(=C)Cl)CC,0.3591102063655853
+COC1=CC=CC=CC1,0.7181873321533203
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.5418575406074524
+OC(=O)c1c(Cl)cccc1Cl,0.06266102939844131
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,9.384070290252566e-05
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.6851378679275513
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7493635416030884
+Oc1ccc(c(c1)C)C,0.2222868949174881
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.9574565887451172
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7499574422836304
+CCOc1ccc(cc1N)N,0.9548091888427734
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.9613542556762695
+CCN([N+](=NO)[O-])CC,0.5298252105712891
+OC(=O)c1ccc(cc1)C,0.08730548620223999
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.11887951195240021
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.301151841878891
+OC(=O)CCl,0.3949730396270752
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9516800045967102
+Oc1ccc2c(c1)cccc2,0.3969326913356781
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.9746166467666626
+CCc1ccccc1O,0.15226252377033234
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.0005670779501087964
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.004747948609292507
+Clc1ccccc1Cl,0.12480777502059937
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.8793948292732239
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.5259429216384888
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.10635888576507568
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9211640357971191
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.08287761360406876
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9504246711730957
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.9854750633239746
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.16851988434791565
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.7531911730766296
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.3617360591888428
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.7898622751235962
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.09965300559997559
+Cn1c(N)nc2c1cccc2,0.9392341375350952
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.008857895620167255
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9318586587905884
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7881251573562622
+Cn1ncc(c(c1=O)Cl)N,0.1590043306350708
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.3091523349285126
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.9159073829650879
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.871679425239563
+CCOc1cccc(c1)[N+](=O)[O-],0.8433246612548828
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.012951770797371864
+BrC1=C(Br)C(=O)OC1,0.8506771326065063
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.5884857177734375
+ONc1nc(N)nc2c1nc[nH]2,0.9334259033203125
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.9005049467086792
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.027692090719938278
+O=NN1CCC[C@@H](C1)C,0.9838395118713379
+O(Cc1ccccc1)C[C@H]1OC1,0.9437705874443054
+OC1CCN(CC1)N=O,0.9773697853088379
+O=Nc1ccc(cc1)c1ccccc1,0.9440979957580566
+CN(c1ccc(cc1)N(C)C)C,0.6053180694580078
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6971246004104614
+CN/N=N/C,0.9319053888320923
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8585535883903503
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8498443365097046
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.0014831857988610864
+Nc1cc2cccc3c2c2c1cccc2cc3,0.8789963722229004
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9969032406806946
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.9727134704589844
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.7691683173179626
+COc1cc(/N=N/c2ccccc2)ccc1N,0.9851278066635132
+C=CCOC(=O)CC(C)C,0.19245606660842896
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.030482303351163864
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9978700876235962
+COc1ccc(cc1)N=O,0.9508787989616394
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.9961347579956055
+OCC#C,0.12155985832214355
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8897124528884888
+CCCCCCCCCCCCCC[C@@H]1OC1,0.40849655866622925
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.0005757015314884484
+Cc1ccc(cc1)OC[C@@H]1OC1,0.9423551559448242
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.036708567291498184
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.8098433613777161
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7850791215896606
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9763337969779968
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.004021195229142904
+Oc1cccc(c1C)O,0.5790093541145325
+O=C(C(=O)c1ccccc1)c1ccccc1,0.07190132886171341
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.9162454605102539
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.12703746557235718
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.2464749813079834
+[O-][N+](=O)c1ccc(c(c1)N)O,0.9713355898857117
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9906853437423706
+Cn1c2ccccc2c2c1cccc2,0.8717735409736633
+O=C(c1ccccc1)c1ccccc1,0.4185963571071625
+COc1nncc2c1cccn2,0.054196279495954514
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.8729438781738281
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9446085691452026
+Nc1cc(Cl)c(c(c1)Cl)N,0.6047331094741821
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.21945872902870178
+CCCC[C@H]1CO1,0.40849655866622925
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.08565560728311539
+CN,0.13171111047267914
+Oc1c2ccccc2nc2c1cco2,0.6371612548828125
+OCOC(C)(C)C,0.38712039589881897
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.0011343768564984202
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.08044124394655228
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.0028766354080289602
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5564454197883606
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.9863177537918091
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.7977228164672852
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9543878436088562
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.9684882164001465
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9981645345687866
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9949688911437988
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9739953875541687
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.16519315540790558
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.983519434928894
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.988662838935852
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.13854342699050903
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8619810342788696
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.16631855070590973
+[O-][n+]1ncc2c(c1)ccnc2,0.026035871356725693
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.797448992729187
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.786347508430481
+Cc1cccc2-c3c(C(c12)C)cccc3,0.797448992729187
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.09396085888147354
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9927278757095337
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.03447255492210388
+ClCC[N+](C)(C)C.[Cl-],0.24956336617469788
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.0009385203011333942
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.16261593997478485
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.4432663023471832
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9741095304489136
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.007428708486258984
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.9155610203742981
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.09256280213594437
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.996972918510437
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.8619810342788696
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.953288197517395
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.0016817476134747267
+CC(=O)OC[C@@H](CO)O,0.5585117340087891
+BrCC#C,0.2872077226638794
+OCCCCN(N=O)CC,0.9869452714920044
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.06650658696889877
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.42488813400268555
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.16713520884513855
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9919675588607788
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.6000653505325317
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9935859441757202
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.9733591079711914
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9585859179496765
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9579395055770874
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.8053911328315735
+O=C/C=C/C(O)C,0.913127064704895
+Clc1ccc(cc1)S(=O)C,0.02628685161471367
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.04978646710515022
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.8571076393127441
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.2591174244880676
+CCCCN(CCCC)CCCC,0.07997549325227737
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.032197363674640656
+C#CCOCC[n+]1ccccc1/C=N/O,0.04569564759731293
+ClCC1=CC(=O)OC1,0.9064127206802368
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0.19055943191051483
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.010437496937811375
+CCCCCNCCCCC,0.08655969798564911
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.06688304245471954
+NC(=S)N,0.20154914259910583
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.916685938835144
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.03659265488386154
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8839452862739563
+C=Cc1cccnc1,0.07262839376926422
+COc1cc(cc(c1O)OC)C(=O)C,0.18414239585399628
+ICI,0.36206701397895813
+COc1cc(O)nc(n1)NC(=O)N,0.012140869162976742
+OCCN1CC1,0.09373614937067032
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.6434611082077026
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.12395952641963959
+Fc1cccc2c1ccc1c2cccn1,0.9347559809684753
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.47434601187705994
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.782326340675354
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.9128808975219727
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.0031391424126923084
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7546089887619019
+CNC(=O)Oc1cccc2c1cccc2,0.6925575137138367
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.0006586567615158856
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7246170043945312
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.9382396936416626
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5590120553970337
+COC(=O)C1=CCCN(C1)C,0.06498020142316818
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.6099780201911926
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.7939640879631042
+O=C(Nc1ccccc1)Nc1ccccc1,0.21662858128547668
+Nc1ccccc1S(=O)(=O)O,0.4671359956264496
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.899383544921875
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.10647527873516083
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.673514723777771
+CC(Cc1ccc(cc1)C(=O)C)C,0.18238916993141174
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9922834634780884
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.0018869504565373063
+NS(=O)(=O)c1cccc2c1nccc2,0.019427243620157242
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.9819011688232422
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4528273642063141
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9285694360733032
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9694910049438477
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9608469009399414
+O/N=C/c1ccccn1,0.23297441005706787
+BrCc1cccc(c1)CBr,0.40310364961624146
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.09159141778945923
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9799542427062988
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.09627948701381683
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.25040918588638306
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.04597045108675957
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.005189406219869852
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.10177101939916611
+CCCNCCC,0.13249388337135315
+n1ccc2c(c1)cnnc2,0.30295056104660034
+ClCC1=C(Cl)C(=O)OC1O,0.9938745498657227
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.13187333941459656
+[O-][N+](=O)c1c(C)cccc1C,0.5727246999740601
+FC(COc1nc(N)nc(n1)N)(F)F,0.0026055299676954746
+CCCCSCC[C@@H](C(=O)O)N,0.09151344746351242
+OC1C=Cc2c(C1O)nccc2,0.3334229588508606
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.8646798133850098
+CC(=O)OC(=O)C,0.172014981508255
+BrCc1ccccc1CBr,0.3228505253791809
+O=NN(C)C,0.8988854289054871
+CCN=C=S,0.7028205990791321
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.8374439477920532
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8577333688735962
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.06966136395931244
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.056153278797864914
+FC(Br)(Cl)F,0.36441856622695923
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.014084754511713982
+O/N=C(/c1ccccc1)\N,0.723477840423584
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.9825388789176941
+S=C=Nc1cccc2c1cccc2,0.09736748039722443
+Nc1ncnc2c1ncn2Cc1ccccc1,0.8193893432617188
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.9874914288520813
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.006583105772733688
+CCCCCCCCCC(=O)O,0.02227320708334446
+N[C@@H](C(=O)O)CS,0.6325245499610901
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.5324884653091431
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.8713687658309937
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.41432467103004456
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.9915710687637329
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.16487635672092438
+[O-][N+](=O)c1cccc2c1cccc2C,0.9501131176948547
+O=NN(CC(=O)C)C[C@H](O)C,0.959156334400177
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8235899209976196
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.17938116192817688
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.1877659261226654
+ClCc1ccc(cc1)[N+](=O)[O-],0.8667870759963989
+C=Cc1ccccn1,0.2382756769657135
+CSCC(C(=O)O)N,0.2051234245300293
+C[C@@H](c1ccccc1)Br,0.09627094119787216
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.6364719271659851
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.5731661915779114
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.020532771944999695
+O=Cc1cccc(c1)c1ccccc1,0.2374022752046585
+Nc1ccccc1,0.6751158237457275
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.3963869512081146
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.0074639394879341125
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.6715099811553955
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.034158654510974884
+[O-][n+]1cccc2c1cccc2,0.18468880653381348
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8480690717697144
+NCCNCCN,0.5965990424156189
+ClC[C@@H](CBr)Cl,0.972137451171875
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.7417821884155273
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.9116972088813782
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.9911118745803833
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.8441271781921387
+Cc1ccccc1O,0.1949944794178009
+CN(C(=O)OCC)N=O,0.9857722520828247
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.23514601588249207
+O=C1NS(=O)(=O)c2c1cccc2C,0.05018762871623039
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.0013933805748820305
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.16851988434791565
+COc1ccc(cc1N)C,0.7017260789871216
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9605253338813782
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.30568116903305054
+C/C=C/c1ccc(c(c1)OC)O,0.16732318699359894
+COc1ccc(cc1)N.Cl,0.8381921648979187
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.010710557922720909
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,5.9363133914303035e-05
+OC(=O)c1ccccc1C(F)(F)F,0.14824867248535156
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.02243060991168022
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6293547749519348
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.980868935585022
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.9188928604125977
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.0006022872985340655
+CCC/C=N\O,0.48006922006607056
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.007618035189807415
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0031184949912130833
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.6550415754318237
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.0023101449478417635
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9854843020439148
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.0431930236518383
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9757800102233887
+Clc1cccc(c1O)Cl,0.06464646756649017
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.26741495728492737
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.9962925910949707
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9631128311157227
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.9488182067871094
+CCN(CC)N,0.6659232378005981
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.16845808923244476
+[O-][N+](=O)c1cccc2c1csn2,0.9312396049499512
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9981001019477844
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.9854148626327515
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9955419301986694
+CCCCCO,0.04033791273832321
+OC(C(Cl)(Cl)Cl)O,0.32414641976356506
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.5702527165412903
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.997180163860321
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.9738717079162598
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.027567217126488686
+Nc1ccccc1Cl,0.6019380688667297
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.5234670639038086
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8399372100830078
+NC(=O)Nc1nc2c([nH]1)cccc2,0.1141190379858017
+CCNN=NCC,0.8830887675285339
+Fc1cc(F)c2c(c1)nccc2,0.9541844129562378
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.9846135973930359
+CCSCCSP(=O)(OC)OC,0.4891746938228607
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.057228755205869675
+COCCl,0.36318981647491455
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5021237730979919
+CC(=O)Nc1ccccc1,0.5033686757087708
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.503097414970398
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.05344714969396591
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5874063968658447
+NCC(=O)O,0.0738384947180748
+NCCc1ccc(c(c1)O)O,0.4066929817199707
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.904168963432312
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9203516840934753
+O/N=C(/c1ccc(c(c1)O)O)\N,0.7443739175796509
+O1CC1Cc1ccccc1,0.9606590270996094
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8141348958015442
+OC(=O)c1ccccc1O,0.112234927713871
+ClC(=O)c1ccccc1C,0.9427253603935242
+CC(O[P@@](=O)(F)C)C,0.03825310990214348
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.832114577293396
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.9831128120422363
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.8314286470413208
+ONc1cc[n+](c2c1cccc2)[O-],0.6549721360206604
+[O-][N+](=O)c1cccc2c1cccc2,0.9437569379806519
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7218695282936096
+OCCS,0.4757557511329651
+Fc1ccc2c(c1F)cccn2,0.7749924063682556
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.4622836709022522
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.7393594980239868
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.989436149597168
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9940521121025085
+CC(=O)Nc1cccc(c1)C,0.543245792388916
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8765943646430969
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.031408991664648056
+CCCCNc1snc2c1cccc2,0.05440147966146469
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.029948988929390907
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9134333729743958
+O=NN1CCC(=O)NC1=O,0.9795401692390442
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.9913484454154968
+O=NN1CCNCC1,0.9668906927108765
+Cc1ccc(o1)C,0.23146554827690125
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8827493786811829
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.8429574966430664
+Oc1ccc2c(c1N)cccc2.Cl,0.5893794298171997
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.1514262557029724
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9865511655807495
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.9048223495483398
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.03676825761795044
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.0005431081517599523
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.8870668411254883
+SCc1ccccc1,0.2358764410018921
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.011813348159193993
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.2835833728313446
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.015795331448316574
+CCCNc1snc2c1cccc2,0.06380407512187958
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.995453953742981
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9747626185417175
+ClC[C@H](Cl)C,0.9293922185897827
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.8014593124389648
+ClCC(=O)c1ccc(cc1Cl)Cl,0.49330106377601624
+CN1CCOCC1,0.058891694992780685
+O=C1CC=C(O1)C,0.3155149221420288
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.014926184900105
+Cc1ccc(cc1)[C@H]1OC1,0.65870600938797
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.006647057831287384
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.00019397292635403574
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.9135751724243164
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0.27314671874046326
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.16720235347747803
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.7568575739860535
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.8974214792251587
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.893878161907196
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.9812029004096985
+OCCc1ccccc1[N+](=O)[O-],0.4797126352787018
+NC(=O)NO,0.3997857868671417
+Ic1cccc(c1)[N+](=O)[O-],0.5119345784187317
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.8206774592399597
+Brc1cccc(c1)c1ccccc1,0.2434995472431183
+C1CCCC1,0.21364550292491913
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.7553611993789673
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.9871180653572083
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.9792474508285522
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.5809401273727417
+ClCC(F)(F)F,0.3011496663093567
+BrC(C1=C(Br)C(=O)OC1O)Br,0.988134503364563
+Clc1nncc2c1nccc2,0.26870283484458923
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.9211685061454773
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9418865442276001
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9395824670791626
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9408725500106812
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.10771346092224121
+[O-][N+](=O)[C@@H](CC)C,0.32832011580467224
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9605836868286133
+[O-][N+](=O)[CH-]CCC,0.06916105002164841
+CCCCOC(=O)c1ccc(cc1)N,0.035760682076215744
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.6906980872154236
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.03061072528362274
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9000846743583679
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.07369150221347809
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.03107660636305809
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.04517534002661705
+O=c1cn[nH]c(=O)[nH]1,0.9474852681159973
+OCC[N+](C)(C)C,0.08233115822076797
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7375309467315674
+[Al]#P,0.35450536012649536
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.8152279853820801
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8272629976272583
+OCc1ccc(cc1N)[N+](=O)[O-],0.9182561635971069
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.6235802173614502
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5217715501785278
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.963121235370636
+C[n+]1cccc(c1)C(=O)O,0.07313413918018341
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.0277943704277277
+C[C@H](C(=O)N)Br,0.9011241793632507
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.10598520934581757
+Oc1cc(Cl)cc(c1)Cl,0.04649658501148224
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9947236180305481
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.03032832406461239
+Nc1ccc(c(c1)N)Cl,0.8540730476379395
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.011235443875193596
+O=S1(=O)OCCCO1,0.9529705047607422
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9959478378295898
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.272470623254776
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.0019039796898141503
+ONc1ccc(cc1)c1ccccc1,0.91192626953125
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.2651476562023163
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0.15948189795017242
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.2517457604408264
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.2284892499446869
+OCC(=O)CO,0.3806932270526886
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.9471582174301147
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.034989241510629654
+OCCCNP(=O)(N(CCCl)CCCl)O,0.994295597076416
+COC(=O)C=C,0.1779356598854065
+CC(c1ccccc1)N(C)C,0.08669433742761612
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.4235190451145172
+CC(Nc1nc(N)nc(n1)Cl)C,0.0072944858111441135
+Nc1sc2c(n1)cc(c(c2)C)C,0.5182209610939026
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.34277021884918213
+Oc1[nH]cnc2-c1cnn2,0.17004093527793884
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9849568605422974
+CN(CCOC(=O)C(=C)C)C,0.03459955006837845
+CC1=CC[C@@H](CC1)C(=C)C,0.007998108863830566
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.30644455552101135
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.11733551323413849
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.6700572371482849
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.2711716294288635
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.6312603950500488
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.001170603558421135
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.742233157157898
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.6899773478507996
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.9056239128112793
+C/C=C/Cl,0.745583176612854
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.009024063125252724
+[O-][N+](=O)c1cccc2c1snc2Cl,0.9861773252487183
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9672757983207703
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.0006642179796472192
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9929963946342468
+CSCCl,0.1767413318157196
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.9861982464790344
+CCOc1ccc(cc1)N=O,0.8825557827949524
+CCl,0.3613851070404053
+ONc1ccc(cc1)/N=N/c1ccccc1,0.9201726913452148
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.19560256600379944
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.02682955004274845
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9066739082336426
+CNc1ccc(cc1)/N=N/c1ccccc1,0.7700290679931641
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.8500971794128418
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.2674878239631653
+O=Cc1c(Cl)cccc1Cl,0.2186061441898346
+Clc1ccc(c(c1)O)Cl,0.037941526621580124
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.4886443614959717
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9988294839859009
+FC(I)(F)F,0.3548569977283478
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.30143576860427856
+N1CCc2c(C1)cccc2,0.32159072160720825
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.03058989904820919
+CCCCCN(CCCCC)CCCCC,0.03721620887517929
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.9422706365585327
+On1nnc2c1cccc2,0.08901592344045639
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.7448920011520386
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.5527404546737671
+CN1CCN(CC1)C,0.20934522151947021
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9913655519485474
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7835044860839844
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.009540492668747902
+O1CCOCCOc2c(OCCOCC1)cccc2,0.0924057587981224
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.3664403259754181
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9969760179519653
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.0018500167643651366
+Cc1ncc[nH]1,0.38761401176452637
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.6861938834190369
+C1O[C@H]1C=O,0.6039294004440308
+OCCCl,0.6573160886764526
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.9272345304489136
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.3570880889892578
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.1905406266450882
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.970563530921936
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.8855497241020203
+Nc1cc(nn1C)C1CC1,0.433768093585968
+Nc1cccc(c1C)N,0.8521329760551453
+ClCCOC(=O)Cl,0.9157406091690063
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.0018058676505461335
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.017897462472319603
+CC(Nc1nc(O)nc(n1)O)(C)C,0.014047609642148018
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,9.01196472113952e-05
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.1483909785747528
+Cc1ccccc1,0.21561646461486816
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.005320854485034943
+COC(=O)c1ccccc1N,0.265332967042923
+[O-][N+](=O)c1ccccc1O,0.23173360526561737
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.8721696734428406
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.9054828882217407
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0010386963840574026
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.013118905946612358
+Clc1ccc2c(c1)cccn2,0.5858527421951294
+OC(=O)COc1ccccc1,0.07598820328712463
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.9894415140151978
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.04587741196155548
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9632576107978821
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.5440294146537781
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.9477365612983704
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.24315178394317627
+CC(=O)OCN=[N+](C)[O-],0.568827748298645
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.7469543218612671
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9736238718032837
+O=C1C=CC(=O)O1,0.4175509512424469
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.9349167943000793
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.018618980422616005
+[O-]P(=O)(OC)O,0.37098655104637146
+OCC(CBr)(CBr)CBr,0.6038914918899536
+CCC(CC(CC(Cl)C)Cl)Cl,0.42949849367141724
+CCOC(=O)N(CCOC(=O)C)N=O,0.9941225051879883
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.1281944066286087
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9984093904495239
+Nc1ccc(cc1)S(=O)(=O)O,0.2941003441810608
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.9284543991088867
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.36415165662765503
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8851698040962219
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.23099598288536072
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9632102847099304
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.955386757850647
+C1C2SCC=CN2C1=O,0.18572723865509033
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.809593677520752
+NC(=N)N,0.5154644250869751
+CNC1Cc2cccc3c2c(C1)ccc3,0.8347533941268921
+OC(=O)c1cccc2c1nccc2,0.22103281319141388
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.014382603578269482
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.32312265038490295
+CCOP(=O)(OCC)OCC,0.21765919029712677
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8742159605026245
+CCOCOCC,0.24196620285511017
+C/C(=N/O)/CC,0.9004021883010864
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9658979177474976
+NCCc1c[nH]c2c1cccc2,0.3987269401550293
+ONc1ncnc2c1nc[nH]2,0.9765502214431763
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5487076640129089
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.17024047672748566
+NC(=O)CCCCC(=O)N,0.3646450340747833
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8448570370674133
+NNC(=O)CNc1ccc2c(c1)cccc2,0.7525174021720886
+ClC(c1ccccc1)(Cl)Cl,0.9176487922668457
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.010008208453655243
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.3698410391807556
+ClCCOCCCl,0.7505027651786804
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9075311422348022
+CN(c1ccccc1)C,0.5375784039497375
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.01745935156941414
+OC(=O)C(Oc1cccc2c1cccc2)C,0.10115043818950653
+Oc1ccc(c(c1)C(C)(C)C)O,0.012475675903260708
+NCCCl,0.7957119941711426
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.9696542024612427
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9991019368171692
+COC(=O)C1OC1c1ccccc1,0.0683603435754776
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.017376909032464027
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.986224353313446
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.9721032381057739
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9186428785324097
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.27979689836502075
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9886188507080078
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.8698895573616028
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9708231687545776
+Cc1cccc(c1)N,0.43494778871536255
+CC(COC(=O)C=C)O,0.14575226604938507
+CCCCCCCCCCCC[C@H]1CO1,0.3157044053077698
+ClC1CCN(CC1)N=O,0.9856209754943848
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9926968812942505
+O=C1C=C(O)C(=O)c2c1cccc2,0.5749114751815796
+CCCCCCCCCC=C,0.054734401404857635
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9831184148788452
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.01961893029510975
+Oc1ncnc2c1cccc2,0.10946661233901978
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9806642532348633
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.5311910510063171
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.8380672335624695
+O=C(c1ccccc1O)Oc1ccccc1,0.06470760703086853
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,0.9776614904403687
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.002947693457826972
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8884461522102356
+CN(C)C,0.3235015273094177
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.841630756855011
+O=Nc1ccccc1C,0.6932233572006226
+O(CC1OC1)CCOCC1OC1,0.9498344659805298
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.31525641679763794
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.0001928754209075123
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.08107432723045349
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.99883633852005
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.005808019079267979
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9862829446792603
+BrC([N+](=O)[O-])(Br)Br,0.5388096570968628
+CC(=O)CCC(=O)C,0.04171338677406311
+ClCc1ccc(cc1)F,0.5072933435440063
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.3386319577693939
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.0010030011180788279
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.04373970627784729
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.7901087999343872
+N#N=Nc1nc2c([nH]1)cccc2,0.85319983959198
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9913655519485474
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.5593165159225464
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.03540362790226936
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.9303814768791199
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.9202364087104797
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.5849400758743286
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.9040341377258301
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.00042581852176226676
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.2077905684709549
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.16636744141578674
+OCC(=O)N(c1ccc(cc1)Cl)O,0.4727219045162201
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.952400803565979
+COCCOC(=O)C=C,0.22293135523796082
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.736596941947937
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.005397553090006113
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.7465307712554932
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.1464506983757019
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.0005985634052194655
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.8674473762512207
+ClC(C(Cl)(Cl)Cl)Cl,0.3133809268474579
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.3761821389198303
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.13976767659187317
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0006581988418474793
+CC(=O)N(c1ccccc1C)O,0.2990742027759552
+ClC(=O)c1c(Cl)cccc1Cl,0.8444039225578308
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.7976858615875244
+[O-][N+](=O)c1ccnc2c1cccc2,0.9484800100326538
+Clc1cc(Cl)nc(n1)N,0.10729537159204483
+CC(=O)OC=C,0.1674509346485138
+OC(=O)/C=C/C(=O)CC(=O)C,0.009965148754417896
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9344571232795715
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.1199120506644249
+COC(=O)c1ccc(cc1)O,0.06264237314462662
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.32200127840042114
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.529731273651123
+Oc1cc2nnsc2c(c1)C(=O)O,0.3437267243862152
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.7202309966087341
+CC1OC(C)CN(C1)N=O,0.9875062704086304
+O=c1[nH]cc(cc1O)C(F)(F)F,0.18115925788879395
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8693320155143738
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9189467430114746
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.023229166865348816
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.2898574471473694
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.025465596467256546
+O=CC(=C(C)C)Cl,0.8889223337173462
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9314802289009094
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.007479461841285229
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7249539494514465
+COc1nsc2c1cccc2N,0.9762017130851746
+OCCOCCO,0.15199510753154755
+C=CC(=O)NCCC[N+](C)(C)C,0.0649934858083725
+Nc1cccc2c1cccn2,0.904513955116272
+CN1CCNCC1,0.18900874257087708
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.9404004812240601
+CNC(=O)ONC(=O)NC,0.2665768265724182
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.7545616030693054
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.12185527384281158
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.8139967918395996
+O=NN(CCCC(=O)c1cccnc1)C,0.9930419921875
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9890300631523132
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.004628320690244436
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.04465917497873306
+CCCCOc1ccc(cc1)N=O,0.7112280130386353
+Clc1cc(Cl)c(cc1Cl)Cl,0.08838002383708954
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.013028718531131744
+OC(=O)O.[Na+],0.049799107015132904
+COc1ccc2c(c1)sc(n2)N,0.7770010232925415
+Cc1ccc(o1)C=O,0.8465390205383301
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.004666351713240147
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9221970438957214
+OCc1c2ccccc2cc2c1cccc2,0.6751806735992432
+Nc1ccc(cc1)Cl,0.5364095568656921
+CC(OOC(C)(C)C)(C)C,0.16217151284217834
+CC(NC(C)C)C,0.12802442908287048
+NNC(=O)c1ccncc1,0.4401158392429352
+Cc1cc2cccnc2c(c1)C(=O)O,0.3906041085720062
+ONC(=O)Cc1cn(cn1)N=O,0.9557530283927917
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.033063530921936035
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.7200532555580139
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.19951923191547394
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.08336608856916428
+CNC(=O)ON.Cl,0.8299294710159302
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9862845540046692
+NC(=O)c1cnccc1C(F)(F)F,0.016342855989933014
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.03910176455974579
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.0287452582269907
+CCCCN(CCCCO)N=O,0.9385627508163452
+CCN(C(=O)N)N=O,0.9674383401870728
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5726426839828491
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.0019198848167434335
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.10928672552108765
+C1CCO1,0.2660551071166992
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.00344627583399415
+C1CCCCCC2C(CCCC1)O2,0.18414096534252167
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.9035629034042358
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.17001235485076904
+CCC/C=C/C=O,0.8008530735969543
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.994176983833313
+ClCCNC(=O)N(CCCl)N=O,0.9988006353378296
+Nc1ccc(cc1)c1ccc(cc1)N,0.8742159605026245
+Fc1ccc2c(c1)sc(n2)O,0.6873196363449097
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9824182391166687
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.984056830406189
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.7693943977355957
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9804443120956421
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.5153740644454956
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.47230464220046997
+COCCOCCOC,0.40931931138038635
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.9986637234687805
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.14179496467113495
+O=CC=C(C)C,0.7825093865394592
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.3058922290802002
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8146276473999023
+C[C@@H]1O[C@H]1c1ccccc1,0.6930612921714783
+OC(C(F)(F)F)C(F)(F)F,0.0724218338727951
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.00634979922324419
+CC(CCCCCCCOC(=O)C(=C)C)C,0.006218520924448967
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.18892629444599152
+CCc1nccc(c1)C(=S)N,0.4015313982963562
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.0016868805978447199
+Nc1nc(O)c2c(n1)nn[nH]2,0.0075880601070821285
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.09277291595935822
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.06793887913227081
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9700334668159485
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.1413944661617279
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.951123833656311
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.7063899040222168
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,0.033049315214157104
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.12111134827136993
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.6427401304244995
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.07738371193408966
+NC(C(=O)O)CSC(C(F)F)(F)F,0.30994051694869995
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.005232148803770542
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.054924916476011276
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8640786409378052
+OCCNCCO,0.38466647267341614
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.027461400255560875
+Cc1cc(C)nc(n1)N,0.04934775084257126
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.5032137036323547
+NCN,0.3564550280570984
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.024714453145861626
+CC(C(O)C)O,0.14226481318473816
+OC(=O)c1ccccc1N,0.4499203562736511
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.03518976271152496
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.2381027638912201
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.14487452805042267
+OC(=O)/C=C/Cl,0.2525424361228943
+BrC(=C)C(=O)O,0.7196478843688965
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8410900235176086
+Cc1ccc(c(c1)C)O,0.13880395889282227
+Nc1nc2c(s1)ccc1c2cccn1,0.6219008564949036
+C1CN2CCN1CC2,0.26758304238319397
+CSC(=O)c1cccc2c1snn2,0.6186798214912415
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.46847420930862427
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.07177237421274185
+CC(=O)OCc1ccccc1,0.46351176500320435
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.947867751121521
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.39133018255233765
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.977206826210022
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.0012782837729901075
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.003767079906538129
+NNS(=O)(=O)c1ccc(cc1)C,0.11773107200860977
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.9655658602714539
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.2527812719345093
+O=C1CCCC=C1,0.5334049463272095
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.22372552752494812
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.12155808508396149
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.888625979423523
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.2379554808139801
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.3296239674091339
+Cl[C@H]1O[C@H]1CBr,0.9598957896232605
+O=C1NC(=O)C(=C1Cl)Cl,0.7714676260948181
+Oc1nc2c(C)cccc2nc1O,0.5216867923736572
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6198328733444214
+FC(C(Cl)(F)F)(Cl)F,0.1705014407634735
+NC1c2ccccc2-c2c1cccc2,0.5358027219772339
+CN(Cc1ccccc1)C,0.3966294825077057
+CC(=CC1C(C1(C)C)C(=O)O)C,0.06689159572124481
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.706376314163208
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.39363110065460205
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.016541266813874245
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.849709689617157
+Nc1cnc2c(c1)nc1n2cccc1,0.9738261103630066
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0004588122828863561
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.663533627986908
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.018996911123394966
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8665388226509094
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.02976173721253872
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.1477930247783661
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.7699300050735474
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.25292569398880005
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.9689444303512573
+CN1CCC(=CC1)c1ccccc1,0.1987188756465912
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.03645548224449158
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.7305010557174683
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.02545856311917305
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.03841511532664299
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9862845540046692
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.8281087875366211
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.00084718968719244
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.035354096442461014
+COc1cccc2c1nc(s2)N,0.28834113478660583
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.8851819038391113
+c1ccc2c(n1)c1[nH]ccc1cc2,0.7342551946640015
+CC(=O)Nc1cccc(c1)O,0.2693236470222473
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.023425670340657234
+ONc1cc(C)ccc1C,0.880022406578064
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.7031224966049194
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8818790316581726
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9929928779602051
+CC(=O)Oc1ccccc1C(=O)O,0.009346512146294117
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.026044290512800217
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.5180052518844604
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9705273509025574
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9594380259513855
+CN(C(=N)N(C)C)C,0.44816797971725464
+OC(=O)C(F)(F)F,0.09272690117359161
+CCCCN=NC(OO)(C)C,0.43292587995529175
+O=NN(CC(=O)COC(=O)C)C,0.9748121500015259
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9645703434944153
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.6751239895820618
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.1295357495546341
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9968608021736145
+CC(=O)CCOOCCC(=O)C,0.03562185913324356
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.23659881949424744
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.17117571830749512
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.004475576337426901
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9039422273635864
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.9145720601081848
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.8659512400627136
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9780923128128052
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.82081538438797
+Fc1ccc(c2c1ccc1c2nccc1)F,0.8090835809707642
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.07363410294055939
+OC(=O)c1cnccc1C(F)(F)F,0.019554246217012405
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.007949015125632286
+Cc1ccc(c(c1)O)O,0.3548775315284729
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.806738555431366
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9913345575332642
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.009118271060287952
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9870859980583191
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.026641666889190674
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9552682638168335
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9615876078605652
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.634800136089325
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.7186190485954285
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.017042705789208412
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.23962187767028809
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9662456512451172
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.19272707402706146
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9861443638801575
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.004608874209225178
+Clc1cncc(c1)Cl,0.011174788698554039
+C[C@@]1(CO1)[C@H]1CO1,0.9575302004814148
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.5106862783432007
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9904278516769409
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.0610012523829937
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.9425588846206665
+Cc1c(C)ccc(c1C)C,0.32977068424224854
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.4886443614959717
+Cc1ccc(cc1)C(C)(C)C,0.0278894305229187
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.9897252321243286
+Nc1cccc(c1)c1ccccc1,0.9006427526473999
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7651325464248657
+CCCCN(C(=O)N)N=O,0.9391123056411743
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.014431370422244072
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.4972139298915863
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.9352534413337708
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.05303030461072922
+Clc1cccc(c1NC1=NCCN1)Cl,0.46078354120254517
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.64806067943573
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4650615155696869
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.9530647993087769
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9837560653686523
+CCCCN(CCO)N=O,0.9830672144889832
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.9152771830558777
+ONc1cc(ccc1C)[N+](=O)[O-],0.9817099571228027
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.83856600522995
+ClC([C@H]1OC1)(Cl)Cl,0.8984163403511047
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.002694088267162442
+BrCBr,0.36008819937705994
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.04222909361124039
+Nc1cccc(n1)N,0.5880919694900513
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.9909259676933289
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.806916356086731
+NC(=O)CBr,0.31816306710243225
+Clc1nc2ccccc2nc1Cl,0.2012580931186676
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9649686813354492
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.7932800054550171
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.3489469885826111
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.005685779266059399
+ONc1ccc(cc1)[N+](=O)[O-],0.9807378649711609
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.28169092535972595
+O(Cc1ccccc1)CC1OC1,0.9526499509811401
+CCN(C(=N)N[N+](=O)[O-])N=O,0.990350067615509
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.9369238018989563
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.1464477777481079
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.006248227320611477
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9476969838142395
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9995036125183105
+CN1CCN=N1,0.9407520294189453
+CCCCOO,0.775656521320343
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.044984061270952225
+CC(=O)OCc1ccc2c(c1)OCO2,0.6126919984817505
+Cl[C@@H]1CO1,0.37484002113342285
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.28574591875076294
+BrCC(CBr)Br,0.7944054007530212
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9571746587753296
+CC[S@@](=O)CCSP(=O)(OC)OC,0.8457845449447632
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.8257315754890442
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.6899373531341553
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.8889797925949097
+CN1C=CN(C1/C=N/O)CCOCC#C,0.031710878014564514
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9613285064697266
+Clc1ccc(c(c1)Cl)N,0.3271762728691101
+Cc1cccnc1,0.14188984036445618
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6504534482955933
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.3698410391807556
+COc1cccc(c1)[N+](=O)[O-],0.9032168388366699
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.48555198311805725
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8643439412117004
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9054306149482727
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.42087322473526
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.9867607355117798
+COc1cc(Cl)nnc1c1ccccc1,0.08517419546842575
+CN(N=Nc1ccccc1)C,0.8858669996261597
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.5622738003730774
+NCCNCC,0.5319455862045288
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.00469101220369339
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.118929423391819
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.07560475170612335
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.8341938257217407
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.0432283990085125
+CCN1CCOCC1,0.04152913764119148
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.920492947101593
+O=C/C=C/c1ccccc1Cl,0.19488103687763214
+Nc1cccc2c1nccc2,0.8627595901489258
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9544278979301453
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.6859008073806763
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.3615036606788635
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.9486371278762817
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.14848923683166504
+CCN(N=O)CC,0.9678570032119751
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9968141317367554
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9495447278022766
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.14191575348377228
+Sc1ncnc2c1[nH]cn2,0.9092680811882019
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9955113530158997
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.04577387496829033
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.8740822076797485
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.8884526491165161
+[O-][n+]1ncc2c(c1)cccn2,0.049734294414520264
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0.1236000657081604
+CCN(N(N=O)O)CC,0.9419010281562805
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.928383469581604
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.06499497592449188
+O1CC1,0.30851513147354126
+COc1cccc(c1)N,0.851218581199646
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.028888648375868797
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9957531690597534
+Cc1nccnc1C,0.19824528694152832
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.017858093604445457
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.14132317900657654
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.002092739101499319
+N#CC(N=NC(C#N)(C)C)(C)C,0.0560518316924572
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.9547533988952637
+CCN(c1ccc(cc1)N)CC,0.724685549736023
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9947616457939148
+CCCCCC(=O)O,0.021604333072900772
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.8182274103164673
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.5090841054916382
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8349733352661133
+CC[Si](CC)(Cl)Cl,0.3622126877307892
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.046258799731731415
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.01181098259985447
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.1578017622232437
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.021809177473187447
+CCCSSCC=C,0.16330686211585999
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.6618914604187012
+CCC(Nc1snc2c1cccc2)C,0.07780343294143677
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.7334659695625305
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.0010560478549450636
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9709745645523071
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8665388226509094
+O=NN1CCCCCC1,0.9746249914169312
+CCCCOc1ccc(cc1)CC(=O)NO,0.32905274629592896
+CCCCOCCO,0.031087633222341537
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9543860554695129
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.013406030833721161
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8267874717712402
+NNc1ccccc1[N+](=O)[O-],0.9141989946365356
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.01059762854129076
+CCCCC,0.06285883486270905
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9078556299209595
+N[C@H](C(=O)O)CSCc1ccccc1,0.20080211758613586
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.9849165081977844
+CCCCCC(=O)OCC=C,0.016875043511390686
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.526269257068634
+C=Cc1ccc(cc1)[N+](=O)[O-],0.5306912064552307
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.9172990918159485
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.04752989858388901
+NNC(=O)N,0.39994016289711
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9201682806015015
+Nc1ccc2c(c1)ccc1c2cccc1,0.9633476138114929
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.7452651858329773
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.04032031446695328
+O=C/C=C\c1ccccc1,0.2285853624343872
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.991889476776123
+C=Cc1ccccc1C=C,0.10122797638177872
+O=S1(=O)CCCC1,0.29270562529563904
+CC(CC(=O)Nc1ccc(cc1)O)O,0.12121360003948212
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.9234393835067749
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5654251575469971
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.997947096824646
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.550491452217102
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8452447056770325
+Fc1ccc2c(c1)sc(n2)C(O)C,0.4350346624851227
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.9012395739555359
+Cc1ccc(c(c1)O)C(C)C,0.06553062051534653
+C=CCNCC=C,0.17359915375709534
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.827445387840271
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.9206218719482422
+CC(=O)/C=C/c1ccco1,0.3040274679660797
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.4583374857902527
+COc1ccc(c(c1)OC)N,0.9427841305732727
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.841404914855957
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.058256249874830246
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7553201913833618
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9802648425102234
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.38955631852149963
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.3902422785758972
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.8277766108512878
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.011511682532727718
+Cc1ccc(cc1)C,0.2702237367630005
+[O-][N+](=O)c1c(N)cccc1O,0.880480945110321
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.00018280207586940378
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.7423901557922363
+ClCBr,0.3565821349620819
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.01931878551840782
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.39268070459365845
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7289101481437683
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.8403612375259399
+OCC(C1OC(=O)C(=C1O)O)O,0.09097382426261902
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9915951490402222
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.015055360272526741
+Cc1ccc(cc1)C(N)C,0.3455349802970886
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9890119433403015
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.11442430317401886
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9917298555374146
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.998492419719696
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.31788745522499084
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.5428023338317871
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9946572184562683
+Cc1ccc(cc1)C(O)(C)C,0.10387422144412994
+NC1CC(C)(C)N(C(C1)(C)C)O,0.12950971722602844
+CCCCN(CC[C@H](O)C)N=O,0.8706313967704773
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.2631523311138153
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7781063318252563
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9937636256217957
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.01062331534922123
+OC(=O)c1ccccc1Cl,0.08016873151063919
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.8239489793777466
+OC(=O)C[C@@H](C(=O)O)C,0.13990263640880585
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9671837687492371
+CNNC,0.3185112774372101
+Oc1cnnc(n1)O,0.055042244493961334
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.47510606050491333
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.05704609677195549
+Cc1ccc2c(c1)nccc2,0.5301288962364197
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.22499363124370575
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9468592405319214
+CCCCN(COC(=O)C)N=O,0.9788535833358765
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.982979416847229
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.7827765345573425
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.9675698280334473
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.3145785927772522
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.8701255917549133
+CC1(C)C2CC3C(C1C2)(C)O3,0.010848206467926502
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.004513762425631285
+O=CN(c1ccc2c(c1)cccc2)O,0.589837908744812
+Cl[Cu]Cl,0.35741907358169556
+COC1OC1(C)C,0.735855221748352
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.9236780405044556
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.023441476747393608
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8467367887496948
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.00018048535275738686
+Clc1ccc(cc1)[N+](=O)[O-],0.6536667943000793
+CCC(=O)Nc1snc2c1cccc2,0.21401762962341309
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.34741973876953125
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8844512701034546
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.39691025018692017
+OC1C=CC=CC1O,0.6245211362838745
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9852306246757507
+CCCCc1c(=O)nc([nH]c1C)NCC,0.010448629036545753
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.5036255717277527
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.25171518325805664
+BrCC#N,0.38736170530319214
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.7719854116439819
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.3326096832752228
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9287115335464478
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.08971630036830902
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.09045831859111786
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.8877027630805969
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.3441070318222046
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.9858094453811646
+COc1ccccc1c1ccccc1,0.5786542892456055
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9465759992599487
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.044091396033763885
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.01344184298068285
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.19730925559997559
+Nc1cccc2c1cc1ccccc1c2,0.8831630945205688
+NN1C(=O)c2c(C1=O)cccc2,0.33423417806625366
+CCOC(=O)CC(=O)C,0.010547500103712082
+COC(=O)CC(=O)OC,0.10272921621799469
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.667717456817627
+CNC(=O)Nc1ccc(cc1)Br,0.016849465668201447
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.8733366131782532
+CC(=O)Nc1cccc2c1nccc2,0.6080762147903442
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.9712802767753601
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8914841413497925
+CCC1OC1c1ccccc1,0.28771722316741943
+O1CCOCCOCCOCC1,0.30851513147354126
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.8136265873908997
+CC(CO)Cl,0.9139386415481567
+N#N=NCCC(C(=O)O)N,0.98582524061203
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.967974066734314
+N[C@@H](C(=O)O)Cc1ccccc1,0.2672889530658722
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.44165492057800293
+Cn1c(N)nc2c1c1cccnc1cc2,0.9739494323730469
+OC(=O)c1c(N)cccc1N,0.332044780254364
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.3973340392112732
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.7135987281799316
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9552884101867676
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.009811339899897575
+CCCCOP(=O)(OCCCC)OCCCC,0.03561688959598541
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.996222198009491
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.8013471364974976
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.014308536425232887
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.01582430489361286
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.7038527727127075
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.033928412944078445
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.046720944344997406
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.04866613820195198
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.025736764073371887
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.9089268445968628
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.13216185569763184
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.002090865047648549
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9672757983207703
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.8380672335624695
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8588746786117554
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.6508569121360779
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9254725575447083
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.34862393140792847
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.9809991717338562
+O/N=C/C(=O)Nc1ccccc1,0.45777377486228943
+ClN1C2C1c1ccccc1-c1c2cccc1,0.9198344945907593
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.014359687454998493
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.90617436170578
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7269737124443054
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.6355613470077515
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.39587828516960144
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.10793403536081314
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.9734432101249695
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,0.02060840092599392
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9783746600151062
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.043212614953517914
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.00976625643670559
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.006655844859778881
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9292759895324707
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.5402147173881531
+COP(=O)(O)O,0.24564072489738464
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.13495635986328125
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9673333168029785
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.5132651925086975
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.011480365879833698
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.00021469895727932453
+C[C@H](CO)Cl,0.9022642970085144
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.37293967604637146
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.21476984024047852
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.1013067364692688
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.52121901512146
+CNc1c(C)cc2c(c1N)cccn2,0.9598311185836792
+OC1COC(=C(C1=O)O)C,0.8491511344909668
+Cc1ccc2c(n1)cccc2,0.24580416083335876
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9990348815917969
+Clc1cccc2c1cccn2,0.48762816190719604
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9590117335319519
+COc1cc(CCC(=O)C)ccc1O,0.1668158918619156
+[O-]P(=O)=O.[Na+].[Na+],0.2588881850242615
+Cc1nsc(c1)N,0.9198926091194153
+Oc1nncc2c1cccc2,0.10223060846328735
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.7316337823867798
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.003011662047356367
+Clc1ccc(c(n1)C(=O)O)Cl,0.018246106803417206
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9878223538398743
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.9904967546463013
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.7084665298461914
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.9416707754135132
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.8452809453010559
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.018658023327589035
+CCOC(=O)CNC(=O)[C@H](Br)C,0.7385479807853699
+NC(=O)Nc1ccc(cc1)C,0.2266092598438263
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9548076391220093
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0.06590592861175537
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.007264989428222179
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.044644664973020554
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.15538965165615082
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,0.0015076989075168967
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.521896481513977
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.6908348202705383
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9414161443710327
+CCC(C)(C)C,0.08031019568443298
+CCCCCCCCCCCCCCCC(=O)O,0.022895175963640213
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.8380999565124512
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.021243035793304443
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.9055258631706238
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.7700619697570801
+ClCCOP(OCCCl)OCCCl,0.34826141595840454
+Nc1ccccc1S,0.6237369775772095
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.8617512583732605
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0.0023308424279093742
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.05484868213534355
+COc1cc(C=O)ccc1OC,0.1075124740600586
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.27351099252700806
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9869717359542847
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9177080988883972
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.033371951431035995
+COc1ccc(cc1)C=C,0.16978587210178375
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.9053927659988403
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.019441800191998482
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.016726162284612656
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9975944757461548
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.35499200224876404
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,2.9388329494395293e-05
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.09657791256904602
+Cn1c(N)nc2c1cc1cnccc1n2,0.4979483187198639
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.13231328129768372
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.0025394281838089228
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.060432661324739456
+CC(CCOC(=O)C)C,0.12297408282756805
+O=NN1CCC[C@@H](C1)O,0.9814446568489075
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.2581688463687897
+CC(C(C)C)C,0.2554788291454315
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.801167368888855
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.10286211967468262
+CN(N=O)CCCC,0.9658149480819702
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6167568564414978
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.0010623440612107515
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.19771666824817657
+ClC(Br)(Cl)Cl,0.3580676019191742
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9951400756835938
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.018241601064801216
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9753001928329468
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.13535454869270325
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.9976202249526978
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.8986151814460754
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.9778873324394226
+Clc1ccc(c(c1)C(=O)O)Cl,0.14515072107315063
+O=NN1CSCC1,0.600200355052948
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9258778691291809
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.9758857488632202
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.5078303217887878
+C/C(=C\C=O)/Cl,0.6584203839302063
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9986855387687683
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.04311845451593399
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9476701617240906
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.0051959846168756485
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8458030819892883
+Nc1cc2nc3ccccc3nc2cc1N,0.8505805134773254
+CC(N)C,0.17732851207256317
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9897639155387878
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9961004257202148
+N#CC1(O)CCCCC1,0.038690391927957535
+ClCc1c2ccccc2cc2c1cccc2,0.8531554937362671
+OC(=O)c1ccco1,0.041716016829013824
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.9452410936355591
+C=CC=O,0.5039718747138977
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.7981951236724854
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.7679605484008789
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.41264742612838745
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.9783878326416016
+ClCc1ccc(cc1)C,0.34810131788253784
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.07890095561742783
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.9263219833374023
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.029683882370591164
+CCCC[C@H](COCCCN)CC,0.04508382827043533
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.2984875738620758
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.5961706638336182
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.9389058947563171
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.06662986427545547
+CCCCCCCCCCCCN(N=O)C,0.9357351064682007
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.31652653217315674
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.958056628704071
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.7460963129997253
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8541985750198364
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.11185900866985321
+ClCC(Cl)Cl,0.568428099155426
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.009132334031164646
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.8727723956108093
+CN1CCC=C2C1CCc1c2nc(s1)N,0.32096990942955017
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.01678258553147316
+ClCC#N,0.2381431609392166
+C=Cc1ccc(cc1)N,0.3754357397556305
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.03917594999074936
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6092305183410645
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.04164513945579529
+CN(C(=S)SSC(=S)N(C)C)C,0.26010122895240784
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.049375735223293304
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.008574518375098705
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.9616057276725769
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.07618534564971924
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.6989721059799194
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.09385789930820465
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9882637858390808
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9965014457702637
+C1CCC2C(C1)c1ccccc1C=C2,0.6618475914001465
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.012433563359081745
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.97400963306427
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.011967610567808151
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.9472314715385437
+N#N=NCC(C(C(C(CO)O)O)O)O,0.9922829866409302
+[O-][N+](=O)CCO,0.3903915286064148
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9528651237487793
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8263656497001648
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.0019136971095576882
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.0015737877693027258
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.5645118951797485
+CCOP(=S)(SCCl)OCC,0.16084623336791992
+Oc1ccccc1c1ccccc1,0.5635513067245483
+Clc1nnc(c(c1)O)c1ccccc1,0.08643399178981781
+COc1cccc(c1O)C=O,0.08137232065200806
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.22801423072814941
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.0049752178601920605
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9408656358718872
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.22728583216667175
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.9384673833847046
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.35086482763290405
+Cc1ccccc1Cl,0.09315453469753265
+O=N#Cc1cc(C)cc(c1)C#N=O,0.21263487637043
+NC(=O)c1ccccc1C(F)(F)F,0.01352072972804308
+C/C=C/c1ccc(cc1OC)OC,0.792110025882721
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.9524590373039246
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9687102437019348
+C=CN=Nc1ccccc1,0.3466302454471588
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.0006174753652885556
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9854644536972046
+CCN(c1ccc(c(c1)O)N=O)CC,0.7153383493423462
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.979892909526825
+Oc1ccc(cc1)C(=O)O,0.06678099185228348
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9853752851486206
+OC/C(=C(/CO)\Br)/Br,0.5116499662399292
+NC(=O)Cc1cccc2c1cccc2,0.2642408311367035
+c1nccs1,0.589331328868866
+CC(=O)c1ccco1,0.1426946371793747
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.010213444009423256
+CSCNc1ccccc1,0.5387764573097229
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8955898284912109
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.8534409403800964
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9882991909980774
+N[C@H](C(=O)O)CS/C=C/Cl,0.9062522053718567
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9517574310302734
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.04439104348421097
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.01960866153240204
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.3017309606075287
+C[N+](Cc1ccccc1)(C)C,0.05128645896911621
+COC(=O)C1=CCCN(C1)N=O,0.8662330508232117
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.016708603128790855
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.113650843501091
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.9936662912368774
+ClCC(=O)Nc1c(CC)cccc1CC,0.7260736227035522
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9959318041801453
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9980922937393188
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.12172968685626984
+COP(=O)(SC)OC,0.3311789631843567
+Clc1cnc2c(c1)cccc2,0.19816996157169342
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.006762754172086716
+COC(=O)Nc1nc2c([nH]1)cccc2,0.24423475563526154
+O=C=Nc1ccc(c(c1)N=C=O)C,0.6034795045852661
+CCCCNCC,0.09306775033473969
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.01216249167919159
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9209812879562378
+Nc1ccccc1c1ccccc1.Cl,0.7719961404800415
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9654951095581055
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.006163186393678188
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.011172382161021233
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.0018354672938585281
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.191707044839859
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.05796840786933899
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.11214840412139893
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.9916297793388367
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.004093256779015064
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7857749462127686
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.7453834414482117
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.27715474367141724
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.028985407203435898
+N=C(NC(=N)N)NCCc1ccccc1,0.05695376545190811
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.9661737680435181
+COO,0.7800346612930298
+Nc1ncn[nH]1,0.05540343374013901
+Cc1ccc2c(c1)c(N)sn2,0.832516074180603
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9926111102104187
+NNc1nncc2c1cncc2,0.7108890414237976
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.02530115842819214
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.7012959122657776
+Fc1ccc2c(c1)c1ncccc1cc2,0.7761390805244446
+CC(=C)C(=O)OCCO,0.05819948762655258
+NC(=O)c1ccccc1,0.13177034258842468
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7114211320877075
+ClCC(C(=C)Cl)Cl,0.5357623100280762
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.5245925188064575
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9959022402763367
+Clc1cc(Cl)c2c(c1O)nccc2,0.3515426814556122
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.005356737412512302
+ClCC(CCl)Br,0.7122758626937866
+N#Cc1cccc2c1nccc2,0.24727396667003632
+O=C1CCCCCN1,0.15032193064689636
+CC(Cl)(Cl)C,0.2713194489479065
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.004279016517102718
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.5610754489898682
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.4537147581577301
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.14685344696044922
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.9860386848449707
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.9929572343826294
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.0011676214635372162
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.7859814167022705
+CNC(=O)N(C(=O)NC)O,0.40635961294174194
+O=CC1=CCCC2(C1(C=O)C2)C,0.6174390912055969
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.009011787362396717
+Clc1cccc(c1)Br,0.027440300211310387
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.06002964451909065
+Nc1c2ccccc2cc2c1cccc2,0.7371286153793335
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9842014312744141
+CCCCCCCCCCC,0.07653915882110596
+CCCN(CCC)CCC,0.07045136392116547
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.08260153234004974
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.07743668556213379
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.587119460105896
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.0029747800435870886
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.7389329075813293
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.005246820859611034
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6398653984069824
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8731980323791504
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.9716200828552246
+CC[n+]1c2ccccc2nc2c1cccc2,0.9448868036270142
+CC(=O)ON(c1ccccc1C)C(=O)C,0.9604681134223938
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.0016583751421421766
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.26338061690330505
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.9045626521110535
+O=NN(C(=O)C)C,0.9660220146179199
+CNC(=O)NC,0.4713767468929291
+CCOC(=O)C,0.39637938141822815
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.015238185413181782
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.033371951431035995
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.014742044731974602
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.0034172688610851765
+c1ccc2c(c1)[nH]cn2,0.3277852535247803
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.20887193083763123
+[O-]P([O-])[O-].[K+].[K+].[K+],0.18596772849559784
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.005523608066141605
+N#Cc1ccccc1C,0.07792183011770248
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.913644015789032
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.060672324150800705
+OC(=O)C(=O)O,0.22649884223937988
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.004928169306367636
+CN(C(=O)C#N)C,0.24455830454826355
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.0006270284065976739
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.14807985723018646
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.972603976726532
+OC(=O)Cc1ccccc1Cl,0.10741765797138214
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.0007423732313327491
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.017507174983620644
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.5852195024490356
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9356891512870789
+O=NN(Cc1ccccc1)Cc1ccccc1,0.8296241760253906
+CCCC(=O)OC1CCCCC1,0.05519021674990654
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9855489730834961
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.07774362713098526
+CN=C=O,0.12009880691766739
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9861066937446594
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9345456957817078
+CCCCCC(/C=C/C=O)O,0.5508700013160706
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.2030227929353714
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.006049768067896366
+OC(=O)O.N,0.043232280761003494
+CC(=O)C(=O)C,0.22716549038887024
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.38385921716690063
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.9940699338912964
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.9950822591781616
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.03514765575528145
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9446608424186707
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.9988304376602173
+CC/C=C/[C@H](C=O)CC,0.05909762904047966
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.008958165533840656
+FC(OC(C(Cl)F)(F)F)F,0.039210062474012375
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8709629774093628
+OCc1ccc(cc1)C,0.1104937195777893
+OCC1CC1,0.2540125846862793
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.7297168970108032
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.4574660658836365
+OCC(C(CO)O)O,0.5027128458023071
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.27794888615608215
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9841213226318359
+BrCCBr,0.6968139410018921
+N#Cc1cccc(c1)C,0.1379597932100296
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9884374737739563
+CC(=O)C,0.1849457323551178
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.01715151034295559
+O=NN1CCNC1=O,0.9922798275947571
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.9039667248725891
+COc1ccc(cc1)C1OC1C,0.662495493888855
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.5803273916244507
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.23056988418102264
+COC(=O)C,0.5642828345298767
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8682881593704224
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.14790701866149902
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.020874731242656708
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.20584888756275177
+C1C[N@@]2CC[N@]1CC2,0.26064929366111755
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.853618323802948
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.9634027481079102
+CCN(c1ccccc1)N,0.6111030578613281
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.018302949145436287
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.9624286890029907
+Nc1ccc2c(c1)oc1c2cccc1,0.7844439744949341
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.9249380230903625
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0002898474340327084
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.8084322214126587
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.06607277691364288
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9832242131233215
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.08242927491664886
+CC(=O)NNC(=O)c1ccccn1,0.3032000958919525
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.8996213674545288
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.0006698197103105485
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.17511917650699615
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.841910719871521
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.5055800676345825
+ONc1cccc2c1cccc2,0.9518437385559082
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9484285116195679
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.05095460265874863
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9568166732788086
+CCS(=O)CCSP(=O)(OC)OC,0.8520944714546204
+Clc1ccc(c(c1Cl)O)Cl,0.07711285352706909
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.0016077928012236953
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.44949421286582947
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.44189080595970154
+N#Cc1ccccc1C#N,0.15625867247581482
+OCCn1c(CO)ncc1[N+](=O)[O-],0.8748610615730286
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.6959108114242554
+O=Cc1ccccc1O,0.1323714554309845
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9138004183769226
+Cc1cc(C)c(cc1C)C,0.40663447976112366
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.0006270284065976739
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4279918670654297
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.8211584091186523
+CCOC(=O)c1cccc2c1nccc2,0.0789557695388794
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.721539318561554
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9778746366500854
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9847604036331177
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.04832718148827553
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.3498229384422302
+ClCCN([P@](=O)(O)N)CCCl,0.9873992800712585
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.015345816500484943
+OC(=O)/C=C/c1ccc(cc1)N,0.3845887780189514
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.13411541283130646
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.002659899415448308
+O=Nc1cccc(c1C)[N+](=O)[O-],0.9713037610054016
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9659044146537781
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0.11484606564044952
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.508203387260437
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.8444593548774719
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.7747505307197571
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.00996869895607233
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.8629752993583679
+ONC(=O)c1ccccc1,0.8914197683334351
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,0.01883653737604618
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9953476786613464
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.9663518667221069
+Nc1ccc(cc1)[N+](=O)[O-],0.9357311129570007
+COc1cc(C=O)ccc1O,0.13363471627235413
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.9887660145759583
+O=C/C(=C(/C(=O)O)\Br)/Br,0.5904461145401001
+CC(CCNc1snc2c1cccc2)C,0.12965252995491028
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4392738938331604
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.24137496948242188
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.3484024405479431
+c1ccc2c(c1)scn2,0.3517483174800873
+c1ccc2c(c1)cnc1c2cccc1,0.8169498443603516
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.5066457986831665
+CCCCCCCCCCCCCC(=O)O,0.022895175963640213
+O=NN1CCO[C@H](C1)O,0.9754797220230103
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.7707558870315552
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.00011102751886937767
+O=CC(=O)O,0.424618661403656
+CCCCN(C[C@@H](CCO)O)N=O,0.9482907056808472
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.06577849388122559
+OC(=O)c1ccc(cc1)C(=O)O,0.12321889400482178
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.2784956991672516
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.993787407875061
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.9866690635681152
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.013922731392085552
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.9954317808151245
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.29754066467285156
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9177080988883972
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0.00023844826500862837
+OCc1ccc(cc1)OC(=O)C,0.14489471912384033
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8220917582511902
+ON1CN(Cl)CN(C1)Cl,0.11588145792484283
+O(Cc1cccc2c1cccc2)CC1CO1,0.9847604036331177
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8242018818855286
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9819605946540833
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.010662774555385113
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.97821044921875
+CCCCCCCCCCCC(=O)O,0.022895175963640213
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.028486128896474838
+CCCCCCOC[C@H]1CO1,0.6071032881736755
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.022037822753190994
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.5177752375602722
+CC1=CC(=O)C(=CC1=O)C,0.13790014386177063
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8287773132324219
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.030409354716539383
+OC(=O)/C=C\C(=O)O,0.07265782356262207
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.02420414239168167
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.801167368888855
+Cc1ccc(c(c1)C)C,0.3411484956741333
+CCCCN(CCC)N=O,0.9671697616577148
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.02573114074766636
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.7964932918548584
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9103765487670898
+CNC(=O)NO,0.8507860898971558
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9924084544181824
+Cc1cc(=O)[nH]c(=S)[nH]1,0.052915871143341064
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.22728583216667175
+CCCCO,0.08609158545732498
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9551692008972168
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9956846237182617
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.03778829053044319
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8831496238708496
+Cc1c(C)cccc1C,0.24209937453269958
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.2882295846939087
+Cc1ccc2c(c1C)cccc2,0.5453642010688782
+ClCCCN(C)C,0.24581782519817352
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.9507772326469421
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.05685743689537048
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.010557959787547588
+COc1nsc2c1cc(OCC1CO1)cc2,0.98882657289505
+[CH2-][N+](=O)[O-],0.4837110638618469
+CCOC(C)(C)C,0.3717241585254669
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9898999929428101
+C=CCN(CC=C)N=O,0.9343191981315613
+CCCCCCCCCCCCO,0.04630061239004135
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.010856890119612217
+CCOc1ccc(cc1)[N+](=O)[O-],0.7605684995651245
+COc1c2ccc(=O)oc2cc2c1cco2,0.044070374220609665
+O=C1C=CC(=NC(=O)C)C=C1,0.13738922774791718
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.7391861081123352
+CNc1ccc(cc1)N=Nc1ccccc1,0.7104207277297974
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.1030338853597641
+OCCCCN(CCO)N=O,0.9915149807929993
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.2306450605392456
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9157642126083374
+O1OC2c3c(C1c1c2cccc1)cccc3,0.4288610816001892
+COc1ccc(cc1)O,0.3022325932979584
+CCCOC(=O)C(=C)C,0.016265464946627617
+CC(=O)Nc1snc2c1cccc2,0.38224488496780396
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.18653886020183563
+OCCN(CCO)C,0.16185766458511353
+ClCCSCCCl,0.9596870541572571
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8802719116210938
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.7469784617424011
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.019095445051789284
+ClCc1ccc(cc1)Cl,0.2736036479473114
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.0003703573311213404
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9432092905044556
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9237841367721558
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.0011202869936823845
+CCCCC/C=C/C=C/C=O,0.8423765897750854
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.02173549309372902
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,0.008373058401048183
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9368240237236023
+CN(c1ccncc1)C,0.31301748752593994
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9985727071762085
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.004288936965167522
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8876916766166687
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.9133990406990051
+Cc1ccnc2c1cccc2,0.1269136667251587
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.19775447249412537
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.007494556717574596
+OC(=O)CCCCCCCCC(=O)O,0.0747571811079979
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.8781052827835083
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.6752618551254272
+COc1cc(OC)nc(n1)N,0.08252028375864029
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9212581515312195
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.013290336355566978
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.016898203641176224
+N#CCc1ccccc1,0.20067501068115234
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.9827497601509094
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.01371435634791851
+CC(=O)Nc1ccc2c(c1)cccn2,0.6257545351982117
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.9972416162490845
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.791948676109314
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9961764216423035
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.7913098931312561
+Nc1ccc(cc1)Sc1ccccc1,0.8259571194648743
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.0033535328693687916
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.002475898712873459
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.18478286266326904
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.094980388879776
+C=CCCC(C=O)CC,0.07698564231395721
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9837031364440918
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.21230292320251465
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.9876632690429688
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9288746118545532
+Oc1cc(O)cc(c1)O.O.O,0.18451443314552307
+[O-][N+](=O)c1cnc(n1C)C,0.939673900604248
+COC(=O)c1ccccc1S(=O)(=O)N,0.011738823726773262
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.0007934820605441928
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.12750419974327087
+C=CCC[C@H]1CO1,0.7178872227668762
+CCCCCC[N+](=O)[O-],0.057261038571596146
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.933111310005188
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9292949438095093
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.9245163202285767
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.7967185974121094
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.10696141421794891
+OCc1ccc(cc1)C(F)(F)F,0.03232970088720322
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9297456741333008
+Cc1c(NC)ccc2c1nccn2,0.8932245373725891
+COc1c2cc(OC)ccc2nc2c1cco2,0.7779641151428223
+ONc1cccc(c1C)C,0.8674433827400208
+C[C@@H]1CNC[C@H](O1)C,0.22111979126930237
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7271046042442322
+C1CCNC(=O)N1N=O,0.9919816851615906
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.020324300974607468
+ClC(Cl)Cl,0.3582065999507904
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6114009618759155
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.9115473031997681
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8688000440597534
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.012123160995543003
+CCCCC/C(=C/c1ccccc1)/C=O,0.06066124886274338
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7307153940200806
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0.10107766091823578
+CC(COS(=O)(=O)C)C,0.9178211092948914
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.9029299020767212
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.14240947365760803
+C1CNCCO1,0.17725658416748047
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.15501800179481506
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.0009914672700688243
+NC(=O)O[C@H]1CO1,0.7725427746772766
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.10243179649114609
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.4747496545314789
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.9516546130180359
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.01577085815370083
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5058910250663757
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.8418365716934204
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.04715114086866379
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.41801127791404724
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.7453834414482117
+CC/C=C/C=C/C=C/C=C/C=O,0.9609515070915222
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.02574966475367546
+COC(=O)COc1ccc(cc1Cl)Cl,0.06733138859272003
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.00767101813107729
+COC(=O)c1ccc(cc1)C=O,0.054374463856220245
+C1CCCO1,0.21824213862419128
+NNc1nncc2c1cccn2,0.7828256487846375
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.8879785537719727
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.6984955072402954
+Oc1ccc(cc1)c1ccccc1,0.3133091926574707
+Cl[Si](Cl)(Cl)Cl,0.35895487666130066
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9764708280563354
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8922999501228333
+CCOC(=O)OCC,0.06119988113641739
+CNC,0.1941618025302887
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.41662779450416565
+[O-][n+]1cccc2c1C1OC1C=C2,0.7584848403930664
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.761750340461731
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.03663124889135361
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.003987287636846304
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9941079020500183
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.003382295835763216
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9827032089233398
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.09058025479316711
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.7028180360794067
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.0940481573343277
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.004267697222530842
+CC(CN1CC(OC1=O)C)O,0.11947164684534073
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.7189443111419678
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.9495793581008911
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.9175826907157898
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.6075180172920227
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.21650905907154083
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.013045375235378742
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.9892714619636536
+CCC(=O)C(=O)CC,0.26213279366493225
+OC(=O)CCP(=O)(O)C,0.026702266186475754
+ONc1ccc2-c3c(Cc2c1)cccc3,0.949633777141571
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.915176272392273
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.496429443359375
+OC(=O)c1ccccc1S(=O)(=O)N,0.007735759019851685
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9955577850341797
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.03904201090335846
+FC(c1ccc(cc1)Cl)(F)F,0.04409341886639595
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9689971804618835
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.9939242601394653
+Cl[C@H](C#N)Br,0.23774926364421844
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9639512300491333
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.3554021418094635
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.1795710027217865
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.994688868522644
+CO,0.3572778105735779
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.5792093276977539
+[O-][N+](=O)c1cccc2c1nccc2,0.8988465070724487
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.025809118524193764
+CCOc1ccccc1C(=O)N,0.2208089381456375
+O=NN(c1ccccc1)O,0.535547137260437
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.6813372373580933
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.01179816946387291
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8867691159248352
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.6108335256576538
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.07156547158956528
+CNC(=O)ONC(=O)C,0.6386799812316895
+CC(C(C)(C)C)OP(=O)(F)C,0.01049555279314518
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9877910614013672
+CC(CNCC(C)C)C,0.0649271160364151
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.8326359987258911
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.11391717195510864
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.63173508644104
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9188094139099121
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.025272537022829056
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.029875943437218666
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.03140337020158768
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.030178124085068703
+O=C/C(=C(/C(=O)O)\Cl)/C,0.7037331461906433
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.6025694608688354
+Cn1c(N)nc2c1cc1ncccc1n2,0.9344502687454224
+Cl/C=C(/C(Cl)Cl)\Cl,0.9648057818412781
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.0026242928579449654
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9177080988883972
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.09918328374624252
+C1CCCCC1,0.22227387130260468
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6461499929428101
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9330018162727356
+O=Nc1ncn(c1c1ccccc1)C,0.8396398425102234
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.02075938507914543
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9582619667053223
+O=c1ccc2c(o1)cccc2,0.17102748155593872
+Nc1ccc(c(c1)Cl)C.Cl,0.5028222799301147
+OCCOC(=O)C=C,0.05194420740008354
+ClC(C(Cl)Cl)Cl,0.34216049313545227
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.9831382632255554
+OC(=O)C(Cl)(Cl)Cl,0.18139466643333435
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.001078043133020401
+CC(=O)NO,0.8855401277542114
+Cc1ccccc1C,0.29183685779571533
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.02959253266453743
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.8206618428230286
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.08028107136487961
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.9973142743110657
+CN(CC[C@@H](N(C)C)C)C,0.06080394238233566
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.11113011837005615
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.4492259919643402
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.08121701329946518
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.39592114090919495
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.42176952958106995
+c1ccco1,0.2277812510728836
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.1246776357293129
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5973080396652222
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7920043468475342
+Oc1ccc(c(c1)C)Cl,0.07056698948144913
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.9945863485336304
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.8662626147270203
+CCCC[C@H](COCCC#N)CC,0.02288571186363697
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.9829748868942261
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.47258585691452026
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.09699025005102158
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.13827382028102875
+CC(=C)C,0.32907840609550476
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.9943572878837585
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.01723361387848854
+OC[C@@H](CCl)O,0.4354446530342102
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.9911482930183411
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.14979955554008484
+OCCSN=O,0.6606861352920532
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.5100370645523071
+ClCCNc1ccc(cc1)C,0.9261695742607117
+Nc1ccc(cc1)C(=O)N,0.5044822692871094
+Sc1ccccc1,0.4162819981575012
+CCOS(=O)(=O)C,0.9858201742172241
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.9972496032714844
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7283509373664856
+CCCCCCCCCCCCOC[C@@H]1OC1,0.6071032881736755
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.0208284892141819
+CCNc1nc(N)nc(n1)Cl,0.018549511209130287
+COC1=CC(=O)C=CC1=O,0.13376176357269287
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.1775396317243576
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5480232238769531
+CCCCSCCC(C(=O)O)N,0.09170161187648773
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.6329800486564636
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.9705425500869751
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.9504467248916626
+CCOc1nc(NC)nc(n1)N,0.013561850413680077
+Nc1c2ccccc2nc2c1cccc2,0.7891647219657898
+O1CCOCCOCCOCCOCC1,0.377260684967041
+C=CC(=O)OCCN(C)C,0.15423157811164856
+CCCCN(CC)CC,0.10256969928741455
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9996927380561829
+CCC(=O)C=C,0.1395304799079895
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.002953513991087675
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.013479064218699932
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.00035129545722156763
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.5930402278900146
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9969884753227234
+O=Cc1cccc(c1)Cl,0.0744340643286705
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9837031364440918
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8955528140068054
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.1317608654499054
+ClC(=O)C(Cl)Cl,0.934296727180481
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.002656142693012953
+[O-][n+]1ncc2c(c1)cccc2,0.07830871641635895
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.17622940242290497
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.6474493741989136
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.03242177516222
+NCCc1c[nH]c2c1cccc2.Cl,0.4372757375240326
+OC(=O)C(Cn1cncc1)N,0.13898001611232758
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.004482821095734835
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7867012023925781
+COc1ccc(cc1)CNC(=O)C(Br)C,0.9870222806930542
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8716385960578918
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.6456037163734436
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.012044170871376991
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.6447272896766663
+COc1ccccc1C[C@H]1CO1,0.9675103425979614
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9477874040603638
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.9646782875061035
+CNC(=O)Oc1cccc2c1cccc2,0.46295276284217834
+CC(C(=O)NCc1ccccc1)Cl,0.7630424499511719
+CCC(OC)(C)C,0.2324083298444748
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3481856882572174
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9871578216552734
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.1105177253484726
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.5480931997299194
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8577085733413696
+c1ccc2c(c1)ccc1c2nccc1,0.6505519151687622
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.04218117520213127
+CC(O)C,0.21306180953979492
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.23056988418102264
+c1ccc2c(c1)occ2,0.11393757164478302
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6310185194015503
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.04110182076692581
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.9447734951972961
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.35443657636642456
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.008282020688056946
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9865442514419556
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.007491461932659149
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.8504454493522644
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.7745414972305298
+Cc1ccc(cc1)CC[C@@H]1OC1,0.8464378118515015
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.04229273274540901
+CC(C[C@H](N)C)C,0.0512414388358593
+BrCCOC(=O)C(=O)OCCBr,0.9388747215270996
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9360442161560059
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.002104474464431405
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.9361729621887207
+BrCC(CBr)Cl,0.8250735998153687
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.19461965560913086
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.2825237214565277
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.025351891294121742
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.9776412844657898
+O=CC(=C(Cl)Cl)Cl,0.8872653841972351
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.8362234830856323
+ClC(C[C@@H]1OC1)(Cl)Cl,0.8193821907043457
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.7304579019546509
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.318213552236557
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.018323099240660667
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.004351578652858734
+CBr,0.3593687415122986
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.22801423072814941
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.999380886554718
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.005523608066141605
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.8223555684089661
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.004524023272097111
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.008439548313617706
+O=NN(Cc1ccccc1)C,0.8462823629379272
+O=C1C(=O)c2c3c1cccc3ccc2,0.6592126488685608
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.5499682426452637
+COc1ccccc1[N+](=O)[O-],0.6520780324935913
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.8830127716064453
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9386917948722839
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.03418758511543274
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.938585638999939
+CCCCCCC(=O)O,0.022895175963640213
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.03293440863490105
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.47859930992126465
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.93531733751297
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.008065996691584587
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.21386511623859406
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.39089468121528625
+Cc1c2ccccc2cc2c1cccc2,0.8365710377693176
+COc1ccccc1N.Cl,0.8821242451667786
+[O-][N+](=O)c1cccc(c1C)C,0.5083732008934021
+CCC(c1ccc(cc1)O)(C)C,0.01917751505970955
+CN(/N=N/c1ccc(cc1)Br)C,0.6916751265525818
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.9682875871658325
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.9655427932739258
+Clc1ccc2c(c1)c(N)sn2,0.8123763799667358
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.49822473526000977
+N1CC1,0.22750680148601532
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.025609273463487625
+CC(CN(CC(C)C)N)C,0.0646633580327034
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.2841716408729553
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.9690243601799011
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.0021374255884438753
+ClCC[N+](CCCl)(C)[O-],0.8093259930610657
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.12745508551597595
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.038749150931835175
+Nc1[nH]cc2-c(n1)ncn2,0.10521628707647324
+Fc1ccc2c(c1)nccc2,0.647117018699646
+N#Cc1cccc(c1)C#N,0.27903637290000916
+Fc1cc2cccnc2c(c1)F,0.9542984962463379
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7917370796203613
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.03507130593061447
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9966443181037903
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.9808666110038757
+FC(=C)F,0.2087182253599167
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.01497647725045681
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.0432925708591938
+Oc1cccc(c1)[N+](=O)[O-],0.7622316479682922
+c1ccc2-c3ncsc3CCc2n1,0.8479730486869812
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.9449490308761597
+O=NN1CCCCC1,0.9786205291748047
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.14897596836090088
+C=Cc1ccncc1,0.06615009158849716
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.38580697774887085
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.07279942184686661
+Oc1ccc(cc1)c1ccc(cc1)O,0.4032554626464844
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.004411901347339153
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.14265254139900208
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.0020621989388018847
+CC(CON=O)C,0.8588320016860962
+CC[C@H](c1ccccc1O)C,0.040981512516736984
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.993990421295166
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.24130579829216003
+ClC(=O)Cc1ccccc1,0.6915298104286194
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.10484828799962997
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.6181192994117737
+Nn1nnc2-c(c1O)nc1c2cccc1,0.48028483986854553
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.012973412871360779
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.9730564951896667
+OCCCCO,0.2657967209815979
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.3357907831668854
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.7976242899894714
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.6596096754074097
+BrCC1=C(Cl)C(=O)OC1,0.9748867154121399
+CC[P@](=S)(Sc1ccccc1)OCC,0.13079486787319183
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.05655878037214279
+ClCCN(c1ccc(cc1)C)CCCl,0.8363425135612488
+ClCCP(=O)(O)O,0.26243487000465393
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.0318898931145668
+Cc1cc(C)c(c(c1N)C)N,0.7862239480018616
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9054238200187683
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.9939547777175903
+O=C1C=Cc2c3c1cccc3ccc2,0.8915382623672485
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5016525387763977
+CNC(=S)N(C)C,0.09083298593759537
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.9828437566757202
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.02325982041656971
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9967181086540222
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.12747186422348022
+O=CC=O,0.542345404624939
+Cc1ccc(c(c1)O)C,0.1595010757446289
+COc1cc(N)ccc1NC(=O)C,0.7103649973869324
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7195976972579956
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.9178813695907593
+CC(=O)NNc1ccccc1,0.9437538385391235
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.7786483764648438
+Clc1cccc2c1oc1c2cccc1,0.42166680097579956
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.8996618390083313
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.7342454791069031
+C=CC(=O)OCCOCCOC(=O)C=C,0.09411942213773727
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.08697614818811417
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.11145778745412827
+CCCCOS(=O)(=O)C,0.967898964881897
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8776127696037292
+NC(=O)N/N=C/C(=O)O,0.29681235551834106
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.03504219651222229
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.0036830876488238573
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.976473331451416
+C=C[C@@](CCC=C(C)C)(O)C,0.06999142467975616
+OCCN(C(=O)N)N=O,0.972169041633606
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.031955257058143616
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.8910013437271118
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.6221668124198914
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.5550039410591125
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5309963822364807
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.024522963911294937
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.8867365717887878
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.4382215440273285
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.19352290034294128
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.877092719078064
+Nc1ccc(c(c1)C)N,0.8036788702011108
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.23841139674186707
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.16237595677375793
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.017131268978118896
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.7276327013969421
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.05867747589945793
+CN(N=Nc1ccc(cc1)Cl)C,0.8125497102737427
+CC(Cc1nccs1)C,0.41025805473327637
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.05653827264904976
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.000960144679993391
+OC(=O)c1cc2ccccc2cc1O,0.3131607174873352
+Oc1ncnc(c1)O,0.06855480372905731
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.6571399569511414
+Nc1cccc(c1)S(=O)(=O)O,0.07748939841985703
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9649695158004761
+OC/C=C(/CCC=C(C)C)\C,0.01374466996639967
+O=CC(=O)c1ccccc1,0.20832812786102295
+CNc1snc2c1cccc2,0.20084814727306366
+Cc1ccccc1c1nc2c(o1)cccc2,0.12278473377227783
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.04094724357128143
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.985203742980957
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6657902002334595
+[O-][n+]1cccc2c1c(O)ccc2,0.4369407296180725
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.0047834631986916065
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8634070158004761
+C[Si](O)(C)C,0.2109086811542511
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.12917473912239075
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.9623672366142273
+Nc1cccc2c1ccc1c2cccc1,0.9165329933166504
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.842668354511261
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.5783154368400574
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8987663388252258
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.7687427997589111
+Fc1ccccc1c1ccccc1,0.7938510775566101
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.9489391446113586
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.8915193676948547
+CNC(=O)CSP(=S)(OC)OC,0.3784404695034027
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.9708755612373352
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.022525344043970108
+Nc1ccc(cc1C)S(=O)(=O)O,0.5594860911369324
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.6982263922691345
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.12465828657150269
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.9700968861579895
+CC(=O)Cl,0.8269303441047668
+CCCCCl,0.2687487006187439
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.08065835386514664
+ClSC(Cl)(Cl)Cl,0.49156245589256287
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9986287951469421
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.01105931680649519
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.5813925266265869
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.06995292752981186
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,9.567219240125269e-05
+Clc1c(Cl)cccc1Cl,0.06894679367542267
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.8340654373168945
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.7592331767082214
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.08234796673059464
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6494140625
+CCC(=O)Nc1snc2c1cc(C)cc2,0.20840826630592346
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.720737636089325
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.012570011429488659
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.017666134983301163
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.07389543950557709
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.04191139340400696
+CC(F)(F)F,0.15403014421463013
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.14556795358657837
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.7407646179199219
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8406718969345093
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.789185106754303
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.5966405868530273
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.9459319114685059
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.012643474154174328
+c1ncn[nH]1,0.13257448375225067
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.04022196680307388
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.9447379112243652
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9967256784439087
+Fc1ccccn1,0.05966299772262573
+COP(=O)(OC)O,0.5221855044364929
+CCCCCCN(C(=O)N)N=O,0.8843203783035278
+Clc1cc(Cl)c(cc1O)Cl,0.017862435430288315
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9522736668586731
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.07387743890285492
+C[C@H](c1ccccc1)O,0.10035733878612518
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.003261719597503543
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.06182654947042465
+NCP(=O)(O)O,0.13697783648967743
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.00470800930634141
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9949532747268677
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.001467139576561749
+C/C=C(\C=O)/Cl,0.929057776927948
+[O-][N+](=O)c1ccccc1c1ccccc1,0.9666093587875366
+OC1OC(=O)C=C1CCl,0.9722743034362793
+CCCCOC(=O)C(=C)C,0.013893425464630127
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.9656117558479309
+C1CCc2c(C1)cccc2,0.25559210777282715
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.3792281746864319
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9644338488578796
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.9431009292602539
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.010279813781380653
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.005167301744222641
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.010839683935046196
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.0070515102706849575
+Cc1cccc(c1)Br,0.04016827791929245
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9910176992416382
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.9147660136222839
+c1ccccc1,0.2882387042045593
+C=CC=C,0.10765428841114044
+COc1cc(=O)[nH]c(=O)[nH]1,0.1875787228345871
+CC1=CC1,0.06408127397298813
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9749323129653931
+COc1cc(N)cc(c1N)OC,0.900394082069397
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8335543870925903
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9960576891899109
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.10730893909931183
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.07641619443893433
+NNCCO,0.323507696390152
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.0020582471042871475
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.029425546526908875
+Fc1cccc2c1nccc2,0.8609590530395508
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.7561715841293335
+N#CCCCCC#N,0.18344943225383759
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.8810717463493347
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.021916188299655914
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.0491977334022522
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.025222470983862877
+COS(=O)(=O)OC,0.8011717796325684
+CCCCCCC=C,0.05549510568380356
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9959020614624023
+CO/N=C(\c1ccccc1CO)/C(=O)NC,0.013318277895450592
+O=C1CCCCC1=O,0.20072674751281738
+Oc1ccc(cc1)O,0.22329242527484894
+C1CC2=CC3C(C=C(C1)O2)O3,0.12477777153253555
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.003522667335346341
+OCC1CCCO1,0.4675412178039551
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.3974664509296417
+O=C(c1ccccc1O)OCc1ccccc1,0.24701054394245148
+O=Nc1cccc(c1)C,0.9154161214828491
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.08330747485160828
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.9920024871826172
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.8934530019760132
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7315300107002258
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.02307950332760811
+CN(C[C@@H](Cl)C)C,0.5633841753005981
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8848074674606323
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.1894349604845047
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.9299411773681641
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.8054729700088501
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.42849093675613403
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.4806767404079437
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9611564874649048
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9989937543869019
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.9826690554618835
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9822403788566589
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00019807663920801133
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.9060623049736023
+CCO[Si](OCC)(OCC)C,0.2068677842617035
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9165472984313965
+CC(Br)C,0.6893959045410156
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.4973132610321045
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.999566912651062
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.8549230694770813
+COC(=O)c1sccc1S(=O)(=O)N,0.011458327993750572
+CC(COS(=O)(=O)c1ccccc1)C,0.23348455131053925
+Oc1ccc2c(c1)nc([nH]2)N,0.19092443585395813
+[O-][N+](=O)c1cccc2c1snc2,0.9231849908828735
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.03365205600857735
+CCc1ccco1,0.09073194116353989
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.9116252660751343
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.0435512401163578
+COC(=O)c1ccccc1NC,0.1663093864917755
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7751449942588806
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.7389808893203735
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.1580483615398407
+COc1ccc(cc1)CC1OC1,0.9826328158378601
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9001668095588684
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.9541429281234741
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.9707466959953308
+COCCOCCO,0.19420741498470306
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.24777957797050476
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5016525387763977
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.9768317341804504
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.1737867295742035
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.2597198188304901
+Nc1ccc2c(n1)no[n+]2[O-],0.7888144254684448
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9967811703681946
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8693240284919739
+OCc1ccc(cc1)C#N,0.09419102966785431
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.022147629410028458
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.038576457649469376
+O=NN(C(=O)c1c(NC)ncn1C)C,0.9845317006111145
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.08743293583393097
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.4786195158958435
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3016663193702698
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.13022886216640472
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9964280128479004
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.00592630822211504
+NC(C(=O)O)C(C)C,0.16275101900100708
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.05658736079931259
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0022862153127789497
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.9907930493354797
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.5190365314483643
+Cc1cccc(c1)C(=O)O,0.08165369927883148
+CCOc1nc(N)nc(n1)N,0.013480762019753456
+CCCCCCCCCCCCOS(=O)(=O)O,0.09852027893066406
+OC[C@H]1CO1,0.9591912031173706
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.5031665563583374
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.948265552520752
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9962242245674133
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.7577824592590332
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.09561847150325775
+OC(=O)c1ccccc1O.[Na+],0.06629373133182526
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.017897406592965126
+ClCc1ccc(cc1)CCl,0.4546605944633484
+CCCCOCCOCCO,0.05111421272158623
+Cc1ccc(cc1)NN=NCc1ccccc1,0.842639148235321
+CC1=CC[C@H](CC1)C(=C)C,0.00957382284104824
+CCN(CC)CC,0.3625677525997162
+OC/C=C(\CCC=C(C)C)/C,0.01374466996639967
+CCCCCC,0.07254298031330109
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9861475229263306
+CN(C(=O)Cl)C,0.2899552881717682
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.6006251573562622
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.19126774370670319
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.5950391888618469
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9554600715637207
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.19849230349063873
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.0495462641119957
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.9880741238594055
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.4963790476322174
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.923714280128479
+CCCCOC(=O)c1ccc(cc1)O,0.0052142394706606865
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.005179391708225012
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.04762863367795944
+CNc1ccccc1,0.5965814590454102
+C1CCC2C(C1)c1ccccc1C1C2O1,0.026215553283691406
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9744865298271179
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.005873743444681168
+OC1=CC(=O)C1=O.[Na+],0.03706362098455429
+Sc1nc2c([nH]1)cccc2,0.2552701532840729
+Nc1ccnc2c1cccc2,0.8687454462051392
+CCCCCOC(=O)C(=C)C,0.0065320334397256374
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.011566540226340294
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.3016663193702698
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.8256078958511353
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.07155764102935791
+CCO[P@@](=O)(N(C)C)C#N,0.036325789988040924
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.001674414030276239
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9966974258422852
+[N-]=[N+]=NC[C@@H](CO)O,0.9657295942306519
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.30022796988487244
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.8316388130187988
+OC(=O)CI,0.12162820249795914
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.5839740037918091
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.19547399878501892
+Cc1ccc(cc1)[N+](=O)[O-],0.7834423780441284
+COc1nsc2c1cccc2[N+](=O)[O-],0.9740380048751831
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9742418527603149
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.00648821797221899
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.01635299250483513
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.7274056077003479
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9860167503356934
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.06942865997552872
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.9207965135574341
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.0019535685423761606
+[O-]Cl.[Na+],0.260318398475647
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.8949260711669922
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8979083895683289
+O[C@@H]([C@H]1CO1)CO,0.8908659815788269
+C/C=C\C=O,0.7894557118415833
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.11736258119344711
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.4607311189174652
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.004333423916250467
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9917160272598267
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.020341355353593826
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7342454791069031
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.015297532081604004
+Nc1ncnc2c1nc[nH]2,0.5351945161819458
+Clc1ccc(c(c1)C)N,0.7018874287605286
+OCC(=O)O,0.14924336969852448
+O=NN(Cc1ccc(cc1)F)C,0.8780136108398438
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9904152750968933
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.017830170691013336
+CC(=O)Nc1ccc(c(c1)N)C,0.896406352519989
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.042402710765600204
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6665772199630737
+OC(=O)C(CCS(=O)(=N)C)N,0.028041282668709755
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.7823360562324524
+CC(=O)C(=C)C,0.7647590637207031
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9534649848937988
+CSCNc1ccccc1OC,0.6378324627876282
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9980837106704712
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.0916023999452591
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9037593603134155
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7852857112884521
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.9106146097183228
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.1544666588306427
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8010877370834351
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.07587037980556488
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.0237080380320549
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.21008816361427307
+Oc1ccc(c(c1)Cl)Cl,0.05329616740345955
+CNc1ccccc1N,0.5193036794662476
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.4786195158958435
+Clc1ccc(c(c1)Cl)C(=O)O,0.08182688057422638
+COC(=O)c1ccc(cc1)C,0.12642914056777954
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.5953776240348816
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.7283839583396912
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.01454167254269123
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9861475229263306
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.060849398374557495
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.9640763401985168
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9951146245002747
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.018029415979981422
+OCNC(=O)c1ccc(cc1)Cl,0.08785875141620636
+CC[C@H]([N+](=O)[O-])CO,0.2602759599685669
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5122707486152649
+OCC=O,0.4372783303260803
+CCCCNCCCC,0.15680186450481415
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.9153355360031128
+OC1CCCCC1,0.09718173742294312
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.03682323172688484
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.13842162489891052
+C/C(=N/O)/C(=O)C,0.12562412023544312
+CCCCON=O,0.9396077394485474
+OC1CC=Cc2c1nccc2,0.3395543098449707
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.45869874954223633
+Cc1ccccc1c1ccccc1,0.5681890249252319
+COCC(=O)Nc1c(C)cccc1C,0.35189494490623474
+CCC/N=N/O.[K+],0.9287183880805969
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.060012806206941605
+CC(=O)C(Cl)(Cl)Cl,0.2994003891944885
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.39362454414367676
+Fc1cc2ccccc2c2c1cccn2,0.8831742405891418
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9506141543388367
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.12060551345348358
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9708264470100403
+OC[C@@H](CBr)Br,0.9062076807022095
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.932744026184082
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.024119574576616287
+O1C[C@@H]1c1ccccc1,0.7272948026657104
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.8932818174362183
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9804790616035461
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.9682507514953613
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.9586230516433716
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7121015787124634
+NCC(=O)O.Cl,0.06128634884953499
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.9498214721679688
+OCCCN(N=O)CC,0.9873275756835938
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.31823861598968506
+CCCC[C@H](C=O)CC,0.04154764860868454
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.08770023286342621
+Nc1cccc2c1cc1ccccc1n2,0.9784661531448364
+CNCCCN1c2ccccc2CCc2c1cccc2,0.04799468070268631
+OCC(C(C(C(C(=O)O)O)O)O)O,0.14669467508792877
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.764315128326416
+Nc1cccc2c1c(N)ccc2,0.8140536546707153
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9188672304153442
+CCC#N,0.24269840121269226
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.029186010360717773
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9146223068237305
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.8749529123306274
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9960362315177917
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.05420877784490585
+Nc1ccc(cc1)c1ccccc1C,0.8743611574172974
+COc1nsc2c1ccc(c2)OCC1CO1,0.9985437393188477
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.889360785484314
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.054360531270504
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.9898349642753601
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.8522405624389648
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.031447529792785645
+CCCCN(CCCO)N=O,0.9486032724380493
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.9797821044921875
+CC[C@H](N)C,0.057240016758441925
+Nc1cccc(c1)O,0.6248111724853516
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9964655041694641
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.6423909664154053
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.789849042892456
+NCCNCCNCCNCCN,0.49186840653419495
+NC=O,0.36908525228500366
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.04824696108698845
+CCCCCCCCCCOC(=O)C(=C)C,0.0065320334397256374
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8800477981567383
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.5455001592636108
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.7290815114974976
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.21692171692848206
+O=C1C=CC(=O)C=C1c1ccccc1,0.28889352083206177
+C/C=C/C=C/C(=O)O.[K+],0.060276735574007034
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.11721020936965942
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.5877813696861267
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.8003042340278625
+CCSCCOP(=S)(OCC)OCC,0.005528976209461689
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9966360330581665
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.012107141315937042
+CCCOS(=O)(=O)C,0.9662989377975464
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9901453256607056
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.045944564044475555
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.957901656627655
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.9628949165344238
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.02480071596801281
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.5819091200828552
+O(Cc1ccccc1)Cc1ccccc1,0.5516387820243835
+CCN(c1ccccc1)Cc1ccccc1,0.48192739486694336
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.8926889300346375
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.012760080397129059
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.9644128680229187
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.3207133114337921
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9567438960075378
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.4231197237968445
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.7805312871932983
+Cc1cscc1,0.3768981993198395
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.7632583379745483
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.0021094060502946377
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.03681445121765137
+COCCOC(=O)C,0.5807529091835022
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.13279440999031067
+CN(C#N)C,0.6498540043830872
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.08137955516576767
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.7200823426246643
+N#CCc1ccc(cc1)Cl,0.1051463931798935
+CC12OOC1Oc1c2cccc1,0.5279966592788696
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.0027983332984149456
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.6114640235900879
+O=NN1CCN(CC1)C,0.8773012161254883
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.6925449371337891
+C[C@@H](c1ccccc1)N(C)C,0.054001372307538986
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.10461197793483734
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.011664791032671928
+[O-]P(=O)([O-])[O-].[Fe+3],0.4187294542789459
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8549440503120422
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.8931481242179871
+O=C1CSC(=S)N1,0.6119333505630493
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.05197649449110031
+Clc1ccc(c(c1)N)C,0.686735987663269
+CC(COC(=O)Cc1ccccc1)C,0.025616174563765526
+O=C(c1ccccc1)C(=O)C,0.17284859716892242
+Fc1c[nH]c(=O)[nH]c1=O,0.025945376604795456
+CCCCC1CO1,0.3523084819316864
+BrCc1ccc(cc1)CBr,0.34775033593177795
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.6174643039703369
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.940283477306366
+N#N=NCc1ccccc1,0.9379650950431824
+O=NN1CSCC1C(=O)O,0.4724133014678955
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9084538221359253
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.4939729571342468
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0012250940781086683
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.989643394947052
+CC(C1=CC(=O)C(=CC1=O)C)C,0.08371807634830475
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.10093694925308228
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.09165285527706146
+O=NN(Cc1ccc(cc1)Cl)C,0.7443857192993164
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.9174107313156128
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.01537796575576067
+O=C1c2ccccc2CCc2c1cccc2,0.632724404335022
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.020693982020020485
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.07616015523672104
+CC(=O)Nc1ccccc1C,0.12937381863594055
+O=C1C=C(O)c2c(C1=O)cccc2,0.8429387211799622
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.9912282228469849
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.10600459575653076
+Nc1ccc(c(c1Cl)Cl)Cl,0.2317010909318924
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.9925596117973328
+CC(=O)c1ccncc1,0.11473210901021957
+Cc1nc2c(s1)cccc2,0.28616735339164734
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.11173045635223389
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.8760067820549011
+BrC(C1=C(Cl)C(=O)OC1)Br,0.980995774269104
+Cc1cc2ncccc2c2c1n(C)cn2,0.9215777516365051
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.9850727319717407
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.9839785695075989
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9747171401977539
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.0241986233741045
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.9408733248710632
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.9840545654296875
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.03452706336975098
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8709584474563599
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.03403466194868088
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.8476816415786743
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9935181736946106
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.01687127724289894
+OC(=O)[C@H](O)C,0.1197529211640358
+OC(=O)C(Cl)(Cl)C,0.19171088933944702
+CCCC,0.14354319870471954
+ONc1ccc2c(c1)cccc2,0.8363149762153625
+Fc1cnc2c(c1)cccc2,0.32118919491767883
+Oc1ccc2c(c1)cccn2,0.5733606815338135
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9803560376167297
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.005995229817926884
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.0034044478088617325
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8787212371826172
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.00544587429612875
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.08570697158575058
+OCC(Cl)Cl,0.17380058765411377
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.021413305774331093
+O=NN(Cc1ccc(cc1)Br)C,0.5178037285804749
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.002676198957487941
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.00893328431993723
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.8606971502304077
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.3508922755718231
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.7213284969329834
+Clc1nncc2c1ccnc2,0.05349123477935791
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.9357069134712219
+C=C[Si](Cl)(Cl)C,0.2685108482837677
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6944078207015991
+CC(COC(=O)C(=C)C#N)C,0.18311980366706848
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4546165466308594
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.8996520042419434
+Cc1cc(N)cc(c1)N,0.6880818605422974
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.10300566256046295
+ClC=C(Cl)Cl,0.7254148721694946
+O1CC1Oc1ccccc1,0.21382859349250793
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.8996520042419434
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.11423029750585556
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.944510817527771
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.12319491058588028
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9988733530044556
+CCOC(=O)C=C,0.05316790193319321
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9868839383125305
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.17698273062705994
+OCC(COP(=O)(O)O)O,0.022214986383914948
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.05131186172366142
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.5531815886497498
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7790473699569702
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9606191515922546
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.9261951446533203
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8588966131210327
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.0004465458041522652
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9883769750595093
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9693418741226196
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5270568132400513
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.23445340991020203
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.9601085782051086
+Clc1ccc(cn1)Cl,0.01657182350754738
+CC(S(=O)(=O)Cl)C,0.32943132519721985
+OCCCCN(N=O)C,0.9882456064224243
+c1ccc2c(c1)cccc2,0.4876798093318939
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.015044711530208588
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.9887368083000183
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.982648491859436
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.005985240451991558
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.026409870013594627
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.7292758226394653
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.12236102670431137
+C=C[C@H]1CO1,0.8015400767326355
+OC(=O)/C=C/c1c[nH]cn1,0.13423249125480652
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.006330970674753189
+Oc1ccc2c(c1)oc(=O)cc2C,0.08422689139842987
+S1CC1,0.4705894887447357
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9394270181655884
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.8924271464347839
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.04029228165745735
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0006620098138228059
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.9532281160354614
+c1ccc2c(c1)[nH]c1c2ccnc1,0.5124020576477051
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.010205909609794617
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.13694579899311066
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.848983645439148
+OC[C@H]([C@H](CO)O)O,0.4503607153892517
+C[C@@H]1O[C@@H]1C,0.4393042027950287
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.0010882429778575897
+OC(=O)Cc1c[nH]c2c1cccc2,0.11613763868808746
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.9848424792289734
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.8917279243469238
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9974929094314575
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.057534001767635345
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.021735165268182755
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.2160608023405075
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.07221703976392746
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.02581038512289524
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.014767864719033241
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.011379214003682137
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.9609367251396179
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.0032412423752248287
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.6542084217071533
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.9006183743476868
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.012303068302571774
+O=C1C=CC(=O)N1,0.33941954374313354
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.7110136151313782
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.0022946945391595364
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.0435529388487339
+O=Cc1ccco1,0.09246983379125595
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.021540332585573196
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.902600109577179
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.9039079546928406
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9448472857475281
+COc1ccc(c(c1)OC)N.Cl,0.9417474865913391
+CC/C=C/C=O,0.8390914797782898
+C=CC(=O)NC(CC(=O)C)(C)C,0.02052721381187439
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.9631999731063843
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.6034489870071411
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.052587367594242096
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9889209866523743
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.6012317538261414
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.007672978099435568
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.0980498343706131
+CCC([N+](=O)[O-])CC,0.6169438362121582
+c1ccc(nc1)c1ccccn1,0.4107305109500885
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7844218015670776
+BrC=C,0.42410698533058167
+O=C=Nc1cccc(c1C)N=C=O,0.35957464575767517
+CCCCCCC1OC1,0.3523084819316864
+Oc1ccc2c(c1N)cccc2,0.5462418794631958
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.9404339790344238
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.3016663193702698
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.4030084013938904
+Cc1ccc(cc1)O,0.17340704798698425
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.913123607635498
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9994602203369141
+OC(=O)Cc1ccc(c(c1)O)O,0.12868265807628632
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9932316541671753
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.267464816570282
+ClCC1=C(Br)C(=O)OC1,0.9798778295516968
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.6787134408950806
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.11019261181354523
+Oc1cc(O)c2c(n1)cccc2,0.16931578516960144
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.9765469431877136
+ClCCNc1ccc(cc1)CCCC(=O)O,0.8581423759460449
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.9476470947265625
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.019474083557724953
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8751426935195923
+CCCCCCCCC(=O)OCC=C,0.01777922362089157
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.0033483807928860188
+CC(C1CCC2(CC1)OC2)(C)C,0.17151400446891785
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.5140079259872437
+Clc1cccc(c1)C(=O)Cl,0.6719805002212524
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9231542348861694
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.894871711730957
+Nc1ccc(c2c1cccc2)N,0.7517043352127075
+Clc1ccccn1,0.13983657956123352
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9321655035018921
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.924732506275177
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.4081090986728668
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.05669788643717766
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.8558239936828613
+NC(C(S)(C)C)C(=O)O,0.11777883768081665
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.9603543281555176
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.1379004418849945
+O=c1[nH]cnc2c1cccc2,0.11394157260656357
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.9856793284416199
+COC[C@H]1CO1,0.9566766619682312
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.9792102575302124
+Fc1cnc2c(c1)c1ccccc1cc2,0.6178134083747864
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.586488664150238
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.03149668872356415
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.7122734785079956
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.7775976657867432
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.0193689726293087
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.002033426659181714
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.9213732481002808
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9913963079452515
+O=Cc1ccccc1,0.09879554063081741
+OC(=O)CCCCC(=O)O,0.13840647041797638
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.014603585004806519
+c1ccc2c(n1)c1ncccc1cc2,0.8009568452835083
+C1N2CN3CN1CN(C2)C3,0.800582766532898
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.9165742993354797
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.42732104659080505
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.03322212025523186
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.3537836968898773
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.5961810946464539
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.00028278774698264897
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.7832086682319641
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.07397302240133286
+O=C1NCC[n+]2c1cccc2,0.3830491602420807
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.9634211659431458
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.01635299250483513
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.0749756395816803
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.6052260398864746
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,0.03242352977395058
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4472561776638031
+S=C1NCCN1,0.09624439477920532
+c1ccc(cc1)[Se][Se]c1ccccc1,0.4277562201023102
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.1552809327840805
+O=CC=CNCCCCC(C(=O)O)N,0.5894781351089478
+CCCC(=O)O,0.07033848762512207
+COc1ccc(ccc1=O)[N+](=O)[O-],0.8979364633560181
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.9758752584457397
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.8650758862495422
+FC(n1c(C)n[nH]c1=O)F,0.06125360727310181
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.8508658409118652
+c1ccc2c(c1)c(ccc2)CC1CO1,0.9861949682235718
+Cc1ccc(c(c1)C)N,0.8018023371696472
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.06647523492574692
+CCCCCCOC(=O)c1ccccc1,0.003433726727962494
+OC(=O)C=C,0.15346097946166992
+Cn1ccnc1S,0.45712876319885254
+C1CCC=CC1,0.40186864137649536
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.00619894964620471
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.17936742305755615
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.894841194152832
+COc1ccc(cc1)[N+](=O)[O-],0.892983078956604
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.010179838165640831
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.0020882540848106146
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.996826171875
+OCC12OOC2(CO)Oc2c1cccc2,0.6442843675613403
+Clc1cc(N)c(c(c1)Cl)O,0.3930123448371887
+Cn1c(N)nc2c1cc1ccccc1c2,0.909213662147522
+CCOc1ccc(cc1)NC(=O)N,0.23380057513713837
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.15575076639652252
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.25192540884017944
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.0884743481874466
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.06661351025104523
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.0018899610731750727
+CCCC[C@H](COC[C@H]1CO1)CC,0.31107276678085327
+BrCCC(CCBr)(CO)CO,0.5282845497131348
+COC12OOC2(C)Oc2c1cccc2,0.6745288968086243
+COc1nncc2c1cncc2,0.029389595612883568
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.5780779719352722
+BrCC(=O)c1ccccc1,0.3631710410118103
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.009442506358027458
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.008292458951473236
+S=C=NCCc1ccccc1,0.1269620656967163
+O=C1NS(=O)(=O)c2c1cccc2,0.012275208719074726
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9640302658081055
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5287885665893555
+O=C(c1ccccc1)/C=C/c1ccccc1,0.07840142399072647
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.7122645974159241
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.04302208870649338
+CC(=C)OC(=O)C,0.06363736838102341
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.05322505906224251
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.26128989458084106
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.010090925730764866
+NC(=O)NCC=C,0.09163771569728851
+CCc1cccc(c1NC(=O)C)CC,0.4740212559700012
+COS(=O)(=O)F,0.48757678270339966
+CN1CN(C)CSC1=S,0.9244003295898438
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9876317977905273
+C/C=N\O,0.2958783507347107
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.625839352607727
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.884609043598175
+CCCCCCCC(=O)O,0.01689309999346733
+ClCCOC(=O)C=C,0.2864997386932373
+NC(=S)NCC=C,0.545558750629425
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.05165097862482071
+On1nnc2c1cccc2.O,0.05127869173884392
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.035848259925842285
+C1CCC(CC1)N=C=NC1CCCCC1,0.038196515291929245
+c1ccc(cc1)Cn1cncc1,0.061589617282152176
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4082493185997009
+O=CN(C(=O)N(C)C)C,0.24278822541236877
+CCn1c(N)nc2c1ccc1c2cccn1,0.9976446032524109
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.9212236404418945
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.07855527848005295
+CCCCOCC(=O)O,0.012684878893196583
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.7079521417617798
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.0008068500901572406
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.026210878044366837
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.6946901082992554
+Ic1cc(Cl)c2c(c1O)nccc2,0.31511563062667847
+COc1nc(NC(=O)N)nc(c1)OC,0.07674990594387054
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.9884002804756165
+Oc1[nH]nc2c1cccc2,0.052435893565416336
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0.023899320513010025
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8741410374641418
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9949277639389038
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.5813535451889038
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.027741149067878723
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.6831599473953247
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.008411387912929058
+FC(C(F)(F)F)Cl,0.051144808530807495
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.20475013554096222
+CC(c1ccccc1)Br,0.08064331114292145
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.29293495416641235
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.57447749376297
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.993209958076477
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.021952250972390175
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9497178792953491
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9994564056396484
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7796269059181213
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.9625322222709656
+C/C=C\C=C,0.46896934509277344
+OCc1c(N)cccc1[N+](=O)[O-],0.5863538980484009
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.20223136246204376
+CC(=O)N(C)C,0.5165461301803589
+NCCC(N)C,0.045676298439502716
+CCCSP(=O)(SCCC)OCC,0.11108410358428955
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.9947619438171387
+ClC(C(C(F)(F)F)(F)F)Cl,0.04007803648710251
+Oc1ccccc1c1ccccc1,0.511934757232666
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.04840874671936035
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9468621015548706
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.725607693195343
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.026364440098404884
+C/C=C/c1cc(OC)c(cc1OC)OC,0.4166730046272278
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9351393580436707
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.08860404789447784
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.16431936621665955
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9985038042068481
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.012721133418381214
+COc1c2cc3OCOc3cc2nc2c1cco2,0.7414411306381226
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.9061720967292786
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.033636271953582764
+Clc1cc(Cl)nc(n1)Cl,0.07315618544816971
+BrCC(C)(C)C,0.7656470537185669
+C1NCCS1,0.17497316002845764
+O=C1CCc2c(O1)cccc2,0.2518908977508545
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.6899687051773071
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.00015726899437140673
+CC(=O)Oc1cccc2c1nccc2,0.4721328616142273
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.0988946259021759
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.7856379151344299
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0.07529086619615555
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7206283807754517
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.9778072237968445
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.5449181795120239
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.02082967758178711
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.004182114265859127
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.5952315330505371
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.6067011952400208
+COc1cc(N)c(cc1N)C,0.946628749370575
+N#N=Nc1nc2c(n1C)cccc2,0.9833233952522278
+Clc1ccc2c(n1)cccc2,0.30943408608436584
+CNC(=O)C1=NN=C([CH]1)Br,0.25062400102615356
+ClC[C@@H](CBr)Br,0.939723789691925
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.02886047586798668
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9861095547676086
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.026587653905153275
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.7098538279533386
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9212183952331543
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.944104790687561
+O[C@@H](c1ccccc1)C#N,0.03239636868238449
+C/C=C/c1ccc(cc1)OC,0.3304651379585266
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.7999335527420044
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.08932159096002579
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.994914174079895
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.0130089046433568
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.03322318568825722
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.0062792180106043816
+Nc1sc2c(n1)C1CCCNC1CC2,0.6073153614997864
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.3198366165161133
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.16034480929374695
+CC(C(=O)O)Cl,0.14950823783874512
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9984908103942871
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.01463328581303358
+[N-]=[N+]=CC(=O)NCC(=O)N,0.9215208888053894
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.8111833333969116
+OC(=O)COc1ccc2c(c1)cccc2,0.24366196990013123
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.4583521783351898
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.0022730608470737934
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.040127743035554886
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.46868497133255005
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.9133674502372742
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.8415552973747253
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.32320672273635864
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.957976222038269
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.9948589205741882
+Clc1ccc2c(c1)c1ccccc1o2,0.5968732237815857
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9589952230453491
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9945294260978699
+CCCCOC(=O)C,0.08603648841381073
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.0019411180401220918
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.8219923973083496
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.8557981252670288
+ClCc1ccc(cc1)Br,0.10809086263179779
+Cc1cccc2c1nn[nH]2,0.44915643334388733
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.5277382135391235
+ON=C,0.4804306924343109
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8719342947006226
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9963212013244629
+Nc1cnc2c(c1)c1ccccc1cc2,0.9795407056808472
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.9688687324523926
+CCCCCCOC(=O)C(=C)C,0.006813370622694492
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.9329999685287476
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9915245771408081
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.05321468040347099
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9737648963928223
+BrCCCBr,0.8472543954849243
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.00224702968262136
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.17660236358642578
+OC(=O)CCCOc1ccc(cc1C)Cl,0.0575362853705883
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.5675105452537537
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.0003221356892026961
+Nc1nc(N)c2c(n1)[nH]cn2,0.19266733527183533
+ONC(=O)c1ccccc1O,0.9200243949890137
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0038809641264379025
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.6867131590843201
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.5936933755874634
+CC(COC(=O)C(=C)C)O,0.12064703553915024
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.00046693015610799193
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9923276901245117
+CC12CCC(C2(C)C)CC1(C)O,0.0671805888414383
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.15177281200885773
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.940025806427002
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.04326590150594711
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.314530611038208
+O=C/C(=C/c1ccccc1)/C,0.23857176303863525
+CCCCCC(=O)N,0.034681182354688644
+ONc1ccc(cc1)C(=O)C,0.7250231504440308
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9838297963142395
+[S-]C(=S)NC.[Na+],0.22879020869731903
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.14693725109100342
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9136595726013184
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.9685007333755493
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.9917466044425964
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9781285524368286
+N#C[Se]Cc1ccccc1,0.3036747872829437
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8207454681396484
+CN(C=O)N,0.32875198125839233
+C/C(=N\O)/CC,0.9033308029174805
+OCCN1CN(CCO)CN(C1)CCO,0.5078909397125244
+CCCCN(CCC(=O)OC)N=O,0.9735003709793091
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.47926172614097595
+CC1=CC[C@H](CC1)C(O)(C)C,0.047473758459091187
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.24638669192790985
+Cc1ccc(c(c1)N)C,0.49048280715942383
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.17658066749572754
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.9568188786506653
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9887787699699402
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9918830990791321
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8680198788642883
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.34359484910964966
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.4838736951351166
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.9941593408584595
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.32686764001846313
+CCOc1ccc(cc1)N(C(=O)C)O,0.646247386932373
+CCOC(=O)OC(=O)OCC,0.023061322048306465
+Cc1cnc2c(n1)cccc2,0.4546804428100586
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.05066791921854019
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.05953327566385269
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,0.9593818783760071
+COc1cc(C=C)ccc1O,0.16958755254745483
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.07695837318897247
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.18678700923919678
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.8105953335762024
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.04347985237836838
+CC1c2ccccc2-c2c1cccc2,0.9264234304428101
+O=NN(CC(=O)C)C,0.956699013710022
+ClCC(=O)NCc1ccccc1,0.7119728326797485
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.957253634929657
+Nc1c(C)cccc1O,0.37746185064315796
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.6929340362548828
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.986373245716095
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.8124420046806335
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.9264547228813171
+ClCCBr,0.8756532669067383
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.3254373073577881
+Clc1ccc(c(c1)N)N,0.6510310769081116
+Fc1cnc2c(c1)c(N)ccc2,0.5153263807296753
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.38189709186553955
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7790712118148804
+O=C/C=C/c1ccc(cc1)N(C)C,0.8336426019668579
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9868712425231934
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.18440060317516327
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.9245612025260925
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.6563068628311157
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.626072883605957
+[O-][N+](=O)[CH-]CCCC,0.0412987656891346
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9660893678665161
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9981518983840942
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.904239296913147
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.03771260008215904
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0.24232542514801025
+O=C1C=C(C)C(=O)c2c1cccc2,0.6380094289779663
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.18912914395332336
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8266136050224304
+Clc1ccc2c(c1)nc(n2C)N,0.8596949577331543
+CC(CCOS(=O)(=O)C)C,0.9690231084823608
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9845593571662903
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.9132760167121887
+O1COCOC1,0.165542334318161
+[O-][N+](=O)c1ccc2c(c1)csn2,0.969267725944519
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.6714147329330444
+ClCc1ccncc1,0.24129191040992737
+OC(=O)CCN=N#N,0.8707453012466431
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.46195727586746216
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.6701849102973938
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.7665038108825684
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.019398633390665054
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8619874119758606
+C=CCCCC[C@@H]1OC1,0.41789761185646057
+CCc1ccccc1N,0.48895707726478577
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.6160527467727661
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.08302950859069824
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.004668635316193104
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.2664209008216858
+O=NN(CC(=O)C)CC(=O)C,0.9438222646713257
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.0693267211318016
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.004041315522044897
+CNC(=O)ON(C(=O)NC)C(=O)C,0.15854290127754211
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7812696695327759
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.9028093218803406
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.938428521156311
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.6817178726196289
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.33742329478263855
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.46075862646102905
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.8270148038864136
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.04373579099774361
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.8556510210037231
+OC(=O)CS.[Na+],0.15458986163139343
+OCC(C(=O)O)N,0.5949567556381226
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.8004195094108582
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.07879374176263809
+ClC=C(C)C,0.5475175380706787
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.005629013758152723
+O=NN1CCSCC1,0.971942126750946
+Fc1cccnc1,0.0747271180152893
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.006128174718469381
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9992235898971558
+c1ccc2c(c1)Oc1c(O2)cccc1,0.55375736951828
+OC(C(=O)O)Cn1cncn1,0.0030602342449128628
+NCC(=O)Nc1ccccc1,0.5654914975166321
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.8970219492912292
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9951047897338867
+[O-][N+](=O)C,0.49888163805007935
+C1CC23C(C1)(O3)C=CC=C2,0.14569072425365448
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.2927270531654358
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9927669763565063
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.976700484752655
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0.013526663184165955
+CCCCN(N=O)CCCC,0.9639724493026733
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.48199114203453064
+[O-][N+](=O)CCl,0.4979582726955414
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9966773986816406
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.973889946937561
+N#CSCSC#N,0.30850750207901
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8353527188301086
+Clc1cc(Cl)cc(c1)Cl,0.13266335427761078
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9324414134025574
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.9823818206787109
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.40472298860549927
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.6399141550064087
+O=NOC(C)(C)C,0.822608470916748
+C=CC(=C)CCC=C(C)C,0.064943328499794
+NC(=O)[C@H]1CO1,0.7706776261329651
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9813348054885864
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.4836404323577881
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.12175507843494415
+OOC1(C)c2ccccc2-c2c1cccc2,0.800506591796875
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.079142726957798
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.05117110535502434
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.012286202050745487
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.3250512480735779
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.008917626924812794
+Nc1scc(n1)c1cccnc1,0.8007159233093262
+BrN1C(=O)CCC1=O,0.18472470343112946
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.0018385529983788729
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.982028603553772
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.006524308584630489
+NC(=NC(=N)N)NCCc1ccccc1,0.05781406909227371
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9949092864990234
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.012614643201231956
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9794443249702454
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.4696362614631653
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9929134249687195
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9192380905151367
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.9153715968132019
+CCOc1cc(C=O)ccc1O,0.05339576676487923
+CC(=C)C(=O)OCC(C)(C)C,0.20648303627967834
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9463595151901245
+O=NN(CCN(C)C)C,0.9566093683242798
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.673780083656311
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.9784308671951294
+C[C@@H](c1ccccc1)CCc1ccccc1,0.26352670788764954
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.8838638067245483
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.994184136390686
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.6918835639953613
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.46326079964637756
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.02267289347946644
+CCCCC(CCCC)(CCC)S,0.10380105674266815
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.00015726899437140673
+Clc1cccc2c1c1ccccc1o2,0.712415337562561
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.8847907781600952
+N1CCNCC1,0.34715723991394043
+O=C(c1ccccc1N)OCCc1ccccc1,0.18270453810691833
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.7181454300880432
+CCOc1ccc(cc1)N,0.6353439092636108
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9916579127311707
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9689537882804871
+Oc1cccc2c1OC(C2O)(C)C,0.023969825357198715
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.22835640609264374
+OCc1cc2c([nH]1)c1ncccc1cc2,0.5259714126586914
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.9739450216293335
+CON(C(=O)Nc1ccc(cc1)Br)C,0.6185489892959595
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9764903783798218
+CCCCOC(=O)c1cccc2c1nccc2,0.008421989157795906
+C(C1OC1)Cc1ccccc1,0.8806066513061523
+OC(=O)c1ccccc1.[Na+],0.051504265516996384
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.038501568138599396
+NC(=O)C1CO1,0.7706776261329651
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.006639120168983936
+BrCC=C,0.5797432661056519
+OCc1occ(c(=O)c1)O,0.43649858236312866
+Clc1ccc(cc1)C[C@@H]1OC1,0.9275776147842407
+CCOC(=O)C(=C)C,0.088065966963768
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8074593544006348
+Oc1nsc2c1cccc2,0.5736154317855835
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.012894068844616413
+O=Nc1cc2OCOc2cc1O,0.39330369234085083
+CCOc1nc(NC(=O)N)nc(n1)NC,0.035506147891283035
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.9357607960700989
+OC(=O)CC(C(=O)O)N,0.0875561460852623
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9327559471130371
+CCNc1nc(NC(C)C)nc(n1)Cl,0.009738897904753685
+ClCCN(P(=O)(O)N)CCCl,0.9885358810424805
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.42082643508911133
+O=C(C(F)(F)F)C(F)(F)F,0.17703798413276672
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.9889575839042664
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.19132353365421295
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.7614773511886597
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9115915298461914
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,0.0007054501329548657
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.9904128909111023
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.00027810203027911484
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.30515289306640625
+CC(=O)Nc1ccc2c(n1)cccc2,0.3766532838344574
+CCSCSP(=S)(OCC)OCC,0.1176622286438942
+OC(=O)Cn1cncn1,0.013206874020397663
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.39444321393966675
+NC(=O)c1cccnc1,0.05664027854800224
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9925752878189087
+CCOP(=S)(SCSC(C)(C)C)OCC,0.1701955795288086
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9953819513320923
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.9616206288337708
+Cc1cc(C)c2c(c1N)nsn2,0.826966404914856
+CCc1cccc2c1nccc2,0.41702112555503845
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.39355871081352234
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.37889334559440613
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.9913862943649292
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9521484375
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7870962023735046
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.0030002635903656483
+CCC(C(=O)NC(=O)N)(CC)Br,0.09797398746013641
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.16865170001983643
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.061572007834911346
+ClCc1cnc(nc1Cl)Cl,0.18403425812721252
+ClCc1ccc(cc1)OC(=O)C,0.3912457823753357
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.0016817415598779917
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.9808306694030762
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.00947998184710741
+CCOCC,0.2004574090242386
+CC(OC(Cl)(C)C)(Cl)C,0.3633468747138977
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.0007803954649716616
+O=C1C=CC(=O)C(=C1)Cl,0.3822285532951355
+CCCCN(C[C@@H](CC)O)N=O,0.965447723865509
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.048165321350097656
+CC(c1ccccc1)Cl,0.17918257415294647
+CNC(=O)N(C(=O)C)O,0.058759115636348724
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.445442259311676
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9929876327514648
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9511793255805969
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.753090500831604
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.9068981409072876
+CCCCCCCC(=O)Cl,0.6027746200561523
+O=NN1CCC[C@@H](C1)Cl,0.9907729029655457
+CC(C(=O)OC)CN=N#N,0.9518188238143921
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9948440790176392
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.5008029341697693
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.8434335589408875
+OC1C2OC2c2c(C1O)cccn2,0.04818878322839737
+Fc1cc2cccnc2c2c1cccn2,0.8927024602890015
+CC[N+](=NC)[O-],0.39849233627319336
+OC(=O)/C=C/c1ccccc1,0.08204793184995651
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.956460177898407
+CS(=O)(=O)O,0.30958157777786255
+C([C@@H]1OC1)C[C@@H]1OC1,0.7720401883125305
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9667199850082397
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0.15579041838645935
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.006648189388215542
+Oc1ncc(cc1N)c1ccncc1,0.7000560760498047
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.8091294169425964
+Fc1cnc2c(c1)ccc1c2cccc1,0.4959777891635895
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.9103988409042358
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8340948820114136
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.636871874332428
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.947741687297821
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.007399293128401041
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.3604133725166321
+N#Cc1c(Cl)cccc1Cl,0.08170415461063385
+CC(Nc1ccccc1)C,0.48831039667129517
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.7589906454086304
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.10147964954376221
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.025161584839224815
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9989242553710938
+FC(C(F)(F)F)C(F)(F)F,0.0716739073395729
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.32361268997192383
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.12470275163650513
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.0003749468014575541
+[O-][N+](=O)c1ccccc1Br,0.7242412567138672
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.6401340365409851
+CCCCCCCCSCN1C=CN(C1)C,0.01360289752483368
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0038809641264379025
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9813597798347473
+CNC(=O)O/N=C\C(SC)(C)C,0.0857773870229721
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.025722607970237732
+CCSC(=O)N1CCCCCC1,0.0115859005600214
+CC(=C)C=O,0.7067241072654724
+Cc1cccc2c1cccn2,0.21914121508598328
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9459742307662964
+O1C2C1c1cscc1-c1c2csc1,0.9572026133537292
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.7737470865249634
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.7275612950325012
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6944140195846558
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.7071899175643921
+OC(=O)Cc1ccc(cc1)Cl,0.0766005665063858
+NCCCCCCCCCCC(=O)O,0.05163867399096489
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.6038044095039368
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.9256091117858887
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7286565899848938
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9499028921127319
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.04245861619710922
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.0811498686671257
+Sc1[nH]cnc2-c1ncn2,0.9175448417663574
+Clc1ccc2c(c1)nc([nH]2)N,0.3814481496810913
+BrCc1ccccc1[N+](=O)[O-],0.6274293065071106
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.9830619096755981
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.8186247944831848
+OC(=O)c1cc(O)c(c(c1)O)O,0.10198135673999786
+NCc1ccc(cc1)CN,0.1428922563791275
+CNC(=O)ON=C(SC)C,0.21733443439006805
+N#Cc1ccc2c(c1)nc([nH]2)N,0.44185662269592285
+[O-][N+](=O)c1ccccc1N,0.9464582204818726
+O=NN(Cc1ccc(cc1)C)C,0.9103918075561523
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.6823133230209351
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.9007362127304077
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.77507483959198
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7076219320297241
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6822259426116943
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.08399557322263718
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.05288052558898926
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.13478299975395203
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9993629455566406
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9189906120300293
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.7639468908309937
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.02008006162941456
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.9985760450363159
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.957668662071228
+CC(c1ccccc1)CCN=N#N,0.9606048464775085
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.9858394861221313
+O1C(C1c1ccccc1)c1ccccc1,0.7451335787773132
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.002217183355242014
+BrCc1ccc(cc1)[N+](=O)[O-],0.7814585566520691
+COC(=O)c1ccc(cc1)CN(N=O)C,0.7573091983795166
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.37143826484680176
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.006127043627202511
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.03313298523426056
+O=NN(COC(=O)C)C,0.983864963054657
+ONc1ccc(cc1)N=O,0.9898513555526733
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.46023231744766235
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.022254901006817818
+O=C(OC(C)(C)C)CN=N#N,0.469369500875473
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.08622593432664871
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9940136075019836
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.01112551148980856
+O=Cc1ccc(cc1Cl)Cl,0.11691711843013763
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.5350272059440613
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.8646392822265625
+N#CC1=C(SCCS1)C#N,0.28625693917274475
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.002324309665709734
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.024112369865179062
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.02366171032190323
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.14952751994132996
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.11765135824680328
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.9799972772598267
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.9050506353378296
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.7058643102645874
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.9682719111442566
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.019398633390665054
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.8473829030990601
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.8770381808280945
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9626822471618652
+CN(N=O)C[C@@H](CO)O,0.9566653370857239
+OC(=S)c1ccccc1,0.2712443768978119
+NC(=S)NNC(=S)N,0.26481372117996216
+O=C/C=C/c1ccco1,0.3422451317310333
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.3098818063735962
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,0.0007719696732237935
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4215455949306488
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.09870374947786331
+Oc1ccc(cc1)Cl,0.11421377956867218
+O=C1NCCN1c1nccs1,0.9714304804801941
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.005425245966762304
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7052022218704224
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.571478009223938
+CCCCCCCC[C@H]1CO1,0.29981446266174316
+ONc1ccc(cc1)Oc1ccccc1,0.9091382026672363
+BrC(Br)Br,0.365884006023407
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.002957549411803484
+C1CCOCO1,0.15665259957313538
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.16915757954120636
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7261132001876831
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6409893035888672
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9741228222846985
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9889155626296997
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9868380427360535
+OC(=O)C(CCl)Cl,0.08932448923587799
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.9671511650085449
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.28276729583740234
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.9120071530342102
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.017823901027441025
+O=Cc1cccc(c1Cl)Cl,0.053538136184215546
+OC=O,0.3631541132926941
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3[N@]4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,5.7738652685657144e-05
+N#Cc1ccc(cc1)C1(C)OC1,0.6901108622550964
+COc1ccc(cc1)CC[C@@H]1OC1,0.9447957873344421
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6389096975326538
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.7775252461433411
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.7474541664123535
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.9699106216430664
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.01510698813945055
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.026739105582237244
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.5947539210319519
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.015470335260033607
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.9948661923408508
+CCN(c1ccccc1)CC,0.47470006346702576
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.010251455940306187
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.27914705872535706
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5317592620849609
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.9494072794914246
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.0025050202384591103
+Nc1ccccc1O,0.5682108998298645
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.5834136605262756
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.0567019060254097
+CC[C@H](OS(=O)(=O)C)C,0.9386035799980164
+NC(=O)N(c1ccccc1)c1ccccc1,0.6614415049552917
+Nc1cccc(c1C)N.Cl.Cl,0.8725533485412598
+ONc1ccc(cc1C)C,0.7852262854576111
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6177799105644226
+C=CC(=O)OCC(C)(C)C,0.1596439927816391
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.0701412484049797
+Br[C@@H](C=O)CBr,0.9503797292709351
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.3472122550010681
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.861810028553009
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.004304736852645874
+CNC(=O)O/N=C/C(SC)(C)C,0.0857773870229721
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.0008361696382053196
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.2525743842124939
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9900399446487427
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.09448977559804916
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9517419934272766
+ClCCCN(COC(=O)C)N=O,0.9967212677001953
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.9237545132637024
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.8355482220649719
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.40016013383865356
+ClCCC(=O)N(c1snc2c1cccc2)C,0.15662744641304016
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.9184728860855103
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.8730189204216003
+Nc1ccc(cc1)N=Nc1ccccc1,0.8503828048706055
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.15130044519901276
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.012918720953166485
+CCC1(C)CO1,0.2176678627729416
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.005873533431440592
+CCCCN(/C(=N/O)/C=O)N=O,0.9620777368545532
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.004706330597400665
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.9530994296073914
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6258471012115479
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.3068680763244629
+NCCN1CCNCC1,0.4760376513004303
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.05439408868551254
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.0014787514228373766
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9938534498214722
+COc1nc2c(CBr)cccc2nc1OC,0.8221842646598816
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.5353901386260986
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9994761347770691
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.989022433757782
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.11938128620386124
+C[C@H](COC(C)(C)C)O,0.26957452297210693
+CCOCC(=O)O,0.035590704530477524
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.9911504983901978
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.42616814374923706
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.08826075494289398
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.507932186126709
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.877668023109436
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.005172926001250744
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.9924354553222656
+Oc1c(O)cccc1O,0.29981014132499695
+CCCc1ccc2c(c1)OCO2,0.15509167313575745
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.0005308404797688127
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9751198887825012
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4183114469051361
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.0671805888414383
+c1ccc(cc1)Nc1ccccc1,0.23766247928142548
+OC(=O)C1CC1,0.10855722427368164
+CC(COC(=O)C(=C)C)C,0.06310522556304932
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9883216023445129
+CC(CC(=O)Nc1snc2c1cccc2)C,0.1292037069797516
+OCc1ccccc1[N+](=O)[O-],0.22186055779457092
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.044711701571941376
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.0030190907418727875
+O=C=S,0.36476099491119385
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.055051326751708984
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.13569201529026031
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.0066945673897862434
+CNC(=O)c1ccccc1,0.09412930905818939
+CC(C(CBr)Br)Cl,0.970246434211731
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.03377110883593559
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.00947998184710741
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.972901463508606
+Nc1ccc(cc1)c1ccccc1,0.8197223544120789
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.08405306190252304
+COc1cc(OC)c(cc1C1OC1C)OC,0.5743727684020996
+COP(=O)OC,0.3292773365974426
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.05303114652633667
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.1159137710928917
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.8140532374382019
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.5960792303085327
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.9205703735351562
+OC(=O)CS,0.25578421354293823
+[C-]#N,0.36170732975006104
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9889664649963379
+c1cccs1,0.24474938213825226
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.009232744574546814
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.20469863712787628
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.9292922019958496
+C/C=C/C,0.26114675402641296
+CCCCOC(=O)C=C,0.011899777688086033
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.5393785238265991
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9508355259895325
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9879201650619507
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.03434588015079498
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.6784714460372925
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.7122965455055237
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.008320878259837627
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.012267346493899822
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9304181337356567
+CC(Cc1ccccc1)N,0.23709321022033691
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9702914357185364
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.005028017796576023
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.004302085842937231
+C=CCc1ccc(c(c1)O)O,0.1039852648973465
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],0.9450014233589172
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.9026232957839966
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.25670379400253296
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.04576212912797928
+c1cccnc1,0.17650246620178223
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.19085046648979187
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.8573344349861145
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8117791414260864
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.021906379610300064
+[O-][N+](=O)CCC,0.34439483284950256
+OC(=O)[C@@H]1CSCN1,0.3818991780281067
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.16651707887649536
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9939578175544739
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.9496738314628601
+C1COCCS1,0.4011506140232086
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.8596202731132507
+Oc1ccc2c(c1)OCO2,0.3688949942588806
+O=c1ccc(c[nH]1)C(F)(F)F,0.3590563237667084
+CCOC(=O)C[n+]1csc2c1cccc2,0.1004781574010849
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.6106589436531067
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.8274608850479126
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.04180771857500076
+CCc1cccc(c1N)C,0.20306888222694397
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9203546643257141
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.9436513781547546
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.04697570949792862
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.2623739242553711
+C[C@H]([C@@H](CBr)Br)Cl,0.970246434211731
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.9592742919921875
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.22981444001197815
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.058818019926548004
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.13362464308738708
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.6416274309158325
+OO[C@@H]1CCCc2c1cccc2,0.7910158038139343
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.010046963579952717
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8838638067245483
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.2823331952095032
+O=CN(c1ccccc1)O,0.5872734785079956
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.0833720788359642
+O=C(Nc1ccccc1)CC(=O)C,0.029025021940469742
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8984375
+CCOS(=O)(=O)OCC,0.8844286799430847
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.9910562634468079
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.2535152733325958
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.9530851244926453
+CO[C@@H]1OC1(C)C,0.634531557559967
+[O-][N+](=O)[C@@H](CC)Cl,0.34879249334335327
+O=NC([N+](=O)[O-])(C)C,0.49369820952415466
+Clc1ccc(cc1)Cl,0.1980004459619522
+N#CCC[C@H](C#N)C,0.11637034267187119
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.060114406049251556
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.02179645374417305
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.49003738164901733
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.0072228447534143925
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9761093258857727
+O=C([C@@H]1OC1)NCc1ccccc1,0.981009840965271
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.023103157058358192
+CCC(=O)O.[Na+],0.04935383051633835
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.43815088272094727
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.11573020368814468
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9092270135879517
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.42844638228416443
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.12040606886148453
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.9505597352981567
+Nc1cnc2c(c1)cccc2,0.9149290919303894
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9964529275894165
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.07518196105957031
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.018023770302534103
+COc1ccc2c(c1)nc(n2C)N,0.930644154548645
+O1C=CC2C(C=C1)O2,0.5468501448631287
+Nc1sc2c(n1)c(C)ccc2,0.5851619839668274
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.00224702968262136
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.8456742167472839
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.09908591955900192
+O=Cc1ccc(cc1)N,0.4172794818878174
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.9250127673149109
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7889700531959534
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9813151359558105
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.8278201818466187
+O1Cc2c(C1)cccc2,0.16375598311424255
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.7359911203384399
+C[Si](N[Si](C)(C)C)(C)C,0.36386483907699585
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.9563641548156738
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.9357534646987915
+O=C(c1ccccc1)OOC(C)(C)C,0.046896908432245255
+CS(=O)C,0.312142014503479
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.10147964954376221
+CC(=O)c1ccccc1,0.18577423691749573
+O=C1OC2=CCO[C@H](C2=C1)O,0.500206470489502
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.9984158277511597
+N#CCC#N,0.24659161269664764
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.044796448200941086
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5785536766052246
+CCCCCC/C=C\CCCCCCOC(=O)C,0.038942817598581314
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.5504202246665955
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.05070003122091293
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.4197514057159424
+Nc1ccccc1.Cl,0.6956984996795654
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.0007373837870545685
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.9413518905639648
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.5853456258773804
+FC[C@H]1CO1,0.9097282290458679
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.9464996457099915
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.1785133332014084
+NC1CCCC(C1)N,0.034208185970783234
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.0053149014711380005
+COC(=O)c1ccccc1O,0.056299567222595215
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9983465075492859
+CC(c1ccc(cc1)NC(=O)N)C,0.05297931283712387
+O=C1COC(=C1O)C,0.7695002555847168
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9771296381950378
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,0.8381379842758179
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.010547803714871407
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.9856759905815125
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.5010222792625427
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8986040949821472
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.40873003005981445
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9114178419113159
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.010468440130352974
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.9725233912467957
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.6600492596626282
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.984785258769989
+CCNc1nc(NC(C)C)nc(n1)O,0.007187900133430958
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.00032276849378831685
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9119176864624023
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.005602706223726273
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.8957186937332153
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9955684542655945
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.7165428996086121
+O/N=C/C1N(CCN(C)C)C=CN1C,0.01741417497396469
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6687882542610168
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.06054995581507683
+CCN(c1ccccc1)N=O,0.9266635775566101
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.7850855588912964
+CCCCN(CCCC)CCO,0.061976511031389236
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.9201884269714355
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5345057249069214
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.37276846170425415
+c1coc(c1)c1nc2c([nH]1)cccc2,0.5155069828033447
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2499738186597824
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.029733147472143173
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.9996763467788696
+[O-][N+](=O)/C=C/c1ccco1,0.552729606628418
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.48397713899612427
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7198977470397949
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9511381387710571
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.9285387992858887
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.5797504782676697
+O=C(C1(C)OC1)Nc1ccccc1,0.8540775179862976
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9800623655319214
+Fc1ccc(c(c1)F)N,0.946483314037323
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.6555328369140625
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9510995745658875
+CCCCOCC=O,0.14604158699512482
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.29755792021751404
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.0018418654799461365
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9494601488113403
+N#CC1=Cc2c3c1cccc3ccc2,0.8624204397201538
+OC(=O)c1cc(O)c2c(n1)cccc2,0.07048015296459198
+Cc1cccc(c1O)C,0.12279321253299713
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.8228168487548828
+OC(=O)CC[C@@H](C(=O)O)N,0.1381767839193344
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.04566829651594162
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.4546099603176117
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9458597302436829
+COCC12OOC2(C)c2c(O1)cccc2,0.4105071425437927
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.011033440008759499
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.3221706449985504
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9799907803535461
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.7093265652656555
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9929701089859009
+OC(=O)c1cccc2c1OC(O2)(F)F,0.013810163363814354
+CC1=CCC(CC1)C(O)(C)C,0.04633708670735359
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.030674656853079796
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6399096250534058
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.0016880430048331618
+C[C@]1(OC1)c1ccccc1,0.8174473643302917
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.046817753463983536
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7171970009803772
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8529969453811646
+CC[C@H]([C@@H](CO)C)C,0.21856370568275452
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.0286345724016428
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8048934936523438
+OCCBr,0.8486930727958679
+OCNC(=O)C=C,0.427659809589386
+Oc1nc(O)nc(c1)C(=O)O,0.012387839145958424
+C/C(=C\C)/C#N,0.04638388752937317
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.050313372164964676
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.05887458845973015
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.0001000666743493639
+OCc1c(CO)cnc(c1O)C.Cl,0.021286485716700554
+C=C1CCC2CC1C2(C)C,0.010881357826292515
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9186025857925415
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.7757773399353027
+C[n+]1cccc(c1)OC(=O)N(C)C,0.03122374415397644
+C[C@H]1CN1,0.21412572264671326
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9697249531745911
+c1ccc2c(c1)nccc2,0.5341776609420776
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,0.012994739226996899
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.3709315061569214
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9886250495910645
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.8993483781814575
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.004006774630397558
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.0121778454631567
+ONC(=O)c1ccc(c(c1)O)O,0.8674097061157227
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.4171920418739319
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9919158220291138
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.011057469062507153
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8399115800857544
+OC[C@@H](CCl)Cl,0.9268989562988281
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.6021803021430969
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.8626281023025513
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8597696423530579
+N#CC(C(C#N)(C)C)(C)C,0.2672102451324463
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.17363077402114868
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.9868816137313843
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.8655580282211304
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.6627989411354065
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.8401917219161987
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6662267446517944
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.8579344749450684
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9986332058906555
+ClCCN(CCCl)CCCl,0.9333782196044922
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.003488744841888547
+Fc1cc2cccnc2c2c1cccc2,0.805855393409729
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.05627830699086189
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7796996235847473
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8908808827400208
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.9745959043502808
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.9834268689155579
+c1ccc2c(c1)c1ccccc1cc2,0.7415941953659058
+CCCCCCCCC=O,0.10778234899044037
+CCOC(=O)C(=O)C,0.18113672733306885
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.006976949516683817
+CCCCCON=O,0.8550515174865723
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.06871892511844635
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9046826362609863
+CCCCN(CCC(=O)O)N=O,0.9540855288505554
+CCO,0.27634352445602417
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.030587464570999146
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.4767228662967682
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.015199844725430012
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.4096168577671051
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.14837543666362762
+[O-][N+](=O)NC,0.5953100323677063
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.1383773386478424
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9223760366439819
+CC(O)(C)C,0.45161399245262146
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.012217913754284382
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.00822283886373043
+CC(C(=O)N)Br,0.8763678669929504
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.8125560879707336
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.7485061883926392
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.05429304763674736
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.03797011077404022
+O=NN(C(C(=O)C)OC(=O)C)C,0.9190607070922852
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9664217233657837
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.01861437037587166
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.0667148232460022
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9030308723449707
+Nc1ccc2c(c1)c1ccccc1n2C,0.9880420565605164
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.8858092427253723
+OCC(C(c1ccccc1)N=N#N)O,0.674225926399231
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.549776017665863
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9941120147705078
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.18278995156288147
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.20364804565906525
+COS(=O)(=O)C,0.9811638593673706
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.9220072627067566
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.011698080226778984
+NC(=O)Cc1cccc2c1cccc2,0.6543668508529663
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.0651712641119957
+c1ccc(cc1)Nc1cccc2c1cccc2,0.4490172863006592
+[O-][N+](=O)c1cccc2c1nsc2,0.9399802088737488
+O[C@@H]1OC(=O)C=C1CCl,0.9712589383125305
+Nc1[nH]nc(n1)N,0.31544506549835205
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8749594688415527
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5630778074264526
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9638322591781616
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9897732734680176
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.9590848684310913
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9925994873046875
+OC(=O)C[C@H](C(=O)O)O,0.06936152279376984
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.8752428889274597
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.010767191648483276
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.6608906984329224
+O=NN(c1ccccc1)COC(=O)C,0.8970235586166382
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.030587464570999146
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.455410897731781
+O=C1C=CC(=O)C=C1,0.2741706967353821
+O1C[C@@H]1Cc1ccccc1,0.9620122909545898
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.0006280835950747132
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.04881460592150688
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9483532905578613
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9597439765930176
+Nc1ccc2c(c1)cns2,0.9680944681167603
+C1CCCCNC1,0.15934446454048157
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.8706921339035034
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9960772395133972
+CCCCC/C(=C\c1ccccc1)/C=O,0.08028039336204529
+C[C@H]1CS1,0.11778505891561508
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.0035232503432780504
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8478679656982422
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.00046219181967899203
+[O-][N+](=O)c1ccccc1C(=O)C,0.743107259273529
+S=C(NC1CCCCC1)NC1CCCCC1,0.3131302297115326
+O=C/C(=C/c1ccccc1)/Br,0.7995705008506775
+CC(CNc1snc2c1cccc2)C,0.06872359663248062
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.21922433376312256
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.7406116724014282
+OC(=O)CC(C(=O)O)O,0.06936152279376984
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.9549410939216614
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.9756571054458618
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.000988550717011094
+OCC(=O)Nc1c(CC)cccc1CC,0.08121418207883835
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8898999094963074
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.929702639579773
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9946197271347046
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9986515045166016
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.0955420732498169
+Nc1nc2c(s1)cccc2,0.6081531643867493
+NC(=N)S(=O)O,0.36175304651260376
+O=NN1CCCC[C@H]1C,0.966850757598877
+O=CCC(CCC=C(C)C)C,0.12312625348567963
+OC(=O)c1cccc(c1)C(=O)O,0.044703856110572815
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.820253849029541
+Nc1ccccc1N,0.6720970869064331
+OCC(CBr)(Br)C,0.2216232717037201
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9986451268196106
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.04176044091582298
+OC(=O)c1ccc(c(c1)N)C,0.5696496963500977
+Nc1ccccc1c1ccccc1,0.7986894845962524
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.006438369397073984
+CCc1cccc(c1N)CC,0.19895991683006287
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9866143465042114
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.6668763756752014
+C/C=C/c1ccc2c(c1)OCO2,0.19965870678424835
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.9951422810554504
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7510522603988647
+Nc1cn[nH]c(=O)c1Cl,0.25829124450683594
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.9706063270568848
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8248916864395142
+Nc1cccc(c1)[N+](=O)[O-],0.9770017862319946
+O=C1OC(=O)c2c1cccc2,0.2071138620376587
+ClCC(=O)c1ccccc1,0.7813359498977661
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.9114145040512085
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7173416614532471
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9863726496696472
+ClC(Br)Br,0.368074893951416
+Fc1ccc(c2c1ccc1c2cccn1)F,0.7831423878669739
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.42992764711380005
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.006386139430105686
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9940276145935059
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.34663933515548706
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9937072992324829
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.004837636835873127
+CC(=O)c1ccccn1,0.7069270014762878
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.06741447746753693
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9192186594009399
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7099573016166687
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9975361824035645
+BrC(C(Br)Br)Br,0.36799129843711853
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8587120771408081
+CC(OC(=O)C(=C)C)C,0.19318637251853943
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,0.12354815006256104
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.9987314939498901
+O=CC1C=COC=C1,0.4562920033931732
+COc1nncc2c1cccc2,0.15167956054210663
+C1=C[C@@H]2[C@H](C=C1)O2,0.21605411171913147
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.011293304152786732
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.42548951506614685
+Nc1ccc(cc1)/N=N/c1ccccc1,0.8476875424385071
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.012250607833266258
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.9901849627494812
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.024468831717967987
+O=C/C=C\c1ccccc1OC,0.7165364027023315
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.001488649402745068
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9997094869613647
+O=C(C1OC1)Nc1ccccc1,0.96037757396698
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.6644572615623474
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.022903691977262497
+Cc1ccc(c(c1O)C)C,0.15648140013217926
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9946931600570679
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.7013868093490601
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.9550786018371582
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.9944454431533813
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.09197081625461578
+ONc1ccccc1,0.8386822938919067
+CCCN(CCCCO)N=O,0.980197548866272
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.6395716667175293
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.05070596933364868
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9896509051322937
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9480379819869995
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.29849863052368164
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8091127276420593
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.993015468120575
+CNC[C@H](c1cccc(c1)O)O,0.008618141524493694
+Oc1cccc2c1cccn2,0.5640732049942017
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.33680230379104614
+Cc1cc(C)cc(c1)C,0.3024233281612396
+[O-][N+](=O)c1cncn1C,0.9189450144767761
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.1730712354183197
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.9522894024848938
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.8297895193099976
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7150932550430298
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.998217761516571
+c1ccc2c(c1)oc1c2cccc1,0.6238795518875122
+BrC(C=O)CBr,0.9503051042556763
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9807599782943726
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.1370534598827362
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6864842176437378
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.06610439717769623
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.7347609400749207
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.7765363454818726
+Nc1ccc2c(c1)cccn2,0.948359489440918
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.9948619604110718
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.03337179869413376
+O=C=Nc1cccc2c1cccc2N=C=O,0.9363930821418762
+CCOc1ccccc1[N+](=O)[O-],0.5065730810165405
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.955265998840332
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.855292022228241
+NNc1nnc(c2c1cccc2)NN,0.9249804615974426
+CCCC(=O)OCCC(C)C,0.018435586243867874
+ClCc1ccc(cc1)OC,0.6027995347976685
+O=c1ccoc(c1O)C,0.5611697435379028
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9874647259712219
+O=NN(CC(=O)O)CC(=O)O,0.6770442128181458
+Oc1nc(Cl)nc(n1)Cl,0.1597677767276764
+ClCC(=O)Nc1snc2c1cccc2,0.9406096339225769
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.7918745279312134
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.12119247764348984
+O=C1c2ccccc2C(=O)C1(O)O,0.21628542244434357
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.2936747670173645
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.7837603092193604
+ClCCC(CBr)Br,0.9579300880432129
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.8885489702224731
+O=NN(C(=O)N)C,0.975710391998291
+ClCCN(C(=O)NCC(=O)N)N=O,0.9984859228134155
+CC(=O)Nc1ccc(cc1)O,0.37795940041542053
+Cc1ccc(c(c1)N)N,0.4909696578979492
+OCCN(N=O)CC,0.9898197054862976
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9906970858573914
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.6996585130691528
+[O-][n+]1ncc2c(c1)nccc2,0.13644519448280334
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.00034782648435793817
+Cc1ccc2c(c1C)c1ccccc1cc2,0.7272528409957886
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.4333929419517517
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.45558270812034607
+N/N=c/1\sc2c(n1C)cccc2,0.9040386080741882
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.05143777281045914
+Fc1cnc2c(c1)c1ncccc1cc2,0.44688525795936584
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.09389449656009674
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9660753011703491
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.3591201901435852
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.9983550906181335
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9524280428886414
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.18540653586387634
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.1834365725517273
+CC(=O)OCN([N+](=O)[O-])C,0.9428081512451172
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9892960786819458
+CC#N,0.26556289196014404
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.08929947763681412
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9280840754508972
+CCCN(C(=O)SCC)CCC,0.021086592227220535
+OC(=O)CBr,0.2573964595794678
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.5317972898483276
+CC(CC(=O)CC(C)C)C,0.2048090398311615
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.9724810719490051
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.06303597241640091
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.6293312311172485
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9600641131401062
+O=Nc1ccc(cc1)Oc1ccccc1,0.963003933429718
+CC(=S)N,0.36189883947372437
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.002182090189307928
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.0040548378601670265
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9606688618659973
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8593385815620422
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8924266695976257
+CC([N+](=O)[O-])(Cl)C,0.5045628547668457
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.9954417943954468
+N#Cc1cc(Br)c(c(c1)Br)O,0.140191912651062
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8510071635246277
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.006218439433723688
+CC(=C)C1CCC2(C(C1)O2)C,0.181578129529953
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.08075038343667984
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.7661823630332947
+CC(=O)Nc1cccc(c1C(=O)O)N,0.3200701177120209
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.47155600786209106
+Nc1ccc2c(c1)nccc2,0.9012072682380676
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.00228654476813972
+Clc1nncc2c1cccn2,0.09099321812391281
+NC(C(=O)O)Cc1ccccc1,0.2871801555156708
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.9002361297607422
+CC(=O)CC(=O)C,0.08091660588979721
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.04213625565171242
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9897468686103821
+CCOC(=O)N(C)C,0.08990788459777832
+OC(=O)c1cccc(c1Cl)Cl,0.014353061094880104
+Nc1cc2nc3ccccc3nc2cc1O,0.6748450994491577
+O=Nc1ccccc1c1ccccc1,0.9011273384094238
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8709880113601685
+CCC(=O)C(=O)C,0.9376152157783508
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.5253564715385437
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.02580951154232025
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.08211370557546616
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.0140410540625453
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.38766375184059143
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.996112048625946
+OCN=N,0.5043161511421204
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.9527286291122437
+Nc1cccc2c1cccc2N,0.7555110454559326
+CCOC(=O)[C@H](Br)C,0.8441259264945984
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.2619512677192688
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9653409123420715
+CNc1ccc2c(c1C)nc(cn2)C,0.8789626955986023
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.8041628003120422
+CCCCC=O,0.21387715637683868
+OCC(CBr)(CBr)CO,0.6463233232498169
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.9647964239120483
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.987959086894989
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.004599526524543762
+O=C1NS(=O)(=O)c2c1scc2,0.022818807512521744
+OC(CN=N#N)CN=N#N,0.9716744422912598
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9890791773796082
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9447059631347656
+CC(OP(=O)(F)C)C,0.03687124326825142
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.0029094719793647528
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.6739341020584106
+c1ccc2c(n1)C1OC1C1C2O1,0.0572909340262413
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00024148011289071292
+Clc1ccc(cc1)S(=O)(=O)C,0.09693840146064758
+C=CC(=O)OCCCCCC(C)C,0.00895792804658413
+OCCOCCOCCO,0.09293986856937408
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.8312597274780273
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9652770161628723
+CCCC(=O)Cl,0.8888312578201294
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.03317539021372795
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.01611860655248165
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8942428827285767
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.36713722348213196
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.8978667259216309
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.2050870656967163
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.07318843901157379
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.52854984998703
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.996116042137146
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9424842000007629
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.29439327120780945
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.024039719253778458
+Cc1cccc(c1)C,0.2405659258365631
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9545019865036011
+CCCCOCCCC,0.0869743600487709
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.01315848995000124
+Nc1ccc(cc1Cl)C(F)(F)F,0.3439945876598358
+CN1CCC[C@@H]1c1cccnc1,0.0314885713160038
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.041509464383125305
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.026646990329027176
+OCc1ccco1,0.6163798570632935
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.03787196800112724
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7498423457145691
+CCCCOB(OCCCC)OCCCC,0.1453407257795334
+CC[C@H]1CO1,0.7696234583854675
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.3323744237422943
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7190366983413696
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.9985561370849609
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.2958604693412781
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.967175304889679
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.15209846198558807
+O=C=Nc1ccc(cc1)N=C=O,0.7327843308448792
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.8461228609085083
+C[C@H](CCC(=O)c1cocc1)O,0.3128071427345276
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9970208406448364
+CCCC[C@H](CN)CC,0.038768041878938675
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.3694065511226654
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.9417840242385864
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.679885983467102
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9974006414413452
+Cc1cc(nc(n1)N)C1CC1,0.05273778364062309
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.9660753011703491
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9995814561843872
+Nc1cc(Cl)cc(c1)Cl,0.3800308406352997
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9854322671890259
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.9360531568527222
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.04621778801083565
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.006826844997704029
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.1183338314294815
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.06687403470277786
+C=CCOC(=O)c1ccccc1N,0.048596274107694626
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8114733695983887
+CC1CCCC1,0.11003585159778595
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.6821545958518982
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.46643194556236267
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.004313272424042225
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.259778767824173
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.9135276079177856
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8933595418930054
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.004023795481771231
+c1ccc(cc1)c1ccccc1,0.49187225103378296
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9390989542007446
+O=C1C=CC(=O)c2c1c(O)ccc2,0.794791579246521
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.34132903814315796
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.9897568821907043
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.02124391309916973
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.8453727960586548
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.8227460980415344
+CNc1ccc(cc1)[N+](=O)[O-],0.8775991201400757
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.0006604584050364792
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.9979289174079895
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.46175259351730347
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.0039831544272601604
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.5506389737129211
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9216235876083374
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9914499521255493
+CN(N=Nc1ccc(cc1)Br)C,0.5123680233955383
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.867711067199707
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.07654163241386414
+COc1cc(ccc1OC)CC1CO1,0.9812884330749512
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.00569380447268486
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.9678522348403931
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.05798082426190376
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7358186841011047
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.8982056379318237
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.010656538419425488
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.15443620085716248
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.07633303105831146
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.204214408993721
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9420450925827026
+COCCCN,0.5268037915229797
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,0.005519929341971874
+c1ccc2c(c1)Sc1c(N2)cccc1,0.5856468677520752
+CC(=CCC1CCCC1=O)C,0.09425320476293564
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.12985940277576447
+NC(=O)NCC(=O)O,0.7488613128662109
+O=C1CC[C@H](N1C)c1cccnc1,0.014630970545113087
+CC(=O)O,0.09113780409097672
+FC(OC(C(F)(F)F)Cl)F,0.16566459834575653
+CC=C,0.2787688672542572
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.7932865619659424
+ClCCN(C(=O)NC1CCCCC1)N=O,0.9957731366157532
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.03211257606744766
+CC(C(C)(C)C)OP(=O)(Cl)C,0.021120253950357437
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8039795160293579
+BrC(C1=C(Br)C(=O)OC1)Br,0.9685474634170532
+CCCCCCCCCCCCCCCCCCO,0.041915714740753174
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.8601939082145691
+CN(/N=N/c1ccc(cc1)Cl)C,0.7754413485527039
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.3229883909225464
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8774088025093079
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7881146669387817
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.970189094543457
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.4578174650669098
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.4044337272644043
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.08022177219390869
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0.027136672288179398
+O=C1NCC(=O)N1,0.6772274971008301
+CCCC[C@@H](C(=O)O)CC,0.017696084454655647
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.946160614490509
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.8936862945556641
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.980934739112854
+Cn1cnc2c1ccc1c2cccn1,0.6905121803283691
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.005159356165677309
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.6112011671066284
+NCc1cccc(c1)CN,0.12504950165748596
+CCCCCCCCCCCCc1ccccc1,0.04250292107462883
+C=CCc1ccc(cc1)O,0.0951823964715004
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.004994142800569534
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.14861240983009338
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.4102092385292053
+O=c1[nH][nH]c2c1cccc2,0.10736601054668427
+C/C=C/C1OC(=O)C=CC1O,0.5101242065429688
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.7796258926391602
+Brc1cccc(c1)[N+](=O)[O-],0.422218382358551
+Clc1ccc(c(c1)Cl)O,0.03153504803776741
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.5287483334541321
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.9411450624465942
+CNCC(c1ccc(c(c1)O)O)O,0.030503327026963234
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.030389901250600815
+CC1CCC2CC1C2(C)C,0.3126499056816101
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.3059956431388855
+Fc1ccccc1,0.26938360929489136
+COc1ccc(cc1)CN(N=O)C,0.957506000995636
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.6747334599494934
+C=CC(=O)NCCCN(C)C,0.24379220604896545
+Clc1ccc(cc1)CNC1CCCC1,0.014772782102227211
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.8154864311218262
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.5505322813987732
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.3144407868385315
+CCCCCCCCCCCC(=O)C,0.006571930833160877
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8205529451370239
+OCCOCC,0.048095665872097015
+Brc1cc(Br)c(c(c1)Br)O,0.07926739007234573
+Cc1nnc(c(=O)n1N)c1ccccc1,0.9046136140823364
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9767061471939087
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.7925261855125427
+CC(C#N)O,0.265312135219574
+OCc1ccnc2c1cccc2,0.061572570353746414
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.0075768218375742435
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.1631793975830078
+CC1=CC(C)(C)Nc2c1cccc2,0.10244645178318024
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.003861271543428302
+c1ccc2c(c1)snc2,0.7956889867782593
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.03657440096139908
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.025446170940995216
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.006636636797338724
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.06058599427342415
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9644901156425476
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.0011857261415570974
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6733991503715515
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.16597053408622742
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.7407774925231934
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.6396105885505676
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.931479811668396
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9864886999130249
+S(Cc1ccccc1)SCc1ccccc1,0.1636263132095337
+Nc1ccccc1SCCSc1ccccc1N,0.7958067059516907
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.16035018861293793
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.8679794073104858
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.7192386388778687
+C[C@H](CN)O,0.08549971133470535
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.496633917093277
+C=CC(=C)Cl,0.5630334615707397
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.03387831896543503
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.024952802807092667
+CC(C#N)C=C,0.09875350445508957
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.8461845517158508
+COc1ccc(cc1)C[C@@H]1OC1,0.9850853681564331
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11169970035552979
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.6789047122001648
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.12087532132863998
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8411523103713989
+CCN=[N+](C)[O-],0.22879178822040558
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.019521508365869522
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.054045163094997406
+C=CC(=O)OCC(C)C,0.04652096703648567
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.005242272280156612
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.5562288165092468
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8787148594856262
+CC(=O)C=C,0.401506245136261
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.8341846466064453
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.06839053332805634
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9845744967460632
+ClCC(=C)Cl,0.8171404600143433
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.013385298661887646
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9957767724990845
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.8113033175468445
+c1ccc(cc1)c1nc2c(o1)cccc2,0.07914932072162628
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5086624026298523
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.03500575199723244
+ClCc1cccnc1,0.1501198559999466
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.07098664343357086
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9962809681892395
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.04898324981331825
+BrCC(=O)N(Cc1ccccc1)C,0.04997403547167778
+[O-][N+](=O)CCC(=O)O,0.14139291644096375
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.0019170349696651101
+[O-][N+](=O)[CH-]C,0.31827670335769653
+O=Nc1n(C)cnc1c1ccccc1,0.9117329716682434
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.04214561730623245
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.5029787421226501
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.0445563830435276
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9374402165412903
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.049167029559612274
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.9153324961662292
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.08648313581943512
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9861591458320618
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.002508552046492696
+Nc1cccc2c1nc1c(N)cccc1n2,0.9356307983398438
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.3072224259376526
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9922386407852173
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.00047601907863281667
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.01132978592067957
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.995895266532898
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.32074683904647827
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9698007702827454
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.13213443756103516
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.028963163495063782
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.980178952217102
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.02259434014558792
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.37877607345581055
+FCC(F)(F)F,0.26723718643188477
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0012012432562187314
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9949720501899719
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8711076974868774
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.8104476928710938
+CNC(=O)Nc1ccc(cc1)C(C)C,0.016330968588590622
+[O-][N+](=O)c1ccc(c(c1)C)N,0.9177838563919067
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.9391860961914062
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.6514692306518555
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.09619753062725067
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.8423471450805664
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9807599782943726
+Oc1ccccc1c1nc2c(o1)cccc2,0.256390243768692
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.7818487882614136
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.8659795522689819
+[O-][N+](=O)c1cnc(s1)N,0.9385684132575989
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.994532585144043
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.023127194494009018
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.1941778063774109
+c1cnc2c(c1)C1OC1C=C2,0.41889721155166626
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.5332303643226624
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.8952314257621765
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.6940010190010071
+Cc1cnc2c(c1)cccc2,0.3536873459815979
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.009419840760529041
+CCOC(=O)C(=C)C#N,0.26255932450294495
+O=S1(=O)CCCO1,0.9603209495544434
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.10567475855350494
+CC12OC1C1CCCCC1c1c2cccc1,0.019530123099684715
+CCCCOCCOCCOCCCC,0.09875331073999405
+COC(=O)c1oc(c(c1Cl)Cl)N,0.6429523825645447
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.03176982328295708
+OCC([N+](=O)[O-])(CO)Br,0.4670048654079437
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,0.960480809211731
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.5858863592147827
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.05084812641143799
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.9768945574760437
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.5469934344291687
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.122408427298069
+CCOc1ccccc1N,0.837003231048584
+NC(=N)NC#N,0.3277592360973358
+CC1(OC1)c1ccccc1,0.8458715677261353
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9031559228897095
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6647437810897827
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.9814753532409668
+Cc1ccc2c(c1)ccc(=O)o2,0.41083812713623047
+O=c1n(CC2CO2)sc2c1cccc2,0.9754633903503418
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0.48156294226646423
+[O-][N+](=O)[C@@H](CO)C,0.3059599995613098
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9744657278060913
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.9803606867790222
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.018054615706205368
+COP(=O)(OC=C(Cl)Cl)OC,0.3119199275970459
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9692287445068359
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.01579480804502964
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.829825222492218
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.17219975590705872
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.022064190357923508
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.5780441164970398
+BrC/C=C\CBr,0.6596784591674805
+C[C@H](C(=O)NCc1ccccc1)Br,0.9662758708000183
+CCCCCCOC(=O)C=C,0.005046905018389225
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.003322047647088766
+CN(N=O)C[C@H](O)C,0.9783600568771362
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.016024697571992874
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.31958499550819397
+ClCC=CCCl,0.7902570962905884
+ClCC(C(Br)(C)C)Br,0.45503395795822144
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.5045071840286255
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.811607837677002
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.003932490944862366
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.11929173767566681
+C[N+]1=CC=C(CC1)c1ccccc1,0.6870762705802917
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.8348814249038696
+CC([N+](=O)[O-])(Cl)Cl,0.4993690550327301
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9447689056396484
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.9020067453384399
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9950854182243347
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.8746468424797058
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.21921086311340332
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9197008013725281
+c1ccc2c(c1)ccc1c2cccn1,0.8622047305107117
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.3131374716758728
+Nc1ccc(c(c1)O)C,0.6054458618164062
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9982330203056335
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.9984532594680786
+Nc1cccc2c1-c1ccccc1C2,0.7420064806938171
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9907204508781433
+Clc1ncccc1Cl,0.09093219041824341
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.059283770620822906
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8929360508918762
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.9673370122909546
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9606989026069641
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.9941964149475098
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9803673028945923
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.48458132147789
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9568977355957031
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.9504896402359009
+CCCCCCCCC=C,0.06109602376818657
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.43459272384643555
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.8227065801620483
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8823951482772827
+COc1cc(N)ccc1N,0.9699551463127136
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.022976746782660484
+CC(=C)C#N,0.15200018882751465
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.06392629444599152
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9930915832519531
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8972955942153931
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.9679619669914246
+CNC(=O)CSP(=O)(OC)OC,0.6532778143882751
+CC[C@@H](CN)O,0.14496631920337677
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.9617083668708801
+COc1ccc2c(c1)C1CCCCC1C=C2,0.8583120107650757
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9891098141670227
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.057395089417696
+CC(N=C=NC(C)C)C,0.2698272168636322
+c1ccc2c(c1)Sc1c(O2)cccc1,0.21546760201454163
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.1356394737958908
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,0.010059496387839317
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9802327156066895
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9890745878219604
+Oc1cccc(c1)O,0.25477972626686096
+Clc1ccc(c(c1)Cl)Cl,0.09068559110164642
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.3533601760864258
+O=Cc1cccc(c1)[N+](=O)[O-],0.7037363052368164
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9552488327026367
+O=C([C@]1(C)OC1)Nc1ccccc1,0.8819870948791504
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.8910859823226929
+C[C@H](C=O)CC,0.07302653044462204
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.0016920525813475251
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.8800816535949707
+Brc1ccc(cc1)c1ccccc1,0.1078166514635086
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.0633624866604805
+Fc1cccc2c1c1cccnc1cc2,0.7641247510910034
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9978456497192383
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.0033928542397916317
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.03970576077699661
+ClCCNCCCl,0.8630979657173157
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.7914129495620728
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.27878284454345703
+Cc1cccc2c1ccc1c2cccc1,0.8079096078872681
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.03457334637641907
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.1333729475736618
+CCOP(=S)(OCC(C)C)SCCl,0.01691858470439911
+OC(=O)c1ccc(cc1)Cl,0.04437767714262009
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9576823115348816
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.7065079808235168
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.898213267326355
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9955734014511108
+COc1cc(ccc1O)CC1CO1,0.9847785234451294
+CS(=O)(=O)C,0.22611203789710999
+Oc1ccnc2c1cccc2,0.6578162312507629
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.9474499821662903
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.9964542388916016
+Cc1ccc2c(c1)cccc2C,0.6618432402610779
+Oc1ccc(cc1O)C(C)(C)C,0.05995676666498184
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.13406677544116974
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.023804794996976852
+COc1nsc2c1ccc(c2)N,0.9843401908874512
+COc1cc(ccc1N)[N+](=O)[O-],0.991329550743103
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9912668466567993
+CC/N=[N+](/CC)\[O-],0.03161381557583809
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9042161703109741
+CCOC(=O)c1ccccc1C(=O)OCC,0.06921134144067764
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.9440833330154419
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.9926266670227051
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.06668753921985626
+CC(OC[C@@H]1OC1)C,0.9223228693008423
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.0017630818765610456
+[O-][n+]1c2ccccc2nc2c1cccc2,0.551170825958252
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.19187235832214355
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.96306312084198
+CCNS(=O)(=O)c1ccc(cc1)C,0.41498416662216187
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9584016799926758
+CO[P@](=O)(NC(=O)C)SC,0.03601863980293274
+CN[C@@H]([C@H](c1ccccc1)O)C,0.0325629822909832
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9967554807662964
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.1896974742412567
+Cc1ccccc1N.Cl,0.7246508598327637
+[O-][N+](=O)c1nccn1C,0.8878068923950195
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.04273805767297745
+BrCCSCC(C(=O)OC)NC(=O)C,0.9460331201553345
+CC(=O)/C=C/c1ccccc1,0.1545611321926117
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.6086845397949219
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.11920835822820663
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.0023932154290378094
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.5625542402267456
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.02027279883623123
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.0020478572696447372
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9913007020950317
+CC(=C)C(=O)OC[C@H]1CO1,0.9663025736808777
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7796996235847473
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.35692495107650757
+ClC[C@](CBr)(Br)C,0.2624557912349701
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9858936071395874
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.0038857287727296352
+O=C(C(C)C)Nc1snc2c1cccc2,0.5479862093925476
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.27616652846336365
+CCCC(=O)Nc1snc2c1cccc2,0.15192165970802307
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.006959183607250452
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9858936071395874
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.7120556831359863
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.004809117875993252
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8787542581558228
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.16589407622814178
+COC(=O)C(=C)Cl,0.7581807374954224
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9819096326828003
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.010437470860779285
+C=C,0.36590591073036194
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.023121703416109085
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9144313931465149
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.9084911346435547
+ONc1ccc(c(c1)Cl)Cl,0.6358469724655151
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.9108712077140808
+Nc1ccc2c(c1)s[nH]c2=O,0.9786224365234375
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.43307217955589294
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.7077024579048157
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.9193774461746216
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9773584604263306
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.6247420310974121
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.9577232599258423
+OCCN(CCO)CCO,0.3259360194206238
+O=NN(c1ccncc1)C,0.6678547859191895
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.004905420355498791
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.23349258303642273
+CC(c1cc(ccc1N)c1ccccc1)C,0.546628475189209
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.9475461840629578
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9969866871833801
+Cc1cc(nc(n1)O)C1CC1,0.03544611483812332
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.022614464163780212
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.06872418522834778
+C=CC#N,0.19705651700496674
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.00035997366649098694
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9899559020996094
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.9573591351509094
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.9979766011238098
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.022255662828683853
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.5585982799530029
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.039713770151138306
+CCC12OC2O1,0.030107999220490456
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.38972845673561096
+C1COC1=O,0.25086817145347595
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.13126380741596222
+OC(=O)O.N.N,0.05040856450796127
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9928817749023438
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9936582446098328
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.3851071298122406
+Cc1nc(N)nc(n1)N,0.1187267079949379
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.10624055564403534
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.7054756283760071
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9696723222732544
+CN(c1[nH]cnc2-c1ncn2)C,0.3634905219078064
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6236449480056763
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.41034460067749023
+O=c1oc2cccc3c2c2c1cccc2cc3,0.5556550025939941
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.8132176399230957
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.9953612089157104
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9955539703369141
+NNc1nncc2c1cccc2,0.9353731274604797
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9128328561782837
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9595509767532349
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9467981457710266
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,0.07807444036006927
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,7.489405106753111e-06
+NC(=N)c1ccccc1,0.03892504796385765
+c1cc2cccc3c2c(c1)CC3,0.8966612815856934
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.020413795486092567
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.9869805574417114
+c1ncc[nH]1,0.3370888829231262
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.02122638188302517
+Clc1cc(Cl)c(c(c1)Cl)O,0.03690008074045181
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9229695200920105
+OCCN(c1ccc(cc1)C)CCO,0.13294224441051483
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.9961787462234497
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9963420033454895
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.6730684638023376
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.1105063185095787
+[O-][N+](=O)C1CCCC1,0.08407305181026459
+OCc1ccc(cc1[N+](=O)[O-])N,0.786551833152771
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.9448620676994324
+S1CCSCC1,0.475795179605484
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.00015433643420692533
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.009315555915236473
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.007177706807851791
+CC(C[C@H](O)C)C,0.12638065218925476
+[O-][N+](=O)c1ccccc1C(=O)O,0.5558665990829468
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.012875626794993877
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.07047499716281891
+ClC/C=C\Cl,0.9574248194694519
+OC(C1CO1)CO,0.8722705841064453
+Nc1ccc(c(c1)N)O,0.8698030710220337
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.11864940822124481
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.03125926852226257
+O=C1C=CC(=O)c2c1cccc2,0.6247612237930298
+c1ccc[nH]1,0.1924687623977661
+Oc1cccc(c1)Cl,0.05275024101138115
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.3400978446006775
+NC(=O)CI,0.529873788356781
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.7068296670913696
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.18748167157173157
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3117796778678894
+CNC(=O)Nc1ccccc1,0.08747132867574692
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.6823495030403137
+N#Cc1ccccc1[N+](=O)[O-],0.6703809499740601
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.06771179288625717
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.9899805784225464
+Cc1ccc(c(c1)N)O,0.209870383143425
+NCC(=O)Nc1ccccc1.Cl,0.6191118955612183
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.9041741490364075
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.7918228507041931
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9081956744194031
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9139263033866882
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.0014682975597679615
+OC1CC[N+](CC1)(C)C.[Cl-],0.10355539619922638
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.0046773203648626804
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.7760714292526245
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9893587827682495
+OCCC#N,0.190616637468338
+Cc1cccc(c1)[N+](=O)[O-],0.5884910821914673
+Cc1cccc(c1)O,0.12393315136432648
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5941583514213562
+CCCCCC[C@@H]1OC1,0.3418605923652649
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.8662525415420532
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.005332755856215954
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.1131816953420639
+Nc1cc2ccccc2cc1N,0.8301955461502075
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.0829910859465599
+O=C(C1OC1)NCc1ccccc1,0.9890899658203125
+CCCCCN(N=O)CCCCC,0.9397290945053101
+Cc1nc2c(nc1C)ccc(c2C)N,0.9717710614204407
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.005292308051139116
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.02585126832127571
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.9980411529541016
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.008627863600850105
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.6444071531295776
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.49669885635375977
+Oc1ccc(cc1)c1ccc(cc1C)N,0.613955020904541
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.11909397691488266
+Cc1cc(C)nc(n1)Nc1ccccc1,0.05342009663581848
+O[C@@H]1COC(=C(C1=O)O)C,0.8565758466720581
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.9405325055122375
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.005912739783525467
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.3513448238372803
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9883818626403809
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8131628036499023
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.7386196851730347
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.0064010159112513065
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.0650283545255661
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.6639779806137085
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.1580464392900467
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.018523959442973137
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7053120732307434
+COP(=S)(OC)OC,0.4618392586708069
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.002793519524857402
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.9355308413505554
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9398479461669922
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.9869181513786316
+CC(=C)C1CO1,0.919750988483429
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.05680075287818909
+OC(=O)CCCCC1SCC2C1NC(=O)N2,0.018571842461824417
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.018985766917467117
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.08404859155416489
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.7488080263137817
+COC1=C(OC)C(=O)C(=CC1=O)C,0.10230594873428345
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.8977906107902527
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.5144973397254944
+C=Cc1ccc(cc1)C,0.10719899088144302
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.9797390103340149
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.9925476312637329
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.009318070486187935
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.008627863600850105
+CSc1ccc(cc1)Cl,0.04886481910943985
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.19607284665107727
+C/N=N/O.[K+],0.8872494697570801
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.013197203166782856
+O=C(n1cncc1)n1cncc1,0.2119104564189911
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.032441191375255585
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.007093604654073715
+Cc1ccc(cc1)Cc1ccccc1,0.20399367809295654
+Cc1ncc2c(n1)CCC2,0.2235698252916336
+CC(=O)OCN(N=O)CCCl,0.9924308657646179
+O=Nc1nccn1C,0.921747088432312
+OC[C@@H]1SCCN1N=O,0.3979392945766449
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8774842023849487
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.0014462809776887298
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.912983775138855
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.0328088104724884
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.9599800109863281
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.033961404114961624
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.21378035843372345
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.621783435344696
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.6519770622253418
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.1557181179523468
+O=C1C=C(O)c2c(C1=O)cccc2,0.6048949956893921
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.2509329915046692
+O=C(c1ccccc1N)OC1CCCCC1,0.07449281960725784
+O=Cc1c2ccccc2cc2c1cccc2,0.5119128227233887
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.5118995308876038
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9179630279541016
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.7883321046829224
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.2451259344816208
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8218771815299988
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.8168908953666687
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.1050693541765213
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.9352288246154785
+Nc1cccc2-c3c(Cc12)cccc3,0.9204444885253906
+Cc1cc2-c3ccccc3Cc2cc1C,0.7728257775306702
+CCOC(=O)CNC(=O)C(Br)(C)C,0.016809189692139626
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.10863561928272247
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.5168184041976929
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.76616370677948
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.6954860687255859
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.9323631525039673
+COc1cc(N)ccc1C,0.7494596838951111
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.7847030758857727
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.03672178089618683
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.0010963431559503078
+CN(c1nc(C)c(c(n1)O)C)C,0.04789448529481888
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.8111703991889954
+N#C/C=C\C#N,0.1169353574514389
+c1scc(n1)c1nc2c([nH]1)cccc2,0.174783855676651
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9743322134017944
+CC(CCON=O)C,0.9387415051460266
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.03687196969985962
+CCCC(=C)C=O,0.5055364370346069
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.9973897933959961
+OC1=C(C)CCC1=O,0.24100616574287415
+C/C=C/CC#N,0.09046714007854462
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.853476345539093
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9318557977676392
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.02168712206184864
+CCC(=C)C=O,0.418771892786026
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.003788489382714033
+Nc1cccc2c1snc2Cl,0.9678460359573364
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.43828439712524414
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5250003337860107
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.02578446827828884
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.007771067321300507
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,0.0019163715187460184
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.9175779223442078
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.014764909632503986
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.017078524455428123
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.843084454536438
+CC1=CC(=O)CC(C1)(C)C,0.06518848240375519
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.9556064605712891
+N#Cc1ccccc1,0.18629860877990723
+C=CC(=O)OCCCCCCOC(=O)C=C,0.017193710431456566
+NCCNC(=O)c1ccc(cn1)Cl,0.06846475601196289
+O=C1c2ccccc2Cc2c1cccc2,0.21485546231269836
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.0018832121277227998
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9394451379776001
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.3074643611907959
+O=Nc1c(CC)cccc1CC,0.2961363196372986
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.8715523481369019
+Nc1ccc(cc1)F,0.7170568108558655
+CC(=O)Nc1cccc(c1)N,0.8565025329589844
+OCCCCCCC/C=C/C=C/C,0.427006334066391
+O=Nc1cccc(c1)c1ccccc1,0.9760513305664062
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.6378918290138245
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.9449040293693542
+NCCNCCNCCNCCNCCN,0.43662452697753906
+COP(=O)(N1CCOCC1)OC,0.3883029818534851
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.010983426123857498
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.07047081738710403
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.9791505932807922
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9923475980758667
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.04787714406847954
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.005379190668463707
+C/C=C\c1cc(OC)c(cc1OC)OC,0.38634419441223145
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.7987732291221619
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.863408088684082
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.76616370677948
+Nc1ccc(cc1)N.Cl.Cl,0.7062098383903503
+CCCCCCCCCCO,0.03774069622159004
+CC(=O)/C=C\c1ccccc1,0.2080368548631668
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.010295959189534187
+CCSCCSP(=S)(OC)OC,0.2402222603559494
+C=CS(=O)(=O)C,0.35007065534591675
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.7184911966323853
+ONc1c(C)cccc1C,0.5418625473976135
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.0028887444641441107
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.08678443729877472
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.11810044944286346
+ClCCN(c1cnc(nc1O)O)CCCl,0.2850630283355713
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9567015767097473
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.6746824979782104
+CNC(=O)ON,0.8702024221420288
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.6055914163589478
+CC(CC1NC(=O)CNC1=O)C,0.03284541890025139
+Oc1ccc2c(c1)cccc2O,0.43944406509399414
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.02470354177057743
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.4190610945224762
+CCNc1nc(NCC)nc(n1)Cl,0.017963211983442307
+S=C(Nc1ccccc1)Nc1ccccc1,0.37956273555755615
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.018108244985342026
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.06110570952296257
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.9674245715141296
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.994645893573761
+O=Nc1c(O)ccc2c1cccc2,0.5226753354072571
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.8036397099494934
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.20550575852394104
+OC(=O)O,0.089420385658741
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.10368870198726654
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.0030758902430534363
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.9846014976501465
+NC[C@H](N)C,0.16540703177452087
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.14587117731571198
+OCCc1ccccc1,0.3607192635536194
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.289196252822876
+O=c1[nH][nH]c(=O)c2c1cccc2,0.11127636581659317
+CCNCC,0.21602407097816467
+OCc1ccc(cc1)O,0.08648747205734253
+Clc1cccc2c1cc1ccccc1c2,0.8161329030990601
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.3190477192401886
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.012543253600597382
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.5183618068695068
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.7873047590255737
+Cc1ccc(cc1NCC)O,0.11907283216714859
+BrCC(c1ccccc1)Br,0.8287835121154785
+c1ccc2c(c1)[nH]nn2,0.08980663120746613
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.22048600018024445
+[O-][N+](=O)CC,0.5484867095947266
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.009776690043509007
+N[C@H](C(=O)NCC(=O)O)CS,0.8272731900215149
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.989087700843811
+Nc1ccc(cc1)Br,0.36799532175064087
+ONc1ncnc2c1ncn2C,0.9942635297775269
+NC(C(=O)O)CS/C=C/Cl,0.15028369426727295
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.025703877210617065
+CNP(=O)(N(C)C)N(C)C,0.05388887599110603
+[O-][N+](=O)NC(=N)NC,0.15620216727256775
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.046885740011930466
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9809356927871704
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.28605860471725464
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.023519396781921387
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7469751238822937
+CCc1ccc(nc1)C,0.08464463800191879
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.04898868501186371
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.08884124457836151
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.03665401414036751
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.08243512362241745
+Cc1cncc(n1)C,0.08545184135437012
+O=CN(c1cccc(c1)Cl)O,0.28177255392074585
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.5988951325416565
+CCOC(C(=O)C(O)O)C,0.3998946249485016
+Cc1ccc(c2c1cccc2)C,0.5113340020179749
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.9286791086196899
+c1ccc(cc1)/C=C/c1ccccc1,0.6507644653320312
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9939982295036316
+Cc1ccc(cc1)Br,0.07798174768686295
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],0.03603813052177429
+Nc1ccc2c(c1)cccc2,0.8798044919967651
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.01450900174677372
+CC1(OC1)c1ccc(cc1)Cl,0.7291356325149536
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.9862838983535767
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9969866871833801
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.8661743402481079
+ClC[C@H](O[C@@H](CCl)C)C,0.8330527544021606
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.03980120271444321
+CC(CCOC(=O)CC(C)C)C,0.06612960249185562
+c1cnc2c(c1)CCC1C2O1,0.1823795735836029
+ClCC=C,0.8227370381355286
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.9984076619148254
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.0037039052695035934
+ClC(=C)C#N,0.31200942397117615
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.006691516377031803
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.12976108491420746
+CC(=C)C(Cl)C,0.25193873047828674
+Oc1nc2c(o1)cccc2,0.1653473824262619
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.48553353548049927
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.02101304568350315
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.2256922423839569
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.1284066140651703
+[O-][N+](=O)c1ccccc1C,0.6527019739151001
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.9606316685676575
+NCCCNCCCCN(N(N=O)O)CCCN,0.7658237814903259
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.031352460384368896
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.991898238658905
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9616489410400391
+OC(=O)CCCC[C@H]1SSCC1,0.024963676929473877
+NS(=O)(=O)c1ncn[nH]1,0.039528559893369675
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.12318664789199829
+CCOCC=O,0.09098956733942032
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.030465900897979736
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.40070876479148865
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.01215954776853323
+C[C@H](C(=O)NCC(=O)O)S,0.3321012556552887
+COc1nncc2c1nccc2,0.14376790821552277
+O1CCOCCOCCOCCOCCOCC1,0.3666626811027527
+COC(=O)C(CSCCCl)N,0.9506291151046753
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.021328115835785866
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9715072512626648
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.02571965754032135
+CCCCCCCCCCCCCCCCCCCC,0.06762891262769699
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.9773176908493042
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.8789388537406921
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7606711387634277
+ONc1[nH]cnc2-c1ncn2,0.9664009213447571
+CNP(=S)(N1CC1)N1CC1,0.21542009711265564
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.2047261744737625
+Nc1scc(n1)c1ccccc1,0.6043234467506409
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,0.9566609263420105
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9880901575088501
+CN.Cl,0.12825754284858704
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0.0003286170249339193
+OCCI,0.40683889389038086
+CCNc1snc2c1cccc2,0.028951004147529602
+CCCCCCCCCCCCCC=C,0.06637269258499146
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.28927135467529297
+COc1ccc(cc1)C=O,0.223636195063591
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9624749422073364
+N#Cc1cccc(c1)[N+](=O)[O-],0.7203061580657959
+CC/C=C\C#N,0.12197120487689972
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.7422352433204651
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.00036943418672308326
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8965861201286316
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9659929275512695
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.21102149784564972
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9872924089431763
+CCc1ccnc2c1cccc2,0.15809623897075653
+OC/C=C/c1ccccc1,0.6644308567047119
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.0025360840372741222
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8541944622993469
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.03341038525104523
+O=Nc1ccc(cc1)O,0.8193961381912231
+O=CC(=O)C,0.5364435911178589
+Clc1ccccc1S(=O)(=O)N,0.009684255346655846
+O=NN(Cc1cccc(c1)C)C,0.7273125648498535
+CSCCC=O,0.2530801594257355
+COCC=O,0.1086234450340271
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9889793395996094
+Clc1nncc2c1cccc2,0.2902069687843323
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.7076760530471802
+OCCNc1ccc(c(c1)O)C,0.5331522226333618
+CC(c1ccccc1)C,0.10493843257427216
+BrCC(=O)Nc1ccc(cc1)C,0.1589578092098236
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.9306162595748901
+O=Cc1ccc(o1)[N+](=O)[O-],0.9986183047294617
+ONc1ncnc2c1ncn2Cc1ccccc1,0.9956199526786804
+C1CCC2(CC1)CO2,0.2788987159729004
+Fc1ccc2c(c1F)nccc2,0.7769216299057007
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.3041260242462158
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.61217200756073
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.031054019927978516
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.0648721307516098
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9147138595581055
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9497241973876953
+O=C1c2ccccc2C(=O)c2c1cccc2,0.5613111257553101
+CCCCOC(=O)c1ccccc1N,0.028023410588502884
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.005502822808921337
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.565673828125
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,0.005265182349830866
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.7907348871231079
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.9797465205192566
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.026225294917821884
+OCCCCl,0.31181925535202026
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.02848660945892334
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3324507772922516
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,0.06163240596652031
+Oc1ccc(c(c1Cl)Cl)Cl,0.03554009273648262
+COc1cc(C=O)c(cc1OC)OC,0.2566430866718292
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.0007150585879571736
+ClC(=O)c1ccccc1F,0.9480190277099609
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.30170950293540955
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9924825429916382
+BrCC(=O)c1ccc(cc1)Br,0.11252547800540924
+CNc1ccc2c(c1C)ncc(n2)C,0.8955839276313782
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.027215778827667236
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.9890834093093872
+COc1nsc2c1cccc2OCC1CO1,0.9956790804862976
+ONS(=O)(=O)c1cccc2c1nccc2,0.19977152347564697
+Clc1cccc(n1)Cl,0.24078574776649475
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8584855198860168
+CSCCC(C(=O)O)N,0.09407017379999161
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.2979976534843445
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9904034733772278
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9606863260269165
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.6935663223266602
+C[C@H]1CCOS(=O)(=O)O1,0.9081791043281555
+C[C@H]([C@@H](CCl)Br)Br,0.923514187335968
+OC1CC(C)(C)N(C(C1)(C)C)O,0.38387754559516907
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.39579468965530396
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.9945851564407349
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8711441159248352
+CNC(=O)Oc1ccccc1,0.6625562906265259
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9908466339111328
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.010227316990494728
+OC[C@@H](CI)O,0.31532007455825806
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.756462037563324
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.9515608549118042
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.8591264486312866
+Cc1cnccn1,0.06394695490598679
+O=C(C(Br)(C)C)Nc1ccccc1,0.0830940455198288
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.02379334717988968
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.9712660908699036
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.9532694816589355
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.17585712671279907
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.9884181022644043
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8711989521980286
+Nc1ccc(cc1)Cl.Cl,0.5088163614273071
+O=Nc1ccc(cc1)Sc1ccccc1,0.951921820640564
+CC1(C)C2CCC3(C1C2)CO3,0.04306167736649513
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.9767107963562012
+CC(C=O)CC,0.059753406792879105
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.026529058814048767
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.004843914415687323
+O=c1oc2c([nH]1)cccc2,0.21068811416625977
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.9608327150344849
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7525956630706787
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.9466644525527954
+Clc1cccc(c1)C(F)(F)F,0.038207437843084335
+[Cu].[Cu].O,0.2826414406299591
+Nc1nc2c(n1C)ccc1c2nccc1,0.963761031627655
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.6123256087303162
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9907960891723633
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9929645657539368
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.3106846511363983
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.010115435346961021
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9815253019332886
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9332867860794067
+C/C=N/N(C=O)C,0.7885369062423706
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7712621688842773
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.0035073861945420504
+Cc1ccccc1S(=O)(=O)N,0.12474067509174347
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.0036601468455046415
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9570516347885132
+Nc1ccc(cc1)Oc1ccccc1,0.8476278185844421
+CC(=O)OCC=C,0.0797443836927414
+CCCC[C@H](COC(=O)C=C)CC,0.026826420798897743
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.03275839239358902
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.3418605923652649
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.011882682330906391
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.1403619945049286
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.1284066140651703
+COC(=O)c1ccco1,0.1340896636247635
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9192438125610352
+Clc1c2ccccc2cc2c1cccc2,0.8454383611679077
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.8152221441268921
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.05372864753007889
+Nc1n[nH]cn1,0.6443933844566345
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.8182176351547241
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.03548547998070717
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.7855240106582642
+CNC(=O)N(c1ccccc1)c1ccccc1,0.40345531702041626
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.12313543260097504
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.7759045958518982
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.9676271677017212
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,0.01526795607060194
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9121198654174805
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.0007853037677705288
+Nc1cccc2c1nc1cccc(c1n2)N,0.7745798230171204
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4750295579433441
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9580210447311401
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.0022606521379202604
+O=NN(c1ccccn1)C,0.18443520367145538
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.9666302800178528
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.1263132244348526
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.00025223963893949986
+C/C=C(/C=O)\Cl,0.9395114183425903
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.8091965913772583
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.7438219785690308
+OCCCN=N,0.7212210893630981
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.9031757116317749
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.0021192673593759537
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.11338391155004501
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.9274638295173645
+c1ccc2c(c1)[nH]cc2,0.5853988528251648
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.7831236124038696
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.16656602919101715
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.09512098878622055
+COP(=O)(OC)OC,0.1644395887851715
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8523237109184265
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.9244238138198853
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.6989799737930298
+Clc1cccc(c1)[N+](=O)[O-],0.7971646189689636
+O=C(Nc1ccccc1C)CC(=O)C,0.0166325643658638
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6793963313102722
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.36266833543777466
+N#C/C(=C\c1ccco1)/C(=O)OC,0.06745263189077377
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9715057611465454
+Clc1nnc(c2c1cccc2)Cl,0.22096896171569824
+CCOc1ccc(cc1N)NC(=O)C,0.8865985870361328
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9727070927619934
+NCCN,0.4962922930717468
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.008342856541275978
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.10463528335094452
+CCCCCc1cc(O)cc(c1)O,0.03121943771839142
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.3895803987979889
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9610946774482727
+NC(=O)CN1C[C@@H](CC1=O)O,0.12560592591762543
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.01491276454180479
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.10134676843881607
+c1cnc2c(c1)ccc1c2cccn1,0.7799571752548218
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.08961325138807297
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.005060078576207161
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.6725231409072876
+O=NN(C(=O)O/N=C(\SC)/C)C,0.5932430028915405
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.5759760141372681
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.009229169227182865
+CCNc1cccc(c1)O,0.21529927849769592
+ClC[C@H]1CO1,0.9715404510498047
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9567137956619263
+O=NN1CCC=CC1,0.9291245341300964
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.888545036315918
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.20654955506324768
+CCc1ccc(cc1)C,0.14001259207725525
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.4365053176879883
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.8520614504814148
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.32301682233810425
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5843394994735718
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.6864132285118103
+ClCC(CCl)(CCl)CCl,0.5153403878211975
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9253609776496887
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.19152721762657166
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.028947774320840836
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9884351491928101
+CCCCCCCCCCCCC=C,0.06637269258499146
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8280171155929565
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.7054786682128906
+CCCON=O,0.9401507377624512
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9784293174743652
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9353071451187134
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.7880679368972778
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.3669506907463074
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.0036720545031130314
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8501156568527222
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.04469452425837517
+N[C@H](C(=O)O)CSCCCl,0.9312330484390259
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.001010683597996831
+SCCc1cnccn1,0.20121526718139648
+NCCCCCCN,0.1126316636800766
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.03726545721292496
+CC(=O)N,0.41444262862205505
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.02598273754119873
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9989253878593445
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.987712025642395
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.9911597967147827
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.9803711175918579
+CN(c1ccc(cc1)N)C,0.8274739980697632
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.23406274616718292
+CCCCCCCCCCCCCO,0.03774069622159004
+OCc1ccc(cc1)OC,0.27699050307273865
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.766454815864563
+COc1ccc(c(c1)C)N,0.8873566389083862
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.20858386158943176
+BrCC(Br)(Br)Br,0.5778292417526245
+Nc1cccc(c1)C(F)(F)F,0.12689395248889923
+NC(C(=O)O)CN=N#N,0.9765440225601196
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.873782753944397
+NC(=O)c1ccccc1C(=O)N,0.2258109152317047
+O=NN(c1cccnc1)C,0.8298345804214478
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9664987325668335
+O[C@H]1C=CC=C[C@@H]1O,0.6450802683830261
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.11648337543010712
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.048097915947437286
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9455510973930359
+CC(=[N+]([O-])[O-])C,0.6387382745742798
+Nc1ccc2c(c1)c(Cl)ns2,0.8959062695503235
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.12791548669338226
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9874326586723328
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.07111913710832596
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.9580874443054199
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.25136598944664
+BrCCC(Br)Br,0.769183874130249
+NCCNc1cccc2c1cccc2,0.9679723978042603
+CCCCOC(=O)CCC,0.018561266362667084
+Cc1ccc2c(c1)cccn2,0.618346095085144
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6843727827072144
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.02452598325908184
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.9950484037399292
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.5814228653907776
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.14077094197273254
+Oc1cccc2c1OC(C2)(C)C,0.03555548936128616
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.5870020985603333
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.79899662733078
+COc1cc(/C=C/C(=O)O)ccc1O,0.09071977436542511
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.000515259220264852
+Nc1[nH]ccc2-c1c1ccccc1n2,0.5418021082878113
+ClCl,0.3489888310432434
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.13262127339839935
+Sc1ncc(c(n1)O)C,0.03352592885494232
+CCOC(=O)CC(O)C,0.11593484878540039
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.9758516550064087
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.9768215417861938
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.9934536814689636
+NCC(C)C,0.2703193724155426
+C=C[C@H]1CCC=CC1,0.16168026626110077
+[O-][n+]1cccc2c1C=CC1C2O1,0.2805839478969574
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9600231051445007
+CCN(c1cccc(c1)O)CC,0.19783742725849152
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.900141716003418
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.9859710931777954
+CCOP(=O)(N(C)C)C#N,0.03265751525759697
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.01525417435914278
+C/C(=C/C)/C#N,0.04108370840549469
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.11186043918132782
+CCCCC/C=C\C=C/C=O,0.7695170640945435
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.002336535369977355
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.006943835876882076
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9511933326721191
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.027640318498015404
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.3185485005378723
+OCCn1c(C)ncc1[N+](=O)[O-],0.9274557828903198
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.9404424428939819
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9200159311294556
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.05645442008972168
+OCc1ccc(cc1)[N+](=O)[O-],0.6672391295433044
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.21628180146217346
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6988652944564819
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.0058069899678230286
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9972525835037231
+CN=C=S,0.35685718059539795
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.8248154520988464
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.4264965057373047
+CCC(C)C,0.07388261705636978
+NNc1ccccc1.Cl,0.6490808725357056
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.9498546719551086
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.5702927112579346
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.97914057970047
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.995588481426239
+O1C2C1C1N=NC2C2C1O2,0.5823693871498108
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.9396953582763672
+CCOC(=O)C(CS)N,0.6283509135246277
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9159315824508667
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9913848042488098
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.7961838841438293
+O1CCN(CC1)SSN1CCOCC1,0.14004309475421906
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9852476119995117
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.024511199444532394
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.007059100084006786
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.039922598749399185
+CCOC(=O)CNC(=O)C(Br)C,0.8099261522293091
+CNc1ccc2c(c1N)nc(cn2)C,0.7272485494613647
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.8777350187301636
+C[C@H](CCl)O,0.5026772618293762
+C[n+]1c2ccccc2cc2c1cccc2N,0.987347424030304
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.013454670086503029
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.8842470049858093
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9992963671684265
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8382471203804016
+OCC(Cc1ccccc1)CN=N#N,0.8561792373657227
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.6206509470939636
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.9223728179931641
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.9169121980667114
+S=P(N1CC1)(N1CC1)N1CC1,0.34849467873573303
+Nc1nc(nc(n1)O)NC(C)(C)C,0.004280318506062031
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.2517845034599304
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.0014538633404299617
+OCCN(CC(=O)O)N=O,0.6510977149009705
+CCCBr,0.6965376138687134
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.9986250996589661
+NNc1nncc2c1ccnc2,0.8097096681594849
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.0020268128719180822
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.08157306164503098
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.16311395168304443
+COC(=O)c1ccccc1,0.11159167438745499
+COC(=O)CC(=O)C,0.022422824054956436
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8190110325813293
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.0023818586487323046
+Br[C@H](CBr)COC(=O)C=C,0.8500558733940125
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.44007164239883423
+Fc1cccc(n1)F,0.36097270250320435
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.9890836477279663
+CCCCN(CCCC)N,0.181983083486557
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.09450538456439972
+CC(c1ccc(nc1)C(F)(F)F)O,0.019916240125894547
+C=CC(=O)OC[C@H]1CO1,0.9497572183609009
+Nc1ccc2c(n1)n1ccccc1n2,0.9507757425308228
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.9829753041267395
+ONc1ccc(c(c1)C)C,0.8012876510620117
+BrC(=C)C(=O)C,0.4297856390476227
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.32584428787231445
+Nc1ccccc1C(F)(F)F,0.3528895974159241
+NNc1ccc(cc1)[N+](=O)[O-],0.929820716381073
+CNCCO,0.1307060569524765
+NCCCCC(C(=O)O)N,0.06993822753429413
+C=CC(=C)C,0.3665963113307953
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9782916307449341
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9283134341239929
+O=c1ccc2c(o1)c1ccoc1cc2,0.24211804568767548
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8421953320503235
+NCCc1cc(O)c(cc1O)O,0.3318682312965393
+Nc1ccc(c(c1)Cl)Cl,0.6499140858650208
+OC(=O)CCC(=O)O,0.11869531869888306
+Cc1cccc(c1)N.Cl,0.39819779992103577
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9715989828109741
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.40159496665000916
+CC([N+](=O)[O-])C,0.158658966422081
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.007518609520047903
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.7206743359565735
+NN(c1ccccc1)c1ccccc1,0.8609016537666321
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.029309242963790894
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.019523877650499344
+OS(=O)(=O)c1cccc2c1nccc2,0.19037990272045135
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.2123963087797165
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9098392724990845
+CC(COC(=O)c1ccccc1N)C,0.09180532395839691
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.19590041041374207
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.0026406426914036274
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.015758778899908066
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.7215853929519653
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.9283739328384399
+CN(C(=O)NC)N=O,0.9452148675918579
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.028815021738409996
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.6812030673027039
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.8051374554634094
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9996110200881958
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9969006776809692
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8337521553039551
+CON,0.3502711355686188
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.9328551292419434
+Oc1ccccc1c1ccccc1O,0.47043004631996155
+Nc1nc(N)c2c(n1)nc[nH]2,0.16499540209770203
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9735293388366699
+Oc1ncc(c(n1)O)F,0.024410821497440338
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9797168970108032
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,9.622224752092734e-05
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.48942476511001587
+O=NN1CCCCCCCCCCCC1,0.9798466563224792
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.024862322956323624
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.8414381742477417
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.03420740365982056
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.011099716648459435
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.013485318049788475
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.47963470220565796
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9056841135025024
+C/C(=C\C)/CCl,0.6017028093338013
+C[Si](N=N#N)(C)C,0.6687088012695312
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.012855634093284607
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.020775455981492996
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.6898062229156494
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.24587056040763855
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.05008246749639511
+Cc1ccc2c(c1)ccc1c2cccc1,0.6935663223266602
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.9455510973930359
+C[n+]1c2ccccc2cc2c1cccc2,0.9236318469047546
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.34742021560668945
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.8340330123901367
+NC(=O)/N=N/C(=O)N,0.4494136869907379
+C=CCOC[C@H]1CO1,0.7110191583633423
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9724851846694946
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.001081370166502893
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.007005702704191208
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.3694932460784912
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.994194507598877
+ClOCl.[Cu+2],0.3120468258857727
+OCC(CO)O,0.25900405645370483
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.17277643084526062
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.3360733091831207
+OCC=C,0.46340879797935486
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.28022629022598267
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8890569806098938
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.44333282113075256
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.5322167277336121
+O=CCC=O,0.3213556408882141
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.04216398671269417
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.011404653079807758
+Nc1sc2c(n1)c(Cl)ccc2,0.4669498801231384
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.983172595500946
+C[C@@]1(CO1)C=C,0.38886117935180664
+OC(=O)Cc1ccc(cc1)N,0.23314101994037628
+CCN(C(=O)N(C)C)N=O,0.9654925465583801
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.2774251401424408
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8304979205131531
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.0018474019598215818
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.0037733535282313824
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.02255532518029213
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.008168447762727737
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.8941494822502136
+C/C=C\C=C/C=O,0.8063277006149292
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.25100037455558777
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.07330833375453949
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.2814263105392456
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.028842907398939133
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9803025126457214
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7749508023262024
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.03311926871538162
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.9742118120193481
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.04169122129678726
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.04434378817677498
+C=O,0.36884111166000366
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.873791515827179
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.03189057111740112
+CCN/N=N/CC,0.9417330026626587
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9932359457015991
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9761805534362793
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.008786501362919807
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8931019902229309
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9835187792778015
+C=CC1CC2CC1C=C2,0.027823343873023987
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.0033950458746403456
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.6584783792495728
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.16082344949245453
+FC(c1ccccc1)(F)F,0.07900776714086533
+OC(CO)CN=N#N,0.9829723238945007
+BrC(C(=O)O)Br,0.29468590021133423
+Br/C=C/Br,0.397601842880249
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.06425429880619049
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.059023045003414154
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.1165069192647934
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.11600331962108612
+Cc1ccc(cc1)N(C)C,0.46814948320388794
+Cn1nc(c(c1)C(=O)O)C(F)F,0.01268498320132494
+Nc1cccc2c1nc1ccccc1n2,0.7638854384422302
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.983241081237793
+COc1cc(OC)[nH]c(=O)n1,0.050912559032440186
+CCCC[C@H](COS(=O)(=O)O)CC,0.20275703072547913
+CCCCCCCC/C=C\CCCCCCCCN,0.032074008136987686
+OS(=O)(=O)c1ccccc1,0.05214158818125725
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.31394845247268677
+CCC/C=C(\C=O)/CC,0.14336737990379333
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.14276012778282166
+C[C@H](CBr)O,0.7492464184761047
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.00039915493107400835
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.015514415688812733
+O=NN1CCN(CC1)N=O,0.9593607187271118
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.3806202709674835
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9532591700553894
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9827437400817871
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.6220771074295044
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9560282826423645
+FS(=O)(=O)F,0.3614191710948944
+C1OC(=O)C=C1,0.1559200882911682
+O=C1C=CC(=O)C(=C1)C,0.10191979259252548
+ONc1ccc(cc1)Sc1ccccc1,0.9149223566055298
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.9759548902511597
+COc1ccc(cc1)C(C=C)O,0.1244078055024147
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.009414279833436012
+CC(=O)Nc1cccc2c1ncc(c2)F,0.17083555459976196
+CC(OC(=O)Cc1ccccc1)C,0.09905131161212921
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9834775924682617
+COCCOC,0.4305320680141449
+[O-][N+](=O)c1ccc(c(c1)C)C,0.6832390427589417
+Oc1ccc(nn1)O,0.11170251667499542
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.5659329295158386
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.9848357439041138
+O=C1C=C(N)c2c(C1=O)cccc2,0.5386934876441956
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.5804530382156372
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.759915292263031
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.3657425045967102
+Nc1ccc2c(c1)nc(c(n2)C)C,0.8648405075073242
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.6970463991165161
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.23120716214179993
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.8886895179748535
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.002117536263540387
+Clc1ccc(c(c1)Cc1ccccc1)O,0.1222722977399826
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.16678747534751892
+ClCc1ccccc1CCl,0.30138760805130005
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.017591442912817
+O=C(C(Br)C)NC(C)(C)C,0.9159201383590698
+COP1(=S)OCc2c(O1)cccc2,0.8470250964164734
+CCOC(=O)CC(=O)CCl,0.11185778677463531
+C=CC(=O)OCCCCCOC(=O)C=C,0.02396768145263195
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9029685854911804
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.09796921908855438
+CNCCS(=O)(=O)O,0.0629073977470398
+Nc1ccc(cc1)S(=O)(=O)N,0.18831868469715118
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.9024925231933594
+[O-]S(=O)(=O)[O-].[Fe+2],0.31211966276168823
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.879270076751709
+CCOC(=O)CBr,0.3126789629459381
+ClCCCCN(COC(=O)C)N=O,0.9967634081840515
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.959044337272644
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9848440885543823
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8936944007873535
+O=C1C=CC(=N#N)C=C1,0.5417575240135193
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.9476320147514343
+O=C(C(=O)O)C(=O)O,0.17938102781772614
+Cc1cnc(c(n1)C)C,0.41522860527038574
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.0016826596111059189
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.990086555480957
+CC/C=C/1\OC(=O)c2c1cccc2,0.25585106015205383
+Oc1cc(O)cc(c1)O,0.25357070565223694
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5863375663757324
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.013884293846786022
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.10497291386127472
+CC(Cl)C,0.6713790893554688
+CCCCCCCCCCCCCCCCCCN,0.03820401430130005
+N#CC(Cl)(Cl)Cl,0.1935216188430786
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.9493207931518555
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.9236809611320496
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.016969794407486916
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.15457430481910706
+CC1CCc2c(C1)occ2C,0.1871187835931778
+O=C1CCC(=O)O1,0.06475307792425156
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.03201264515519142
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.5981448888778687
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9719316363334656
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.028463277965784073
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.01960335299372673
+CCOP(=O)(SC(CC)C)SC(CC)C,0.0333080030977726
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.1128159910440445
+Clc1ccc(c(c1)C(=O)O)O,0.09979759156703949
+CCCCOCCOCCSC#N,0.01748088374733925
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.005562583915889263
+NC1CCCCC1,0.05499197915196419
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9920151829719543
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.35890260338783264
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.015119602903723717
+CCCCCCCCCCCl,0.11394353955984116
+O=c1nc[nH]c2c1cccc2,0.09965439140796661
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.8868594169616699
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9942509531974792
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9988611340522766
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9474924802780151
+OC(=O)c1sccc1S(=O)(=O)N,0.008301342837512493
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9764860272407532
+NC(=O)Nc1ccc(cc1)Br,0.08582870662212372
+O=Cc1ccc(c(c1)Cl)Cl,0.0680273026227951
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.8158053159713745
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.046307407319545746
+CNc1ccc2c(c1N)cccn2,0.9124054908752441
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9966896176338196
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.213709756731987
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.003249283181503415
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.8070648908615112
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8778554797172546
+COC(=O)C1=C(CC)C(OC1=O)C,0.33438539505004883
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8791667819023132
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.32194551825523376
+COC(=O)c1ccc(cc1)C(=O)OC,0.13070663809776306
+OC(=O)CCCc1c[nH]c2c1cccc2,0.14851774275302887
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.006565714720636606
+Cc1c(N)ccc(c1C)N,0.734587550163269
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.9783707857131958
+CCN1CCN=N1,0.9270660281181335
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.05447959154844284
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.9894292950630188
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.9116981625556946
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6726657748222351
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9795417785644531
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.8708930015563965
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.23210158944129944
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9722530245780945
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.996285080909729
+NCCS(=O)(=O)O,0.08577023446559906
+Nc1ccc2c(c1)c1ccccc1cc2,0.962419331073761
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.6961754560470581
+CCOc1cccc(c1)N,0.6057825684547424
+O=NN(c1ccccc1)C,0.3515240550041199
+OOC(C)(C)C,0.8875304460525513
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.9810266494750977
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.5125478506088257
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.7155886292457581
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.052917081862688065
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8099386096000671
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.0016031938139349222
+CCCCCCCCCCCC(=O)NCCO,0.04338030889630318
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.8426505923271179
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5733022689819336
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.6300390362739563
+[N-]=[N+]=NCCC(C(=O)O)N,0.9624612927436829
+ClCCOC/C(=C\Cl)/Cl,0.9596782922744751
+BrCC(=O)NCc1ccccc1,0.5785149931907654
+SC(=N/C=C/N=C(S)S)S,0.36899861693382263
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9611144065856934
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.992447555065155
+Cn1c(N)nc2c1cc1ccncc1n2,0.19128644466400146
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.8914480209350586
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.4933527112007141
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.6510297656059265
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9935609698295593
+OCCOCCOCC,0.06427357345819473
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.00849316269159317
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.022091621533036232
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.02076237089931965
+ClCCN(C)C,0.7216366529464722
+BrC[C@H](c1ccccc1)Br,0.7741697430610657
+Nc1ccc2c(c1)scn2,0.8005566596984863
+CC(C(=O)O)N,0.21529047191143036
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.6901412606239319
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.972978413105011
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.0027392306365072727
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.0577935092151165
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9519246220588684
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5033162236213684
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.21788248419761658
+CC(=O)C1(CCNCC1)c1ccccc1,0.15936610102653503
+ONc1nc(N)nc2c1[nH]cn2,0.9401786923408508
+COC(=O)c1ccccc1CS(=O)(=O)N,0.16886505484580994
+CC1CCN(CC1)N=O,0.9862104654312134
+Oc1ccc(c(c1)O)C(=O)O,0.10795847326517105
+[N-]=[N+]=NCCc1ccccc1,0.9107993841171265
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.008636761456727982
+S(Cc1ccccc1)Cc1ccccc1,0.12936840951442719
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.9709663391113281
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.3229091465473175
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.9744971394538879
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.6926959156990051
+NC(=O)C[C@H]1CO1,0.8474006652832031
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6153467297554016
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.940606415271759
+c1ccc(cc1)N=Nc1ccccc1,0.5796509981155396
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.8553595542907715
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8676994442939758
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.016091400757431984
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.009748673997819424
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.11015363037586212
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9119834899902344
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.9709830284118652
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.9784437417984009
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.04077921062707901
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.04234346002340317
+COc1ccccc1N,0.8899351358413696
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.6004582047462463
+CCCCCCCCCCCCCCCCCC(=O)O,0.01746630109846592
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7440882921218872
+c1ccc(cc1)/N=N/c1ccccc1,0.5796509981155396
+OCNC(=O)CCl,0.5443087816238403
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9870409965515137
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.01840607263147831
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.9321070909500122
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.6945117712020874
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9190104603767395
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.4884079098701477
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9928922653198242
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.04293191060423851
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.4366488456726074
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9984389543533325
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9912567138671875
+OP(O)O,0.3014875054359436
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9858942031860352
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.01118017639964819
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.006222806870937347
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.014837652444839478
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.013627809472382069
+N=C(Nc1ccccc1)Nc1ccccc1,0.48611003160476685
+OC(=O)c1ccccc1C,0.07306265830993652
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.9280079007148743
+C1CCC2C(C1)c1ccccc1CC2,0.04128407686948776
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.09859161078929901
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8073055148124695
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8962554931640625
+Clc1cccc(c1)NC(=O)N(C)C,0.14845626056194305
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.917308509349823
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8433135747909546
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.13221600651741028
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.06579188257455826
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.05545185133814812
+O=Cc1ccccc1Cl,0.17676690220832825
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.956706166267395
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.05843247100710869
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9960013628005981
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8793268203735352
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.8245892524719238
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9982005953788757
+CCNC(=S)NCC,0.395503431558609
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.1028592586517334
+OC(=O)C1(N)CCCC1,0.07709743827581406
+Clc1ccc(cc1)CC[C@@H]1OC1,0.7501998543739319
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.010234028100967407
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.22499117255210876
+CCc1ccc(nc1)C(F)(F)F,0.01798119768500328
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.016197267919778824
+CCC(OS(=O)(=O)C)C,0.9477275013923645
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.05497727915644646
+CC(C(=O)Nc1ccccc1)Br,0.8540735244750977
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.9806625247001648
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.6498833894729614
+CC1CCCO1,0.5683336853981018
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.1535167247056961
+Nc1c2CCCCc2nc2c1cccc2,0.9607343673706055
+CC(CC(=O)C)C,0.03300250321626663
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.02153852954506874
+OC(=O)CCc1ccccc1,0.0696251168847084
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.002849407261237502
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8619512319564819
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.06248975917696953
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.9654151797294617
+CCCCCCCCn1sccc1=O,0.16498994827270508
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.3198619484901428
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.2865050435066223
+BrC[C@H](Br)C,0.9341607093811035
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.3437449336051941
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9900134801864624
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.992725670337677
+OC(=O)CCc1c[nH]c2c1cccc2,0.05714668706059456
+CCN(c1ccc(cc1)[N+]#N)CC,0.9460498094558716
+COc1cc(ccc1O)C[C@H]1CO1,0.9746944308280945
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7598681449890137
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.02995891310274601
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8525460958480835
+COc1cc(F)ccc1[N+](=O)[O-],0.8130092620849609
+OC(=O)COc1ccc(cc1Cl)Cl,0.018881607800722122
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.08446216583251953
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.9193660616874695
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.08200530707836151
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.9212435483932495
+Oc1ccccc1O,0.33786076307296753
+ClC(=O)c1ccccc1Cl,0.9307395815849304
+BrC[C@H]1CO1,0.9960192441940308
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0.021076571196317673
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9959554672241211
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.028094392269849777
+O=NN(C(=O)N)C[Si](C)(C)C,0.9145134091377258
+Oc1cccc2c1cccc2,0.4976890981197357
+COc1nsc2c1cccc2OC[C@H]1CO1,0.9958227872848511
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.9639433026313782
+Clc1ccc(cc1)C(=O)Cl,0.9172228574752808
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.0012856867397204041
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.7132480144500732
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.933506190776825
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.9825255274772644
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.020854318514466286
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.9606897234916687
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.9340499639511108
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0022198923397809267
+O=Cc1ccc2-c1cocc2COC(=O)C,0.8441110849380493
+CSCNc1ccccc1C(=O)C,0.5933403968811035
+CC1(OC1)c1ccc(cc1)Br,0.7371479272842407
+N=c1nc[nH][nH]1,0.18889804184436798
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6547650098800659
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.7078127861022949
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9815433621406555
+Cc1c2ccccc2c(c2c1cccc2)C,0.6558782458305359
+CCCCCCCCCCCCCCCCCC(=O)N,0.03867005556821823
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.12782791256904602
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.0008806536206975579
+CCC(=O)O,0.1034780889749527
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.10117627680301666
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9983381032943726
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9110709428787231
+O=CNc1ccccc1,0.8496443629264832
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.4229734539985657
+O=C1NOCC1(C)C,0.3662188649177551
+O=c1cc(n(n1c1ccccc1)C)C,0.14588765799999237
+O=C/C=C\c1ccco1,0.33198586106300354
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7170296907424927
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.9243974685668945
+NC(C(=O)O)CSCCCl,0.921249508857727
+COC(=O)C(=C)C#N,0.03685261309146881
+C/C(=N\O)/C(=O)C,0.12307892739772797
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9951426386833191
+ONc1ccccc1C,0.7461858987808228
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.7051881551742554
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.7706323862075806
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.045463044196367264
+OCc1cccc(c1)[N+](=O)[O-],0.36550265550613403
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,0.015092398039996624
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.011171659454703331
+COc1ccc(cc1N)N,0.9803529977798462
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.1321132481098175
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9930844306945801
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.09970791637897491
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.8054801225662231
+OCCNC(=O)N(CCCl)N=O,0.9979991912841797
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.3316552937030792
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.9899479746818542
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8798100352287292
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.96058589220047
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7105322480201721
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.14777395129203796
+C1OCCO1,0.522743821144104
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.1422155350446701
+CCCCCCc1ccc(cc1O)O,0.028043139725923538
+Nc1ccc(c(c1)N)C,0.9593253135681152
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.9913169741630554
+Cc1cccc2c1cc1ccccc1c2,0.7648971080780029
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.04115549102425575
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.8491606712341309
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9295414686203003
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.6639820337295532
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.505278468132019
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.14276893436908722
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.4326969087123871
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.9190461039543152
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.08523868769407272
+CCN(C(=O)Cc1ccccc1)CC,0.15065784752368927
+S=c1scc(s1)c1ccccc1,0.30944451689720154
+COc1nncc2c1ccnc2,0.06006557494401932
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.008048959076404572
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.27179154753685
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.5098663568496704
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.027098828926682472
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.0020902235992252827
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.40436020493507385
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8649213910102844
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9760940670967102
+ClC#N,0.36814063787460327
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.07841236144304276
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.07779563218355179
+CC=O,0.368674635887146
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9756709933280945
+Oc1cccc(c1)N(C)C,0.36588308215141296
+CC(C(=O)NCc1ccccc1)Br,0.9811862111091614
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.9115912318229675
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.020418252795934677
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6200876235961914
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.44170522689819336
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.011642317287623882
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.17867086827754974
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.3280564844608307
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9120031595230103
+CCCCOC[C@H]1CO1,0.7504280805587769
+COc1ccc(cc1N)NOS(=O)(=O)O,0.9776939153671265
+CCOCCOC(=O)C,0.21030792593955994
+Clc1ccc2c(c1)oc1c2cccc1,0.3742891848087311
+ClCc1ccc(cc1)C(F)(F)F,0.14200614392757416
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9760940670967102
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.710077166557312
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.014817453920841217
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.5968946218490601
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7744317054748535
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.048443280160427094
+O[C@@H](c1ccccc1)[C@H](N)C,0.02958727441728115
+O1CCOCCOCCOCCOCCOCCOCC1,0.3364943563938141
+c1ccc(cc1)Oc1ccccc1,0.5351941585540771
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.053703673183918
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.9757976531982422
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.930419921875
+N#CCc1cn(c2c1cccc2)N=O,0.720302402973175
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8522617220878601
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.003548912238329649
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5849441885948181
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.08579164743423462
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9232743382453918
+CC1=Nc2c(C1(C)C)cccc2,0.5008746385574341
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17119476199150085
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.8530493974685669
+CC(N(C(C)C)N)C,0.5041134357452393
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.9615996479988098
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.5618055462837219
+COc1ccc(cc1)CCC1OC1,0.931721031665802
+CCNC(=N)N([N+](=O)[O-])N=O,0.8419917821884155
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.009268981404602528
+ONc1ccc(cc1)N=Nc1ccccc1,0.926002025604248
+C1CCC(CC1)NC1CCCCC1,0.08467480540275574
+ClC(=O)c1ccccc1C(=O)Cl,0.8366805911064148
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.039680130779743195
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.9658429026603699
+NC(=O)N=NC(=O)N,0.46934109926223755
+CCOc1ccccc1OCC1CNCCO1,0.1539701223373413
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9715068936347961
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9979560971260071
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.00018176910816691816
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9745119214057922
+CCSCC[C@@H](C(=O)O)N,0.1690203696489334
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.8092458844184875
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9849921464920044
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.6185535788536072
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9982842206954956
+COS(=O)(=O)C(F)(F)F,0.7861000299453735
+COc1ccc(cc1N)[N+](=O)[O-],0.9950079917907715
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.27801522612571716
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.3026381731033325
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9916030764579773
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.15237903594970703
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.9984947443008423
+CCN(C#N)N=O,0.8376282453536987
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.480806440114975
+CCN(CCCC(=O)O)N=O,0.9804351925849915
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.9068180918693542
+OCCNC(=O)[C@H](O)C,0.5204665064811707
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.023379765450954437
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9787662625312805
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.014267233200371265
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.7057864665985107
+OC(=O)CCC(=O)CC(=O)C,0.008705677464604378
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.9355483055114746
+O=C1CCCO1,0.17327359318733215
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.963322639465332
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9465566873550415
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3[N@@]4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.00011120429553557187
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.08826588839292526
+N#N=NCCC(c1ccccc1)c1ccccc1,0.9635908007621765
+C[C@H]1CO1,0.7488095760345459
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.022386202588677406
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.9304141998291016
+CCN=NC(OO)(C)C,0.9918605089187622
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.8544141054153442
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9957815408706665
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.6337376236915588
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,3.12573611154221e-05
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.0018674694001674652
+C=CCOC(=O)C=C,0.15613336861133575
+C/C=C/C=C/C=O,0.7735854983329773
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.9914965629577637
+O=Cc1ccccc1[N+](=O)[O-],0.6980798840522766
+OCCN(N=O)CCO,0.9754641652107239
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.8704463243484497
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.013510753400623798
+CNCC(=O)O,0.03813587874174118
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.005687978118658066
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.899331271648407
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.6022854447364807
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9714342951774597
+OCC12OOC2(C)c2c(O1)cccc2,0.8459855914115906
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.9770997166633606
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.5188199281692505
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.07375315576791763
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9697803258895874
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.7588364481925964
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.28523364663124084
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.8808339238166809
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.0306982584297657
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.5351853370666504
+ClCC(=O)OC(C)C,0.1302526891231537
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9942157864570618
+[O-][N+](=O)NC(=N)NC,0.9006603360176086
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.2005026787519455
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9760940670967102
+ClC(=O)c1ccc(cc1)C,0.9470365643501282
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.19136324524879456
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.0020896971691399813
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.7019857168197632
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.9342379570007324
+C=CCN=C=S,0.31428250670433044
+CCN=NO,0.9560484886169434
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.3253490924835205
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.13573169708251953
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9494274258613586
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.020345479249954224
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.007417558692395687
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.9141550064086914
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.001966830575838685
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.903481125831604
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.5866569876670837
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9391021728515625
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9801729917526245
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.22758392989635468
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.961460292339325
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.36065131425857544
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9796649813652039
+Clc1ccc(c(c1)C)O,0.15149596333503723
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.014864589087665081
+CCC(=O)NCc1ccccc1,0.660622775554657
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.873957633972168
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5478307604789734
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9934512376785278
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8232545852661133
+O=Nc1ccc2c(c1)cccc2,0.95635586977005
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.25541165471076965
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.2011517584323883
+OCC(CO)(CO)CO,0.20490112900733948
+CCn1c2ccc(cc2c2c1cccc2)N,0.9919636845588684
+Clc1ccc(c(c1)N)O,0.3002539575099945
+CCNc1ccccc1,0.690169632434845
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.20137877762317657
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.809742271900177
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.0341251976788044
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.3899696469306946
+C1CC[C@H]2[C@@H](C1)O2,0.12206462770700455
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.15011242032051086
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.8604900240898132
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9662200808525085
+OCC(Cl)(Cl)Cl,0.3133169710636139
+OC[C@H]1CCCO1,0.44452396035194397
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.011530180461704731
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.997654139995575
+C/C=C/C=O,0.7864507436752319
+CC(OC)CCO,0.28873324394226074
+OCC#CCO,0.561363160610199
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.0038015232421457767
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.004916212987154722
+O=NN1CCOCC1,0.9488603472709656
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],0.9365251660346985
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.9232808947563171
+c1cnc2c(c1)C1OC1CC2,0.30135583877563477
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.0011336018797010183
+S=C1SSC2=NCCN12,0.6455321907997131
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.024966862052679062
+Oc1cc2ccccc2c(c1)O,0.5217009782791138
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9765084981918335
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.16107329726219177
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.9524116516113281
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0.24047167599201202
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.024749362841248512
+O=CN(N=O)C,0.9346272349357605
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7413647770881653
+OC(=O)C(Cc1ccc(cc1)O)N,0.23169589042663574
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9370152354240417
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.6993325352668762
+ClC([N+](=O)[O-])Cl,0.5248008370399475
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.041298408061265945
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.437039315700531
+CC(=O)Nc1cnc2c(c1)cccc2,0.6101640462875366
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9945985674858093
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.0029081839602440596
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.9338238835334778
+C[N+]1(C)CCOCC1.Cl,0.03134046867489815
+C/N=N/O,0.9376460909843445
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9554712176322937
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.2619256377220154
+CC1CCCC2(C1(O)CCCC2)C,0.048132818192243576
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8644396066665649
+Cc1cccc2c1cccc2,0.6051801443099976
+Cc1ccc(cc1)/N=N/N(C)C,0.8706073760986328
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.05497727915644646
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.311027854681015
+CCOC(=O)C(C(=O)C)Cl,0.034115858376026154
+OCNC(=O)NCO,0.17324598133563995
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9634121060371399
+O=C/C(=C\c1ccccc1)/C,0.24977438151836395
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.8809157609939575
+NC(=O)N,0.3963414132595062
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.5253281593322754
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.32272058725357056
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.9390938878059387
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.33438539505004883
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9896548390388489
+ON1C(C)(C)CCCC1(C)C,0.4520495533943176
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.9741498231887817
+BrCc1ccccc1,0.16340288519859314
+O=C1NC(=O)c2c1cccc2,0.4392423629760742
+ClC1=C(Cl)C(=O)OC1,0.9122734069824219
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.2629086673259735
+CN=NO,0.9376460909843445
+Cc1ccc2c(c1)cccc2,0.48510342836380005
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.9580248594284058
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.720561146736145
+CCCC(C(=O)O)CCC,0.023948093876242638
+O=Cc1cccc2c1nccc2,0.17241200804710388
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9053818583488464
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.05245815962553024
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.716886043548584
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.29253020882606506
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9752039909362793
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.1808212399482727
+ON(c1ccc(cc1)Br)C(=O)C,0.4659959375858307
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.9133437871932983
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.9008623361587524
+FC(=C(F)F)F,0.43605750799179077
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.1981988400220871
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.07601380348205566
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9955657720565796
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9963001012802124
+Clc1ccccc1C(F)(F)F,0.026627162471413612
+Clc1ccnc2c1cccc2,0.422797828912735
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.169068843126297
+CCCOc1ccc(cc1N)N,0.8858858942985535
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.004936225712299347
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.6386076807975769
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.007108171936124563
+Sc1nc2c(s1)cccc2,0.08445842564105988
+CCCCCN(CCCC)N=O,0.9220307469367981
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9875814318656921
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9819738268852234
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.07237683236598969
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.8454345464706421
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9996128082275391
+NCCCN(CC)CC,0.20204515755176544
+NCC[C@H](N)C,0.02330734208226204
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.3286471366882324
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.028587307780981064
+C1CCC[C@H]2[C@@H](CC1)O2,0.12206462770700455
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.007456653751432896
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.6970722675323486
+OC(=O)C(CC(=O)c1ccccc1N)N,0.2445814609527588
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.056866563856601715
+NC(=S)Nc1cccc2c1cccc2,0.43202686309814453
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.7924798727035522
+Cc1cc(O)nc(n1)S,0.038144007325172424
+COc1cc(ccc1OC)C[C@H]1CO1,0.9715594053268433
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.08172833174467087
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.936844527721405
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9670713543891907
+NCCCNCCCN,0.25809311866760254
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.08571778237819672
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.03486497700214386
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.07573001831769943
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.886568546295166
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.17480728030204773
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.011833054944872856
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.03860603645443916
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.9762651324272156
+FC(C(F)(F)F)F,0.08769823610782623
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.005482478532940149
+CCNC(=O)CC[C@@H](C(=O)O)N,0.09917990118265152
+CCOCCOCC,0.14850865304470062
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.003705546259880066
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.07833993434906006
+NC(C(=O)NCC(=O)O)CS,0.8483250737190247
+C=COC(=O)C=C,0.07823562622070312
+OCCP(=O)(O)O,0.1365084946155548
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.9731498956680298
+N#N=NC(c1ccccc1)c1ccccc1,0.8280023336410522
+OC(=O)CP(=O)(O)C,0.06125430017709732
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.9810281991958618
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8654961585998535
+[O-][N+](=C1CCCC1)[O-],0.683326244354248
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.18089072406291962
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.046307407319545746
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9794535636901855
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.9616676568984985
+c1ccc2c(c1)cncc2,0.4306620955467224
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.23806194961071014
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.5704654455184937
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.03836343437433243
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.0096085574477911
+CCc1ccc(cc1)[N+](=O)[O-],0.7406989932060242
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9866671562194824
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.23386426270008087
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.05872070789337158
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.8318134546279907
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.0022883755154907703
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9953635334968567
+CCCSC(=O)Cl,0.03032066486775875
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7987386584281921
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.4706922471523285
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.6893170475959778
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.4420417249202728
+OC(=O)/C=C/C(=O)O,0.07004290074110031
+COC(=O)C12OC2(C)C(OC1=O)C,0.945173442363739
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.005512291565537453
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.6288781762123108
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9634017944335938
+CCCCc1cc(C)cc(c1O)CCCC,0.04644722118973732
+ClCC(=O)N(c1snc2c1cccc2)C,0.8551698923110962
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.9576595425605774
+N1CCN(CC1)c1ccccc1,0.2507362365722656
+OCc1ccc(cc1)NNC(=O)C,0.8898172378540039
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.00046734148054383695
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.2794386148452759
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9848707318305969
+O=C1N(C)CCCN1C,0.31265994906425476
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.7513982653617859
+ClCCSCc1ccccc1,0.5997126698493958
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9386045336723328
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.9509441256523132
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.06640012562274933
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.016199186444282532
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.011622341349720955
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.955512523651123
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.01840607263147831
+CCOc1ccc(cc1)NO,0.7680009007453918
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.0013814857229590416
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.000600679311901331
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.1273944079875946
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9107270240783691
+Oc1c2ccccc2nc2c1cccc2,0.6453091502189636
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.9753525853157043
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6288781762123108
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.008868569508194923
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.8999285697937012
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.09751474857330322
+ONc1cc2c([nH]1)cccc2,0.919643759727478
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.000506557640619576
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.010856401175260544
+O=NN(C(=O)c1ccccc1)C,0.9309850931167603
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.5187088251113892
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.5416026711463928
+O=Cc1ccc2c(c1)OCO2,0.13436873257160187
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.15787655115127563
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.9780583381652832
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.08805201947689056
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.32476723194122314
+CNc1nc2c(n1C)ccc1c2cccn1,0.9631478190422058
+Sc1ccc(cc1)[N+](=O)[O-],0.6788769960403442
+Cc1cccc(c1N)C,0.4568536877632141
+CCCCCOC(=O)C=C,0.006192096509039402
+Nc1ccccc1SCSc1ccccc1N,0.8783868551254272
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.8342739939689636
+ClCCN[P@]1(=O)OCCCN1CCCl,0.9875273704528809
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.01024587731808424
+CCOC(=O)CNC(=O)CBr,0.2974260747432709
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.22975817322731018
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.01569652184844017
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.0007802826585248113
+Brc1ccccc1c1ccccc1,0.3147028386592865
+CC(=O)OCc1ccco1,0.3561667501926422
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.16107329726219177
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.30647361278533936
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.017613913863897324
+CC(N)(C)C,0.23835261166095734
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9957057237625122
+O=Cc1cccnc1,0.06901097297668457
+Cc1cccc2c1nccc2,0.687194287776947
+N#CCc1ccccc1[N+](=O)[O-],0.1482207328081131
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.0005119151901453733
+CCON(C(=O)c1ccccc1)OC(=O)C,0.9889945983886719
+ClCc1ccc(cc1)C#N,0.2793811857700348
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.972454845905304
+[O-][N+](=O)c1ccccc1Cl,0.7592945694923401
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.364717572927475
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.993156909942627
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.17619140446186066
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.06634890288114548
+Oc1ccccc1,0.17012295126914978
+O=NN(C(=O)N)CCCC(=O)O,0.9297800064086914
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8737837672233582
+FC(C(F)(F)F)(Cl)F,0.049106620252132416
+CC(=O)NC(C(=O)O)CSCCCl,0.9431144595146179
+CNC(=O)Oc1ccccc1OC(C)C,0.10813580453395844
diff --git a/crossvalidations/mp2d/tensorflow/pred.lr2.v4_ext.csv b/crossvalidations/mp2d/tensorflow/pred.lr2.v4_ext.csv
new file mode 100644
index 0000000..4acb0a7
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/pred.lr2.v4_ext.csv
@@ -0,0 +1,8310 @@
+name,pred
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.3525605966972874
+O=S1(=O)CC=CC1,0.24944709547367813
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.980076721081258
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.5916176473748047
+C1CCCC2C(CC1)O2,0.15940591524129033
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9113529200138493
+N#[N+]c1nc[nH]c1C(=O)N,0.4094768393971853
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8811498557928858
+NC(=O)Nc1cccc2c1nccc2,0.6650195586197952
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.6124241398610303
+O=C(C1(C)OC1)NCc1ccccc1,0.795880921335183
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.04577881000131018
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.6557971580155814
+CCCCCOc1ccc(cc1)N=O,0.5555150637479603
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8586655470510497
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.70257715712922
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.70601989037568
+C=CC(=O)OCCCCOC(=O)C=C,0.04363690589691011
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.17243518638596336
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.982005231800519
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9972826904769252
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.23243466823152598
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.4688480275962536
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.19482214596336322
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.8443248262708739
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.15000002902107407
+OC(=O)[C@@H](CCl)Cl,0.16157985874319836
+N#Cc1ccc2c(c1)nc(n2C)N,0.9064376903175798
+Cc1c(C)cccc1N,0.6980745430488183
+Nc1cccc2c1cccc2,0.7553725374710222
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7885492450856217
+O=CCCN(C(=O)OCC)N=O,0.9356181408700002
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8515273787411684
+CCN1CCNC(=O)C1=O,0.24267178271621775
+CC1=NNC(=O)N(C1)N,0.24641343492124193
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9848987849440407
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.9969891693064057
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9995316371000922
+BrCc1cccc(c1)[N+](=O)[O-],0.7205029639554765
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.11851351200899328
+Brc1cc2cccnc2c(c1)C(=O)O,0.06554666047545357
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.16960762887125452
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.9235771881466697
+CCOC(=O)CCl,0.1585086430818061
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.9555940923342484
+CN=[N+](C)[O-],0.10513673237723585
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.3138573244053157
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.8033031847753183
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.11466441107225421
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.911227100981893
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.05918036398035034
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.49263955771983364
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.16378355989501786
+ClC(Cl)(Cl)Cl,0.33032066762969853
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.01729505739527972
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0.1795672658153979
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8679659168789972
+ClC/C=C/CCl,0.6840322395824271
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.7801486055455593
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.2886746820496481
+O1CCOCC1,0.3455812905830675
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.037159781281825136
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9487835916335006
+COc1nc(C)nc(n1)N,0.05508085984996067
+COC(C(Cl)Cl)(F)F,0.20315459684044185
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.575344642609091
+Cc1ccc(c(c1)O)N,0.47619616523655206
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.09157004308051142
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.08485453941175881
+CCCC(=O)c1cc(O)c(cc1O)O,0.17377315220258951
+CCCCCCC[C@@H]1CCC(=O)O1,0.019387161261302768
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.24938832256368632
+ONc1nc2c(n1C)ccc1c2cccn1,0.9743297719938924
+Oc1nnc(c(n1)O)C,0.24931773180376895
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.008255807617072126
+CC(=O)OO,0.35746391381969944
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.508682895396519
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.17716164507723622
+Cc1ccc(cc1)C[C@@H]1OC1,0.9339561743269352
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6860155100495863
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.07113774331768892
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.05926087543527346
+CC1=CC(=O)c2c(C1=O)cccc2O,0.7241629742661709
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9185946331190262
+NC1=N[C@@H](CS1)C(=O)O,0.12500671033355468
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.2073509244438218
+O1C[C@@H]1COc1ccccc1,0.9238421461500945
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.17858623224340303
+NCCCN1CCN(CC1)CCCN,0.24412081910051386
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.16110487084880476
+C[N+](Cc1ccccc1)(C)C.Cl,0.07891437129948677
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.015268420904326493
+O=NN1CC(=O)NC1=O,0.895916472095895
+CNC=O,0.32210760519087994
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9035285435726946
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.7042346594523387
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.5600655036735255
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.02597757510756676
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.058740766650423736
+C=CCN(CC=C)CC=C,0.10767634192834921
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.16144920534691293
+O=C/C=C(/CCC=C(C)C)\C,0.10561385615305062
+CCCCCCCCCCCCS,0.0808128567225526
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9699624972454957
+[O-][N+](=O)c1cccc(c1N)O,0.7838247949368706
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6138305740489651
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.0037958048477682517
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.9547747210012363
+CCC=O,0.22782125865665884
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.08500730757574734
+CCCCCCCCCC,0.06453877349922746
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.9541129335906243
+CCc1ccccc1,0.17998203495814594
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9604802791785881
+BrCC(=O)Nc1ccccc1,0.32876301069093145
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.01568211897304796
+CNCCCC(=O)O,0.03133605864937255
+CC(=O)[C@H](O)C,0.2407359096899379
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9883336147545035
+CC(OC[C@@H]1OC1)(C)C,0.9780690155153995
+CCCCC=C,0.1517582204870122
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.0842643770735316
+COC(CC(=O)C)(C)C,0.1531507883759072
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.9955704350465823
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.7480848234707503
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.03744120553473632
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.777096603392062
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9919734948736478
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.89484872067466
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.6982036751574218
+CCN(N=O)C=O,0.911679732020455
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.007466093981517549
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.45449680997999464
+CC(=O)c1ccc[nH]1,0.172346356368239
+NC(=O)c1ccccc1C,0.1359416636001266
+COc1nsc2c1cc(N)cc2,0.9003732602651844
+Cc1ccccc1Br,0.10433304559618166
+C1CCCN1,0.3867074443564154
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.08761394820667369
+O=NN(C(=O)N)CC(=O)O,0.9543300873887381
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.7221674072446286
+Brc1ccccc1,0.06338216987576743
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.11297775028081343
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9617932061252885
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.766908772766434
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9874257573336804
+CCCOO,0.7991857716390766
+CC1(CO1)C1CO1,0.9373478716601442
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.5525889259095411
+Ic1cc2cccnc2c(c1)C(=O)O,0.11484037427800357
+CONC(=O)Nc1ccc(cc1)Br,0.1054719542854267
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.014018007134696846
+N#Cc1ccc(cc1)[N+](=O)[O-],0.7841715293325606
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9295064035495948
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.17834065530608634
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.005404676866029748
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.8117475271772777
+COC(=O)CCC(=O)OC,0.19098610551816791
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.4897205277393318
+C[C@@H]1CC[C@H](CC1)C(C)C,0.14413445583893333
+CCCN(N=O)CCC,0.9743553363363244
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.5979498107991126
+Fc1ccc2c(n1)cccc2,0.6086924189867149
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7836594911951323
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9754333600248637
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.8105505915006955
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9954297663189688
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.02691802787981539
+N#C/C(=C(/C#N)\N)/N,0.3210364109553195
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.0020562399304376155
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.7907870636060154
+COc1cc(Cl)c(cc1Cl)OC,0.08321447143407594
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.03281969221865572
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.9283571375653994
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9903554849458542
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9846208768259248
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.9958747109651734
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.08001475134309614
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9022955739912515
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.08672075388480575
+O/N=C/1\C=C/C(=N/O)/C=C1,0.5303160052826293
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.20650245263381234
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.9152315073983831
+ClCC[N+](C)(C)C,0.3251185002453313
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.5581971870986684
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9908170718050572
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9532389044927682
+C1CC=C2C(C1)CCc1c2cccc1,0.5106692785895227
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.968663230267978
+ClCc1ccccn1,0.13746045543655128
+ClCC(=C)Br,0.7166064434875381
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.1506554999092566
+COCCOCCOCCOC,0.30793250559541463
+c1ccc2c(c1)c(OCC1CO1)ns2,0.9914746415883782
+Brc1ccc(cc1)[N+](=O)[O-],0.4636313523711045
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.8773218080589916
+Oc1ccc(cc1N)S(=O)(=O)O,0.02992662468915172
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.005457214216747285
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.9896488626356194
+C1CCC2(CO1)CO2,0.45073871456423975
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.0747911104426147
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.3483021584996501
+OC/C=C/Cl,0.6361635594660114
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.5932313411908875
+CCCCCCCCCCSCn1cc[n+](c1)C,0.5147214531828543
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3391431410034572
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.07595630454143602
+NC(C(=O)OC(C)(C)C)CN=N#N,0.9852007347948467
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9568558498020573
+CCCCCCCCCCCC=C,0.06426696536430085
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8748869658198222
+Cc1ccc(cc1)N(C(=O)C)O,0.7604060914911546
+CC(=O)n1cncc1,0.22777510210177832
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9783128735729686
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.8821513767593058
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7861850702167047
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.07721074795693482
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.19409876103461263
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6758170390555484
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.26096202358597204
+ICC[C@@H]1OC[C@H](O1)CO,0.949782885103678
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9441282885168449
+N#CC(=C(C#N)C#N)C#N,0.4491677292891712
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.5143580537416098
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9866223426292436
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9840657497501905
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9934008790593656
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.9386916640796031
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.2993575129441877
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.009584518541023657
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.43280386951829136
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12798289956544534
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9725177293597073
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.6056090285180565
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8899949439324966
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9464406070658917
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9651374423527209
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7724382498538597
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.939632746239255
+OC(=O)c1cccc2c1snn2,0.06478954443374291
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.021134124618436348
+NC(=O)NNC(=O)N,0.7180931685181412
+Nc1ccc2c(-c3ccccc3C2)c1,0.9538074354589736
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.8805564165493713
+CCOc1ccc2c(c1)sc(n2)N,0.5499917702577668
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.688665778869205
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.9872586956453816
+CN1CN(C)CSC1=S,0.15616731933429048
+O=Nc1ccc(cc1)Nc1ccccc1,0.8098739938281532
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.27536540478315213
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8816061598381443
+OC(=O)c1ccc(c2c1snn2)O,0.10259684110365985
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.009158612052822477
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.30499318676613624
+CCc1cnccn1,0.0345645614590555
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9422493094390771
+NCC1(C)CC(N)CC(C1)(C)C,0.05506445936719743
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.29711321197555607
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.19386481378124848
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.04118849474936817
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.01166563006913224
+OCCN1CCNCC1,0.21561882046244754
+COC(=O)c1ccccc1C(=O)OC,0.20720639974293747
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.05540471851178191
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.9238696160054486
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8811375251272254
+BrCCCCBr,0.8785539264400549
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9661711349613716
+O/N=C/C=N/O,0.33138249649656365
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.20997315881162384
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.7227281360937805
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.09498795983799554
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.9511288751165035
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.07830976321109463
+N#CCCC#N,0.26309818448585726
+Nc1nc2-c3cccnc3CCc2s1,0.24946766564272851
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.66991834385923
+CC(C(CCl)Br)Br,0.8727503509541563
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.012278210164041552
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.021663295301866944
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.960825855112724
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.07322698440360531
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.3061948191059955
+ClCc1c2ccccc2c(c2c1cccc2)C,0.8838784825934733
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.24184309259230388
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.0024110719411809855
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.546760063691155
+ClC[Si](C=C)(C)C,0.40102862368086306
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.7426212420998244
+O=c1[nH]cc(cc1N)c1ccncc1,0.672986132292686
+CCNS(=O)(=O)c1ccccc1C,0.04680779290401922
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.21664460582876308
+CSC(/C=N/O)(C)C,0.14363171014303097
+Nc1cccc2c1nc1CCCCc1c2,0.8748357005310893
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.13802106687962326
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.8702788363997259
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9669528714027441
+COc1c2ccc(cc2nc2c1cco2)O,0.7341395914118388
+CC(=O)Nc1ccnc2c1cccc2,0.46367183517564525
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.39662789279175453
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.872043404288221
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.7770131429400764
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0018513599341561224
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.009804996005531062
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.3630655913463919
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.9397270880824872
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.03010237480826842
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.060221076683915215
+CNS(=O)(=O)c1ccc(cc1)N,0.3206638419328989
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.028895744524163398
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9811437636875007
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.03366371802732023
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.8906622090741568
+CC1=CC2CCCCC2c2c1cccc2,0.33599816675581207
+Clc1cc2ccccc2c2c1cccc2,0.7743154162724302
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.5941975373875308
+C=CCc1ccc2c(c1)OCO2,0.2975628732613249
+CCc1cc(cc(c1N)CC)c1ccccc1,0.5753270961528447
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9764251227917156
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.011958582489310813
+O=c1c2cccc3c2c2c1cccc2cc3,0.7290658734758304
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.8707595407603317
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.007882227000108186
+O=CC[C@H](CCC=C(C)C)C,0.11243022403238218
+ONc1cccc(c1)C,0.6995924589120055
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.9691133914125444
+OC1=C(O)C(=O)C1=O,0.24495862646430477
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9025892192963849
+Cc1ccc(cc1)CC1OC1,0.9339561743269352
+OC(=O)C[C@@H](C(=O)O)Cl,0.07281025946284099
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.06194894498513604
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.9754958098922623
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.05103000762869431
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9951568300356048
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.02793355060064379
+C1CCC2C(C1)CC1(CC2)CO1,0.08761879203966158
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.805138060162762
+NCCCN,0.3746990586124542
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9123848123025365
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.005446788021746899
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.04787941419740355
+OCc1ccc(cc1)F,0.18108919835777826
+FC(C(C(Cl)(F)F)(F)F)Cl,0.05965940854067319
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.08260057129787143
+CC(c1ccc(cc1)C(C)(C)C)O,0.02151999364641323
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.025885309750016763
+Cc1cc(C)cc(c1)N,0.3718332214178535
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.05378961712744989
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.955879014812382
+NC(=S)Nc1ccccc1,0.3771051292689055
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.8315317662545331
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.9284043643971434
+CCc1ccccc1[N+](=O)[O-],0.41336267785765707
+NC(=O)CNC(=O)C=N#N,0.7348462464111074
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.6831376901490555
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.46387589453294853
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.052221235160753755
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.45928670731415666
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.9530761766014069
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.154537306666953
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9988747175291766
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.04493125717858403
+N#CC(O)(C)C,0.15968557259648986
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.012653274247665092
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.3043527901002148
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.09616516170485144
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.9320447496615871
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.6582779748337028
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.7730331593391152
+Clc1cccc2c1cccc2,0.4105353072034624
+CCN=[N+](CC)[O-],0.10248648525805341
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9226419564879901
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.318246318837769
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.3734144072177186
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8182106907396581
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.16444850739244368
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.0041963345930386775
+OCCc1c[nH]c2c1cccc2CC,0.26289374015139155
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.45791303634633973
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.07389133629610868
+Cc1cc(N)c(cc1N)C,0.5753423883618042
+CC(=O)c1cccn1[N+](=O)[O-],0.4146671895649303
+C[N+]1(C)CCOCC1,0.06791332297402508
+OCC=C(CCC=C(C)C)C,0.020985164604666862
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.12576818070226808
+Oc1ccc(cc1)Cc1ccccc1O,0.09104189006597009
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8373866205266207
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.009620216993744452
+Nn1c2ccncc2c2c1cccc2,0.5354411319667985
+CC(=N)S,0.29628138985895136
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.0007177672439169399
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.7958035210883274
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7580809161203778
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.19449778653410382
+C=CC(=O)NCNC(=O)C=C,0.3764382234530685
+OCC[C@H](CCC=C(C)C)C,0.0718817041548269
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.15796937406568015
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.007659149715601219
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.03836237875206456
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.9841891997304971
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.8853214912185947
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.05011511157368779
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8869035413907024
+n1ccc(cc1)c1ccccn1,0.17625647931930954
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.1687399040255591
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.054076413235675976
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.9784733153783166
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8823445453973766
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.835836960759023
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.15784930357789997
+O=CCCCC=O,0.16210364507437083
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.9787197319477741
+CC1CS1,0.2169993065844045
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9734021610153181
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.052755439809892085
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.0011604856187783252
+OOC(c1ccccc1)(C)C,0.6389589711401594
+COP(=S)(SCC(=O)N(C=O)C)OC,0.5114581566748154
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.23344547283836978
+CC1OC(C)OC(OC(O1)C)C,0.4110455348419
+NCCS,0.542848817032712
+CCCCCCCC1CCC(=O)O1,0.019387161261302768
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9821307598696287
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.4026610099729006
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.13699142480198065
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.19438917328725666
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6113492969727446
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.4944578515021457
+CC(OC(=O)CC(=O)OC(C)C)C,0.1475261890330695
+COc1cccc2c1C1(C)OOC1(O2)C,0.6974419593821388
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.006617198978653492
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0.17992450860694162
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.9965725059555259
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.983457117817486
+COC=O,0.33939725836070267
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.38611985039622093
+ClC(=O)CCc1ccccc1,0.8119086975254087
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.02547408122220229
+ClCC=O,0.5189428672607049
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.9889465856094458
+ClC(C(=O)O)Cl,0.38093752875015174
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9898685253867356
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6993649347424548
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.564542883351228
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12798289956544534
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.09897965594045331
+ClCC(CCl)Cl,0.7503393361011783
+Clc1cc(Cl)c(c(c1)Cl)N,0.44919376267921723
+c1ccc2c(c1)cnnc2,0.6376319653031549
+CN(/C=N/c1ccc(cc1C)Cl)C,0.1314816145279331
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.974625826980078
+O=C1c2ccccc2-c2c1cccc2,0.629191249771657
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.9391509310298857
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9928700073223921
+C([C@@H]1OC1)Cc1ccccc1,0.8462471699510701
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.6317792784726035
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9618980213437061
+ClCc1ccccc1,0.3033643723252579
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9821765562824261
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9237877014932888
+O=c1c2ccccc2[nH]c2c1cccc2,0.76242093290622
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.35905960448984636
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9709519986836154
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9617274090884806
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.491620001517957
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.05096126712544353
+Nc1nc2c(n1C)ccc1c2cccn1,0.9661796727956957
+OCc1ccccc1,0.13718067862512204
+ON1C(=O)CCC1=O,0.43781511018252195
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.934074343753712
+[O-][N+](=O)/C=C/c1ccccc1,0.17754377164410098
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.9934458247081162
+Nc1ccc(cc1)O,0.6024204623820134
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.8201490059016315
+O=S1CCOC(=C1C(=O)N)C,0.5363215075009102
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0.2385643898379746
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.7614392695461443
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.014284527093568285
+ClCC[N+](CCCl)(C)[O-].Cl,0.694798421614061
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9222055772581635
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.017739460322090096
+OCC(C)C,0.08157817670142063
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.706644212368679
+Clc1ccc(c(c1)N)Cl,0.6518961156619749
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.013386538750991736
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.06903787397119145
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9359112444100716
+OCCNC(=O)C(O)C,0.4884624417847842
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9578577250647456
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.006863671246691414
+COc1cc(N=Nc2ccccc2)ccc1N,0.9846744991913865
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.24383088500773714
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.04750019693751721
+Clc1ccccc1,0.12711181786382086
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.7304429946726297
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.9848682493018631
+n1ccncc1,0.13608977062961014
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.0520006983552222
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9947001138045977
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.8099380689561869
+CC(CN(CC(C)C)CC(C)C)C,0.18325838134180839
+OCC(C(C(C(C=O)O)O)O)O,0.4140851232667584
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5840019755929153
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.7525946088679181
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.023116756923169987
+OCCC(CCC=C(C)C)C,0.0718817041548269
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.6516886698903191
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.08638902130697496
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.7322285680044152
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.9811966224231915
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.948719362347811
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.04646578028095911
+CCCCCCCCCCCCCl,0.12902046181660368
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.31953318930795227
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.2974991822720373
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9783850223150151
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.4813209432468012
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.9262892701682763
+Cl/C=C(\C(Cl)Cl)/Cl,0.9070893300541303
+NNc1scc(n1)c1ccc(cc1)N,0.9569458259603815
+c1ccc(cc1)CN1CCN=N1,0.5673028668657476
+BrCc1c2ccccc2cc2c1cccc2,0.8517497426521093
+O=C1CC(=NN1c1ccccc1)C,0.25130781857065143
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9937679738881422
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.03294944021559853
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9996677917657315
+O=CC(C)C,0.20011209705545918
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6369622802746111
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9685661948774776
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.0082818250040382
+O=C(C(Br)(C)C)NCc1ccccc1,0.2214222503309345
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.025499769337035825
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.8898773571793668
+Cc1c(C)cccc1O,0.19151165701254577
+NC(C(=O)O)CSC(=O)NCCCl,0.7914845341600646
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.24286742758790147
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.1143168621760634
+CCCCN(CC(=O)CC)N=O,0.9112245990303198
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.05751590272639389
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.05481561181736446
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9068105259555853
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9634878907755519
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.7388984937216343
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.6565764743590559
+Cc1ccc(cc1)N=NN(C)C,0.8626139271165856
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.0047618319856146465
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.6596145051402743
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9764078388539703
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.7143952217150316
+ClCN1C(=O)c2c(C1=O)cccc2,0.39517319545612456
+c1ccc(nc1)c1cccnc1,0.16790078780860204
+NC(=O)c1c(Cl)cccc1Cl,0.16849823811658743
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.8515255812251982
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9579039918160764
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9081705449176787
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8205112934528007
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.18703086210615155
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.03184599960880844
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.996253373148976
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8991632811951809
+Clc1ccc2c(c1)nsc2N,0.6898870674180951
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.0013764381413228952
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.43341574051137965
+O=C1C(O)CC(N1C)c1cccnc1,0.03630500114835819
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.7104310955589535
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.8377484258671609
+CCCCN,0.2052094057665374
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.03054671697944937
+C/C=C\c1ccc(c(c1)OC)O,0.1944962273016021
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6416715162231507
+S=c1ssc(c1C)c1cnccn1,0.15508465718644807
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.521189997579252
+O=NN(CC(=O)C)COC(=O)C,0.9432601754592774
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.16233779214226796
+CN(NC(=O)CCC(=O)O)C,0.07892868901473465
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.014098380669869707
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.12286437720418668
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8636553296389282
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.9122312795746423
+O=c1ccc2c(o1)cc1c(c2)cco1,0.46951951537989195
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8027404753748458
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.2992755678616055
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.3326658630390701
+OCCc1ccc(cc1)N(C)C,0.5872693144583396
+CN(CC(=O)O)C.Cl,0.05502153168848994
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9069535338294551
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9008013978091006
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.9787197319477741
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.25055649682497677
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.4765142020742228
+CC(OC(=O)C)C,0.3684229576206924
+CCOc1cccc2c1nccc2,0.44188507826173395
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9871901831174544
+CCOC(=O)[C@@H](O)C,0.2573186205685746
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.8078766394735638
+NNC(=O)CNC(=O)C=N#N,0.8115584795522219
+O=Cc1ccc(cc1)O,0.08535090327203383
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.037029609999055156
+Cc1c(N)cccc1Cl,0.46451794080111397
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9953023800406212
+COCC(=O)O,0.08616993679353456
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.087769841397429
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9941063412865243
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.7933131364020015
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.7283160273951967
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.04084514686572626
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.9816466694539666
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.07227412112158896
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6906089438731897
+N1C2C1c1cscc1-c1c2csc1,0.8637288334624077
+CCCCN(CCCC(=O)O)N=O,0.8619666380306849
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9103715948845875
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.5014141867971078
+OCCN(C(=O)OCC)N=O,0.968046564510642
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.013794492333020965
+Nc1nc(NC2CC2)nc(n1)N,0.22201276192087085
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.3945293761153629
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9453361739387371
+ClCC(CBr)(Br)C,0.4517473249251339
+Cc1ccccn1,0.11020817334570868
+CCCN(C(=O)N)N=O,0.9748801919812372
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.13006122606449352
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.04480260866553161
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.031311197365472235
+Fc1ccnc2c1cccc2,0.8158532853070903
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.71123108175582
+NC(=O)c1cnccn1,0.06250566149822823
+FC(Oc1ccc(cc1)N)(F)F,0.7236127996971823
+[O-][N+](=O)c1cccc(c1C)N,0.9172922694186046
+OCC(CO)(C)C,0.10630446157149227
+O=NN(CCCC(c1cccnc1)O)C,0.8349506211071019
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9751966948955841
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.8422287579772101
+O=C1C=CC(=[N+]=[N-])C=C1,0.5025889091147157
+Clc1cccnc1,0.018682605909414153
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.061603361176906846
+O=NN1C[C@H](C)C(=O)NC1=O,0.900744596415311
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.0021696885144534403
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.09646836396469725
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.7497266135160168
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.6649352908649866
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8330117722957112
+[O-][N+](=O)c1ccccc1C(=O)N,0.6870704689497917
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.24163790242370928
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.02993126371027343
+COP(=S)(OC)Cl,0.34397417259071866
+ONc1cnc2c(c1C)nc1n2cccc1C,0.9281195048975487
+OCC#N,0.24331628600587143
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9879183245557136
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.37135983527115946
+NC(=S)c1c(Cl)cccc1Cl,0.168683129411737
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.9225066655431742
+OC1OC(=O)C(=C1Cl)Cl,0.9238696160054486
+OCCN(C)C,0.31641662846418706
+O=Nc1ccc(cc1)N(C)C,0.9554218054253294
+OCc1cccc(c1)Oc1ccccc1,0.3110899137359407
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9966940262940949
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.009786746140332344
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9677771391917812
+Nc1cccc(c1)N,0.8859765092979177
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.6793303758582212
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.8882308530956976
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.014788437953578504
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.9463434185266819
+Oc1cnc2c(c1)cccc2,0.5569911637908134
+CCCCCN,0.09017868850025962
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.7748446434383317
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.595021212591209
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.8949876632119327
+O=CN(C)C,0.2797555041969551
+C=CCc1ccc(c(c1)OC)OC,0.23338682345439046
+O=NN(C(=N)N[N+](=O)[O-])C,0.9650483647610025
+COc1cccc(c1C(=O)N)OC,0.3215628456665148
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9862825250293838
+NN(Cc1ccccc1)Cc1ccccc1,0.42162243578801445
+Cc1ccc2c(c1)nn[nH]2,0.419193181631651
+c1ccc2c(c1)cc1c(c2)cccc1,0.6422611091155475
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.8664260900310062
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.8036373540106003
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.619776274203926
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8249328260558115
+OC(=O)c1cc(Cl)cc(c1)Cl,0.04972021859770819
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9438372811996074
+Nc1ccc(c(c1)Cl)C,0.4426674107522034
+COc1ccccc1O,0.3398063623812299
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9897953502264346
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8651203486346684
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.053197775354564214
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9515562615575713
+CCCCCCCCCc1ccc(cc1)O,0.03467568785929985
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.008104463048331961
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.954160331764769
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.06086033488575391
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.06907721211067996
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.3483225960938479
+Oc1cccc2c1nccc2,0.5506673345393196
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8868508109191234
+Nc1ncnc2c1ncn2C,0.7124303162692148
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.11881361319647857
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.8908768470668198
+CC([N+](=O)[O-])(C)C,0.4819923908415621
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9621695349104755
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.3630988031359411
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.02089152744913264
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.8435658084050656
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9907673162317697
+Nc1cccc(c1)Cl,0.613163688351958
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.813424678980306
+Clc1ccc2c(c1)nc([nH]2)C,0.1070454756940295
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.9821445259095991
+Oc1cc(Cl)c(cc1Cl)O,0.03606282621407378
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.8268320397196296
+Cc1cccs1,0.32481460213010993
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.10609589785032474
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.040700115128556535
+O=NN1CCN([C@H](C1)C)N=O,0.9662241239598723
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.679291323089211
+OCc1ccc(cc1)Cl,0.07827463943411242
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7552776744361014
+CCCN=NC(OO)(C)C,0.6817126311496821
+CCN,0.4008295347330408
+NC(=O)C=C,0.3132345935402837
+CC(Br)Br,0.34634671962919017
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9138167015526985
+CCP(=O)(OCC)OCC,0.19560685042520706
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.8816438946596107
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.012462734199326015
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.976615071417761
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.059010191885867674
+CCC/C=C(/C=O)\CC,0.18831039400928165
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.9717558298740012
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.9056169189391787
+COc1ccc(cc1)OC,0.4549875206521478
+ClCC(=O)CCl,0.4641431062253533
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.01886445822823792
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.9518271938279059
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.983457117817486
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.7843507532857337
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.8385859792471246
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.00160407267073858
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.08340190909360096
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.2448729200011039
+CC(=O)CC(O)(C)C,0.06852092071150136
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.9977876110654903
+Oc1ccc2c(c1)cc[nH]2,0.45480113509415654
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9904538994086033
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.36176635110787675
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.990770942947688
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.023248514625393825
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.9277796366498037
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.9845688810052047
+CN(C#N)N=O,0.8279123634359048
+NCCCN(C)C,0.29714088803174976
+C[C@H]([C@H](O)C)O,0.13315079156965137
+O=C1CCC(N1C)c1cccnc1,0.02460006703104263
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.09996345246797121
+COc1ccc(c(c1)C(C)(C)C)O,0.02641455365016333
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9646141176582644
+C[C@H](CNC[C@H](O)C)O,0.23109276385638772
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.005975606857406666
+C[N+](CC1OC1)(C)C,0.7485414307349028
+Cc1nccc2c1[nH]c1c2cccc1,0.7019726773537703
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.08093281281377264
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.018336073250192274
+OC(=O)CN(CC(=O)O)CC(=O)O,0.06627081056734947
+[O-][N+](=O)OOC(=O)C,0.2965774521373931
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.5756258741736521
+IC(I)I,0.33032066762969853
+CCCO,0.09469256639546712
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.9967227844867209
+Clc1ccc(cc1)Br,0.03488433903747658
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.9784733153783166
+C=Cc1ccccc1Cl,0.18206442981473533
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.0287553410196333
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.026236925842886963
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.7913014605669817
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.5168573947050054
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.10433265704016333
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.904797108575382
+BrC(C#N)Br,0.2196324125120945
+O=NN(c1ccccc1)c1ccccc1,0.8419735773278519
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.9864555391371691
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0.050913634749057295
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.02476351599189775
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9869145518349541
+C[C@@H](ON=O)CC,0.6722245217950351
+O=NN1CCC[C@@H]1c1cccnc1,0.9029339157630857
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.6808956776778999
+Nc1nc2c(n1C)ccc1c2cncc1,0.9305670578418126
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.5039988993220685
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9304292989857155
+ONc1cnc2c(c1)nc1n2cccc1,0.9286933080517475
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6148357563934673
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.004745030919715923
+Nc1cc2ccccc2c2c1cccc2,0.9119904268074532
+Nc1nc(N)nc(n1)Cl,0.06653331655508475
+Fc1cccc2c1ccc1c2nccc1,0.7607447830782756
+c1ccc2c(n1)cnnc2,0.48934802401350924
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.799121906693659
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.07467252511731133
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9928025016740447
+OC(=O)c1cccc(c1)C(F)(F)F,0.03039438363241431
+CCOC[C@H]1CO1,0.8552539495058243
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.15800072479485597
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.5600655036735255
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.8751366001047525
+Clc1c(Cl)ccc(c1Cl)Cl,0.06789032425090673
+NNc1nncc2c1nccc2,0.7985907392542306
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.361982867845003
+ClCC1=C(Cl)C(=O)OC1,0.9741247193511543
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9797759449968061
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.891457087015814
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.6003336260452172
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.9370291105228141
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0014962030352805341
+O=CC(Cl)(Cl)Cl,0.5209606106591812
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.2030503879155541
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.06397079294158865
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9195255500935601
+CCCCCN(CCCCO)N=O,0.9138520850802879
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.022368161094522554
+ClC(c1ccccc1)C(=O)Cl,0.8466037091052682
+N#C/C=C/C#N,0.2652170058570801
+O=Cc1ccccc1C,0.10498088883831125
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.034913428576812566
+OC(=O)C(Br)(Br)Br,0.11277769666137544
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.4244106219119054
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.028444023806340323
+ClCCN(CCCl)C,0.6609827460984371
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.0565648880402412
+CC(OS(=O)(=O)C)C,0.9482670632593336
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.884032426856684
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.11481856666772196
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.5263191803014202
+N#CCC[C@](C#N)(CBr)Br,0.7115538044865146
+ClC([N+](=O)[O-])(Cl)Cl,0.5523326733182723
+C1CC[C@@]2(CO1)CO2,0.4501985480779289
+CCCc1cc(O)nc(n1)S,0.010608923923933847
+Cc1ccncc1,0.10589061098660982
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.7212508881876467
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.8991899373444352
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8483806813373359
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.985040765608293
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.3557817381621371
+CC(=C)C(=O)O,0.1238833329227589
+O=C=NC1CCCCC1,0.0894078717696597
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9890275232968785
+Cc1ccco1,0.07327347775179385
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8808315922426921
+CSSC,0.3169139121211268
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.7552382891116831
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.8384688367815941
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.0028431465318837844
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.7419887535402307
+C[C@H](COC[C@H](O)C)O,0.4447027832837113
+Nc1ccc(c(c1)C)C,0.4858901519406661
+c1ccc2c(c1)nccn2,0.2897844760685163
+NC(=O)c1ccccc1O,0.250762866882863
+Cc1cccc(c1N)C,0.40192335345163727
+Oc1ccc(cc1)[N+](=O)[O-],0.7130730924411588
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.04291584033869402
+OC1C=CC2C(C1O)O2,0.46941874043456133
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9432126804426705
+C/C=C/c1cc(OC)ccc1OC,0.6501152925050796
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.03662502811490248
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.8721169039539495
+C=C=O,0.3169139121211268
+CCCCCCNCCCCCC,0.08481919145180708
+ClCc1cccc(c1)CCl,0.4240700587492277
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.5129926260977078
+OCc1c(CO)cnc(c1O)C,0.04180042002024438
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.619458780731695
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.993327509567215
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.7139025122607268
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.08217503778697509
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.03148396565632927
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.922710704371079
+C=CCOC(=O)COCCC(C)C,0.03509419976164594
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7998670267577807
+Cc1c[nH]cn1,0.2768488363779201
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.24154162685834396
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.008069783274026823
+Cc1cc(C)c(c(c1)C)C,0.2341069936760351
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.9577977902488827
+Nc1c(C)cccc1N,0.5717151338862896
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.4578589604059805
+OC(=O)COc1ccc(cc1C)Cl,0.044089068342370585
+C=COc1ccc(cc1)[N+](=O)[O-],0.8968253448982462
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.7868232991303175
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8527378822728497
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.01605319005170433
+CCCCN(CC(=O)C)N=O,0.8839078985520816
+ClC(=O)c1ccccc1,0.8220187926959259
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.7527911560985108
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.5765230253339106
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.035241283606913594
+Cc1cc(C)cc(c1)O,0.13315004714419393
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.37985967081484584
+Nc1ccc(cc1)CCc1ccccc1,0.7453642149192815
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.2184058109625138
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.9932576720545255
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.057274430504140585
+OCCN(C(C)(C)C)CCO,0.45176698645637026
+CC12OOC2(C)c2c(O1)cccc2,0.8640869763921225
+Nc1ccc2c(n1)c1ccccc1cc2,0.8494411633537498
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.9714780520179368
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.31041215524671395
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5852840740317431
+O=NN1CCCCCCC1,0.9760529808232083
+O=C1C=CC(=O)C1(Cl)Cl,0.3500426747825675
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.009990811682036343
+O=S1(=O)CCCCO1,0.8556975316110137
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.8809495021210354
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.8708333453387085
+ONc1ccc(cc1)C,0.851725143671922
+ClC(=C(Cl)Cl)Cl,0.4966053855696461
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8086852964036555
+OC(=O)Cc1cccc2c1cccc2,0.4702831440702298
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.8972139272742826
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.046841449328824655
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.40214624614051764
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4890313377438631
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.03029328517569465
+ONc1ccc(cc1)Cl,0.8163231159239461
+CC(=O)Nc1ccc(cc1)C,0.3541097768620866
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.8370441428258882
+C1CCSCS1,0.33310107269628875
+Cl/C=C(\SCc1ccccc1)/Cl,0.8221359097708639
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.9822987082638632
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9743158612551697
+Fc1c(N)cc(c(c1Cl)F)Cl,0.4673181708243541
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9100149539941152
+CC(=O)c1ccc2c(c1)cccc2,0.4135438351676817
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.04340893651804687
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.42045304671596934
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.06864288688514725
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.4011278204772421
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.14220276286749345
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.27935171386909546
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.10660473505821755
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.008790811629016924
+O=CCC(C)C,0.1720360247795729
+O=C([C@]1(C)OC1)NCc1ccccc1,0.8297406983478058
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.603333882598204
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.4292665798038795
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.18395071603299523
+CNC(=O)c1cccnc1S(=O)(=O)N,0.05727590341660392
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.8859203685107474
+OC(=O)c1cccnc1,0.09426424251149014
+N#N=NCC1OC(O)C(C(C1O)O)O,0.9474306280175608
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.9679329814080202
+CP1(C)NP(C)(C)NP(N1)(C)C,0.3169139121211268
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.2584408307903374
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.9919742891493694
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.25820927556667767
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6781684773022564
+CCCCCC(=O)OCC,0.03135259540701012
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9649044709701475
+COC(C)(C)C,0.5949741637587156
+O=C1NS(=O)(=O)Cc2c1cccc2,0.2404563578036909
+OC(=O)C1OC1C(=O)O,0.0846802689002551
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.1700747845079197
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.25968667724879363
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.7468326856769208
+OCCCCCCCCCCCCCCCCCC(=O)O,0.03550032171945974
+[O-][N+](=O)c1ccc(o1)CNCCO,0.9588935896912243
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.07221623033066399
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.16446493725523056
+FC(C(Cl)(Cl)F)(Cl)Cl,0.3169139121211268
+ONc1cccc(c1)c1ccccc1,0.9471581177379547
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.9207167803610206
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9354268022500167
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.881821509973996
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.30043862498389406
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.005761976462198346
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8432949149021679
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9594194560702473
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.27822987546407335
+BrCC(=C)Br,0.6979338600293092
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.11413388468933695
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.9870403361952059
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.3304914906356962
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.20784396731114138
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.8393887186886118
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,0.08087019935382264
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.2970270955080229
+Nc1cccc2c1c(O)nnc2O,0.36304676041773654
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.18613279159946874
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.7955243541563234
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.028311084435521543
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.943722667764595
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.20618866197050537
+FC(C(C(F)(F)F)F)F,0.05867320238582374
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9043278552970626
+O=Cc1ccc(cc1)C,0.06939304213362633
+Nc1cccc2c1snc2,0.8737605924199768
+Oc1ccnc(n1)O,0.12139482667342477
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.08119290177550383
+c1ccc2-c3c(Cc2c1)cccc3,0.688965986829962
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.15991323143622735
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8325864669309759
+Clc1ccc(cc1)[S@](=O)C,0.06355375248916151
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.5740129161271061
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9483920815314407
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.07141834314643225
+OC[C@H](O)C,0.20793563519194083
+OCC(C(C(C1SCCN1N=O)O)O)O,0.7794232587145087
+Nc1[nH]cnc2-c1ncn2,0.5162367576023779
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.7663307010480883
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.11103026138638819
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.03553958278387522
+c1scc(n1)c1nc2c([nH]1)cccc2,0.7839001763586901
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.8618438155188345
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.5611222340684966
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.4855882268241516
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5657181786254336
+OCCN(C(=O)Nc1ccccc1)C,0.1193194919496216
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.03233302250934819
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.03589109035245551
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0.14220276286749345
+COC(=O)N,0.7800376185464463
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.04412762673936896
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.9379918395205249
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.24139527212010606
+N#CCCNCCC#N,0.1865132970063879
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7434951873870383
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.11185283981966222
+OC(=O)CC(=O)O,0.11243180804652138
+Clc1ccncc1,0.11864482085139874
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.1900909728561534
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.42439392272389487
+CCCN(C(=O)SCc1ccccc1)CCC,0.08460927639314815
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.10005112637740443
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.480356810589341
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.019299512912364918
+ON=C1CCCCC1,0.41293034946647517
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.3720347805996122
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.9735890321476882
+NC(C(=O)O)Cc1ncn[nH]1,0.06436185165848583
+OCc1nc(N)nc(c1)C1CC1,0.02035231059834766
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.08303887786594895
+CCCCCCC(=O)OCC,0.03135259540701012
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.5279541892010994
+OCCCc1ccccc1,0.27209367883023944
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.07280193736083887
+CCOS(=O)(=O)c1ccccc1,0.7164296481071617
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9478703659676893
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.2588698525417432
+ClCc1ccccc1[N+](=O)[O-],0.5807291714752868
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.0012814840246369332
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.878811418066965
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.042693312156492046
+CCCCB(CCCC)CCCC,0.12209159594681161
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.9670228224084275
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.5421572498313648
+Cc1ccc2c(-c3ccccc3C2C)c1,0.8175606840909473
+ICCc1ccccc1,0.4452593425175533
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.011554936042452705
+OCCC(C)C,0.12315495110022157
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.00012918045666080437
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.9029096668550507
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0.033824212024080834
+Cn1sc(cc1=O)Cl,0.502048896937628
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.0033054965901983583
+S=C=S,0.3169139121211268
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.942825640940745
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.8806664940465495
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0.12404584738992817
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.026383985501757003
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.09163296137884627
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.8620908961419487
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8421594080991565
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.9351806918440552
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9967946612190871
+CCCC=O,0.2939070389628044
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.878811418066965
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8920570335773831
+COc1cc(N)c(cc1N)OC,0.9123569870060565
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9577362864461128
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.9758963433369706
+O=C/C=C/c1ccccc1,0.464475530246676
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.4149733474982456
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.4259224155521008
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.08235155416280122
+CCCC/C=C/C=O,0.7396299277696681
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.4449954082878589
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9597743155168272
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.9621785284822121
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.981314486556979
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8629126157822129
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.3387932669688938
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.9426201099473065
+O=NN(Cc1cccc(c1)OC)C,0.8664907910595461
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.946219525887258
+OC(=O)CN=N#N,0.7271792362575852
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.962726988345253
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.0622677279710708
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9967657617552991
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.9318680191625965
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.9456521059325791
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9874588028118803
+COc1ccc(cc1)N,0.7943339927492153
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.060564162245960354
+N[C@@H]1CC[C@H](CC1)N,0.13324498551993483
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.4661631692435253
+[N-]=[N+]=NCc1ccccc1,0.8832892385011252
+O=C([C@@H]1OC1)Nc1ccccc1,0.8566083017465151
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.2970337495134971
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.11446309915992307
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.41698520608351164
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.1254501653197539
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.7984175417274021
+COP(=O)(SC)SC,0.1677453517193138
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.9443866602021003
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.25965681494734505
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.17813914756403504
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0011664180514292116
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.9964612377743084
+C(Sc1ccccc1)CSc1ccccc1,0.2638347877800402
+O=C1CCCCC1,0.20124749536926667
+O=NN(Cc1cccc(c1)C#N)C,0.753626339796896
+OC(=O)CNCP(=O)(O)O,0.030152432746780984
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.16311394838022644
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8527378822728497
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9979067515758399
+COc1c2oc(=O)ccc2cc2c1occ2,0.5697338788063484
+O=C/C=C/C=C/C=O,0.7422671559990143
+ON(c1ccccc1)C(=O)C,0.7899465858944229
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.8604090232053919
+Cc1cc(=O)[nH]o1,0.12323277159299151
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9878179698119184
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.8961535598730854
+CCCOC(=O)c1ccc(cc1)O,0.004257957243077088
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9351023302226708
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.9463924508629814
+BrCC1=C(Br)C(=O)OC1,0.9089902295441763
+ClC(C(=O)C)Cl,0.5181598035667997
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.03394047932971639
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.8862231593614268
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.48532648796536826
+ICCc1ccc(cc1)OCc1ccccc1,0.2305345669347683
+C=CN1CCCC1=O,0.2857314716168171
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9910921893022884
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.5349605273663225
+NC(=O)OC1CO1,0.6461562087576576
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.7010821265151187
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.11078423336234033
+COP(=O)(NC(=O)C)SC,0.16267261998709687
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.6688136242686732
+OCCc1ccc(cc1)[N+](=O)[O-],0.8538088564754964
+FC(=C(F)F)Cl,0.34999319042809557
+C=CC(=O)OC(C)(C)C,0.16648889485356766
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.3212125790446174
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8586553180644144
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9822819997932744
+NNc1ccc(cc1)C(=O)O,0.609765584356186
+Fc1ccc2c(c1)cccn2,0.7024806576085488
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.03132187686318328
+CN(C(=S)N(C)C)C,0.18747550700561771
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.8906676195232962
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9836753131849962
+C=CCc1ccccc1OCC(CNC(C)C)O,0.01471370830104799
+OC(=O)/C=C/c1ccc(cc1)Cl,0.049450051674835585
+Cl[C@@H](C=C)CCl,0.6578544409192894
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.0015012197400265052
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.8308754454621665
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.0047229613437359255
+CC(=O)Nc1ccc(cc1)N,0.8185022018735627
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.03349767513703039
+[O-][N+](=O)c1cccc(c1N)C,0.8387353798359312
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.04979576084030991
+OCCO,0.1765714314627633
+O=C/C=C(\CCC=C(C)C)/C,0.0963212695012881
+[O-][N+](=O)c1cccc(c1N)N,0.9347480804669734
+CC(=O)NN,0.3436787787502366
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.7596376282407917
+O=NN1CC[C@H](C1)O,0.983456981948233
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.8364805874575543
+OCP(CO)(CO)CO,0.1490888619313378
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.96932048039532
+COc1c2cccc(c2nc2c1cco2)O,0.6713431186181396
+CNN=NC,0.7623402234044767
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.015800342871337095
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.9059595758321171
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.012810297474464997
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.32638402968137553
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9803531388462535
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8909044514751183
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.1336543397225577
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.9788757473143727
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.04016303496000467
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.007570533984891127
+COC(=O)CCCCC(=O)OC,0.28767364573264254
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9864828417984977
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.2480216966775273
+ClCC(Cl)(Cl)Cl,0.6649606569254755
+OC1CC2C(C1(C)CC2)(C)C,0.17624382603140762
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9981672569182745
+OCCCNC(=O)C(C(CO)(C)C)O,0.0579544216274755
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6233449997806189
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.7535102027142183
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.890956505314294
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.03550355140562706
+CCCCCCCCBr,0.38344057693963407
+Nc1ccc(cc1)N,0.7029110866273962
+Cn1c(N)nc2c1cc1ccccc1n2,0.5828215285760366
+O=Nc1ccc(cc1)C(=O)C,0.8582915021292156
+ONC(=O)c1ccc2c(c1)cccc2,0.9039770354098366
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.12552385529437615
+Sc1ncnc2c1[nH]cn2.O,0.7384336603641393
+CC(C(=O)N(Cc1ccccc1)C)Br,0.6386907760094563
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8344691237132164
+ClCCCBr,0.8532913873458722
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.45483128888004437
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4511652628868716
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.879299604595423
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.0902727166460034
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.4821282579703785
+CCOCCOCCOCC,0.255310157814868
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06238053314311301
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.5442968249116246
+ON(c1ccc(cc1)Cl)C(=O)C,0.6909875093002288
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9797572507943875
+CCOc1nc(ns1)C(=O)O,0.06970291510221992
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.19640944691876366
+BrCC(=O)c1cccc(c1)OC,0.27798742739273463
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.9544960686379389
+CCBr,0.7466374276013532
+O=CC1=CCC(CC1)C(=C)C,0.16304711964245155
+BrC(C(Br)(Br)Br)Br,0.3770078529731996
+Nc1ccc(c(c1)C(=O)O)O,0.7297953443707055
+CC(NC(=O)Nc1ccccc1)C,0.06130744908224032
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.4327637763800424
+O=C(Cc1ccccc1)OCc1ccccc1,0.1602963426846161
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.23935025695030285
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.08899401940973431
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9469861085435537
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.021062616816742197
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.022281267638585456
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.8558389306572736
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.9617822569543665
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.37026382393498636
+NC(=S(=O)=O)N,0.3169139121211268
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.9577958762944696
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9923372954142914
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.8380291838817905
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.9724012554604142
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.3365712922681993
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.9370837019257157
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9754157404013847
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.15522627862617353
+OC(=O)c1ccc(c(c1)Cl)Cl,0.04999886573090957
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.787686379276264
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.0518751709051399
+Nc1ccc(cc1)/C=C/c1ccccc1,0.8632622142372509
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.20618866197050537
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.9341167664765907
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9971565953773001
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.5181906327611161
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.7910638054260632
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.015049465316818276
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.7967327722806768
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.9046692890962593
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.9370738683300243
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.10911456602705516
+CN(N=O)CC,0.9671921786633239
+COc1ccc2c(c1)nc([nH]2)N,0.687378511087046
+CC1(CO1)C=C,0.37898504830465046
+NCCNCCO,0.42173105924155785
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.9929547986514534
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9828850368873968
+NC(C(=O)O)COC(=O)C=N#N,0.6426607013769665
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.362016113000921
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.6946386500003277
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.022296986784724315
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8989768426828093
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.9450975700198352
+ClC(c1ccccc1)Cl,0.2791205515531406
+Clc1ccc(cc1)CC1OC1,0.9136766962337554
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.44409667933523667
+OC1c2ccccc2Oc2c1cccc2,0.4056661741206392
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.7616032362087627
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8506926944485459
+C[C@H]1CC(=O)O1,0.13456718059078412
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9601622388881529
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.4941465942527594
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.3600375815675408
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.26560975420193766
+Clc1cnc2c(c1C)cccc2,0.0862981907195877
+CC(=O)Nc1ccc2c(c1)nccc2,0.6867646309618005
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9025937207838004
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.043877091454781664
+OC(=O)c1occc(=O)c1O,0.2136382495372502
+Cc1ccc(c2c1ccc1c2cccc1)C,0.7831138564869131
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.015319420744402772
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.0035079570886336307
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4160482717028602
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.11392912254079599
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.02441103756173828
+CC(Cl)Cl,0.27203177542237966
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9830469927108793
+O=NN(C(=O)N)CCC(=O)O,0.8147289090661559
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9055555625360394
+ClCCOP(=O)(OCCCl)OCCCl,0.7536793056842116
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.8203947888903103
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.6681184674966578
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.024219287105450793
+NCCc1c[nH]cn1,0.40019397843128696
+Oc1ncnc(n1)O,0.20720510627727
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.9297207943710664
+C=CC(=O)OCCOC(=O)C=C,0.08663916876416827
+CCOC(=O)NNc1nncc2c1cccc2,0.8733714700893509
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9531015351931466
+CC(=O)CCl,0.3629900080753804
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.015502744690506476
+C=CC(=O)c1ccc2c(c1)OCO2,0.3138406905231347
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.22676338749819597
+O=NN1CCOC(C1)O,0.9270067600843812
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9386374753070272
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9493426980873176
+COc1ccc(cc1)CC=C,0.2823155017932134
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.02913556734960182
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.07610919388371402
+Cn1cccc1,0.14547413675946397
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.9501113059145297
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.025015541732953117
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9901867572063993
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9594259330031291
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.7738064098892158
+CN(N)C,0.3718883530062692
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9914148879622957
+Cc1ncc(nc1)C,0.2000716777149892
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.05117224050303753
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.8527378822728497
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.03559534097849451
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.12558565414013814
+Nc1cccc2c1c1ccccc1cc2,0.8854378605370139
+ClC1OC1CBr,0.9141860692290723
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.015410836376020004
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.0008718262506200407
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.7495797866663627
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.19008709503300958
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9860978005111272
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9504984107466619
+O=CC1=CC[C@H](CC1)C(=C)C,0.16304711964245155
+COP(=S)(SCC(=O)NCC=O)OC,0.4748995673657779
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.015368114444626317
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.03299145493929852
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.25530538604426545
+Cc1ccc(cc1)Cl,0.12124575295529767
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.11166784105197287
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7221210912372938
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.8335571349189188
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.2538690666041549
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.06739031668328138
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.8048385002867654
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8964765770739261
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.8070787720070712
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.8466706799559306
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.015661509005451983
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.9700794473332868
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8707914581018288
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.996710698955838
+Nc1nc(N)nc(n1)N,0.1370293830057756
+n1ccc(cc1)c1ccncc1,0.23352232575305953
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.361192542635634
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.8233474429534358
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.9298120878356181
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.10672779396935124
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.7573341706342905
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.3144748941068937
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.0787976320627019
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.9493168638175741
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.9847610170854124
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.46475037579858075
+Nc1ccc2-c3c(Cc2c1)cccc3,0.8433486153818557
+CCOC(=O)N(N=O)CC,0.9343867446471783
+C[C@H](CN(C[C@H](O)C)N=O)O,0.9575523947442843
+COP(=O)(OC)C,0.24089904447013574
+CN[C@H](Cc1ccccc1)C,0.2399542585629271
+[O-][N+](=O)c1cccc(c1O)N,0.8124610353375014
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.2407125608972927
+OC(=O)c1cccc(c1N)O,0.09044944748316697
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.08517392528752546
+Nc1ccc(cc1)Nc1ccccc1,0.47967786416543823
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.881427113293436
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5967284403328191
+CNc1ccc(cc1)O,0.38223565034637136
+C=CCc1cc(OC)c2c(c1)OCO2,0.14655648031228294
+Cc1cc(N)c(cc1C)C,0.5502686578087043
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.07166169372955693
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.06855209748740941
+O=C1CCCCCCCCCCCCCCO1,0.08034708323157091
+COC=C,0.6346727812592308
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.008967074500177835
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.04557863230412976
+ClCc1cccc(c1)[N+](=O)[O-],0.731985766810021
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.7288088906016618
+Clc1cccc(c1)Cl,0.09395762051352709
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.6962329312721584
+Cc1ccccc1OC[C@H]1CO1,0.8989092505352924
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.13797167273733507
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.13332062303178494
+Clc1ccc2c(c1)cccc2,0.48783418235008746
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9276611066028726
+ClC(C(=O)C(Cl)Cl)Cl,0.6106219007398503
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.9545012088944741
+OC1=CC(=O)C1=O,0.10186408547496097
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5164678059062155
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.5154931125805317
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8943440808581113
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.2636798816683951
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.963718701663611
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.7558150362389717
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.41475377396868296
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.4414932449711856
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.9103480344807302
+Cc1n[nH]c(=O)[nH]c1=O,0.4479888011247625
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.24305223399353684
+CCCCCCCCOC(=O)C(=C)C,0.008468262860371788
+OC(=O)CCN[N+](C)(C)C,0.07831146225574862
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.020331325886934738
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.8535386226290849
+Clc1ccc(cc1N)C(F)(F)F,0.07541714508172494
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.5814390370094775
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.12296312418113378
+Nc1ccc2c(c1)oc(=O)cc2C,0.505197199915509
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.9624282143326485
+CC(=C)c1ccccc1,0.5656717206717966
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9790134160369547
+Cc1ccc(cc1)[N+]#N,0.6883293558124011
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.09926998856696441
+Oc1cccc(c1)Nc1ccccc1,0.20159860216677383
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.4177511202656444
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.05975548409148529
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.9152588867119288
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.23157173633317027
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9957075346404334
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9421377741405655
+Cc1cccc2c1-c1ccccc1C2C,0.9199972244375636
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.020001272523197562
+ONc1cc(C)cc(c1)C,0.7257150838161012
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.9300676431739294
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.01493955735457843
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.40364305633732356
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.8876921364283171
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.609846645802113
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9469164680436472
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.6740716563554419
+O=Cc1ccc(cc1)[N+](=O)[O-],0.556805765267894
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.38610407338543623
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.8970588785267211
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9215227259595474
+Oc1ccc2c(n1)cccc2,0.4466770410774526
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9801130495812888
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.49145995347414534
+NCCO,0.37885205305210334
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.35473032154378115
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.10454161183216616
+Fc1cccc2c1cccn2,0.7946368648463987
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.008286842318353591
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.39689962964252545
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.5018545166017423
+COc1ccc(cc1C(C)(C)C)O,0.018351444280566818
+CCCCCCCCC,0.062419496049561325
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.996423771249278
+Clc1c(O)cccc1Cl,0.0511682886302615
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.1117794760251188
+[O-][Cl](=O)(=O)=O,0.3169139121211268
+CCOC(=O)C(Br)C,0.7266570527702493
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.9423306787687042
+Cc1cc(C)c(c(c1)C)N,0.42947104014797677
+BrCCCCCCCC(=O)O,0.283671341119527
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.04616751801227493
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.7133721443106749
+CC1=CC(O)C2CC1C2(C)C,0.11019159373680931
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7711140515288177
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.3924425773794219
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.8493249109486396
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.8215661920898056
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.8160684975811592
+OC(=O)O.[K+].[K+],0.09076002825306682
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9867422361594395
+Cc1ccc2c(c1)nc(n2C)N,0.8653099614800128
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9936252285978624
+CCC[C@H]([C@H](CO)CC)O,0.010664512922095543
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.07897637236277524
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.2053676921968733
+CN(C1CCCCC1)C,0.06678230751621007
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9821582867495053
+COc1c(N)cc(c(c1C)N)C,0.32063133023691537
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9902381912947354
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.998400147344218
+Cl/C=C/CSCC(C(=O)O)N,0.683471299431526
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.09848457308753188
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8045783797397391
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.26486851976244424
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.012201297154541591
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.6151058931288879
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.7201577030175215
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.9458103117294072
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.09144865805999573
+CCS,0.31116574248705897
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.28831233035723686
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.361192542635634
+CCC(CO)(CO)CO,0.3409834185088896
+CCCCCCC=O,0.124164047522459
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.04877646185982655
+CN([N+](=O)[O-])C,0.651582171743743
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.9354762983189725
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.1603804223059943
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9891869287464028
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9386551296666977
+COC(=O)CCCC(=O)OC,0.22290562769674477
+O=Cc1ccc(cc1)Cl,0.054546327997431775
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7178418617581555
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.9979661441081041
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.06231149534269459
+OCCN(CC)CC,0.32379121104619146
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.8134519685076862
+COC(=O)C(=C)C,0.22108736553449992
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.05598099073299856
+CC1(CO1)C(=O)N,0.6974236542891527
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.7197308573270393
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.017066501685645177
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.09144865805999573
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.09564461755979972
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8712045657544722
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.0007266967602671349
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.02138353357974646
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.988831825262814
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.21396734028286388
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.22383195391635935
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.8138377485916203
+CC(S)C,0.27742148242216436
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.5515046827200292
+C[n+]1c2ccccc2nc2c1cccc2,0.8812475413529649
+CCOC(=O)[C@@H](C(=O)C)Cl,0.048283975364478635
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.957005622459986
+COC(=O)C(Cl)Cl,0.6168983603243184
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.33586399418037954
+CCCC(=O)C,0.03283153963803365
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.01526900867276163
+CC(=C)C(=O)OC(C)(C)C,0.19575573807766636
+[O-][N+](=O)C(C(O)C)C,0.2090904706242914
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.17085729779158976
+c1ccc(cc1)N/N=N/c1ccccc1,0.6611842621409275
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.09386273664194641
+Cc1cc(ccc1N)c1ccccc1C,0.9512553208618441
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.09243978115979523
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.08380406355271293
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.9370406605898355
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9741187547412129
+OC(=O)c1ccc(cc1)N,0.4186316694883043
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.9716979062818851
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.041609255256879835
+COC(=O)C(Cl)C,0.23365918487650447
+C[Si](O[Si](C)(C)C)(C)C,0.18876812590932762
+CCCCBr,0.565050260359956
+OOC(N=NC)(C)C,0.8390628585908788
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.8820488001856717
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.916854839090575
+OCCOc1ccccc1,0.06813453474642267
+O=c1[nH]ncc2c1cccc2,0.19501801534183955
+CC(=O)Nc1cccc2c1cccn2,0.6804010712555046
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.01787871611926248
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.955379438891652
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.9037129360546687
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.08098106737939206
+COc1cc(ccc1O)C(=O)C,0.238934603412239
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.028036214325899558
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.7997352684651183
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.005279758451239592
+[O-][N+](=O)c1ccc(c(c1)O)N,0.9386970297437026
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9970164882448493
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.019094461779863136
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.018349020902222783
+c1ccc(cc1)c1ccccc1OCC1CO1,0.9462874122996512
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.0017752802991855045
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.01471370830104799
+COCOC,0.24277282571386305
+Oc1cc(=O)[nH]c(n1)N,0.039316126018855736
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9930061770443991
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7033118456165341
+c1ccc(cc1)NN=Nc1ccccc1,0.6611842621409275
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.0005128074337591005
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.008566595695664387
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9351023302226708
+CCOO,0.6786258673992982
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.6438555034152451
+CCOC(=O)N,0.5295664842548793
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7821930104556732
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.7266223165359788
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.8442748245515064
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.567524696128207
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.5539686472158821
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.995532009963867
+CCc1nn(c(c1Cl)C(=O)N)C,0.07604017633803713
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.008653454903702123
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0.21194231326664303
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.20627017552234087
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.9827580869045167
+CC(=O)OCCOCCOCCOC(=O)C,0.40567958998875514
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.2620426040187102
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.38048797532953893
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.2939011287167807
+Oc1ccc(c2c1cccc2)O,0.4055170703187785
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.025015541732953117
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9967251415428604
+CCCCCCCCCCCCCCCCN,0.07031852900385491
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.015705245134302583
+Cc1ccccc1N,0.7481645386447727
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.8676229897502775
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.6369743807242689
+CCCCCCCCO,0.054644368582032476
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.023329507198932786
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.7160986645340659
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.3600375815675408
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.4651173733830594
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.008804155662460471
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.937095461787722
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.8226705362016238
+OCc1ccc(cc1)Br,0.034535855028498035
+O=c1nc[nH]c(=O)[nH]1,0.18947817929547048
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.6218870328208694
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.011118153093028736
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9945912097207724
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8872435272266785
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.8004334263840657
+BrC(=C)C=O,0.8395366848021177
+Clc1nncc2c1cncc2,0.09761508866320892
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.024111876476451376
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.8034796013270101
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.1131379652186289
+O=NN1CCC(=O)CC1,0.9658423521552201
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.9346247496262589
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9938090971279685
+N#Cc1ccc(cc1)C,0.14389139968253398
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.6197046173066632
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.04958825180361369
+O=NN(c1ncn(c1C(=O)NC)C)C,0.843005756061224
+CC(Nc1snc2c1cccc2)C,0.14109425923619376
+C=CCCC1CO1,0.7591486447590556
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.7898040486800094
+Nc1nc2c([nH]1)cccc2,0.5156602142654666
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.13078546988872297
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.07026143028945075
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.019027789922802477
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.28230686582495157
+CCCN(CCCC(=O)O)N=O,0.8346432724797684
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.10371191577164147
+OC(=O)O.[Ca+2],0.1367498288055766
+OCCCBr,0.6944125525960821
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9682046909255753
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.9516511935490817
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.8973022676194459
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.7441195038136865
+ClC(C#N)Cl,0.1986351518327905
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.010841113940674451
+OC(=O)CCC(=O)O.[Na+].[Na+],0.07870404780720552
+CCSCCOP(=S)(OC)OC,0.3525429595574057
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.015136555610041074
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.23806598252582054
+OC(=O)CCC(=O)O.[Na+],0.07870404780720552
+ClCCCl,0.6334809981443221
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.880720067834371
+OC(c1ccccc1)CN=N#N,0.8419705713959096
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.4902914248906319
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.8569725187813794
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9924608452797345
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.0362169266050946
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9887284410694538
+O[C@@H]1OC(=O)C(=C1C)Cl,0.927509522695464
+CC/C=C/CC/C=C/C=O,0.8402484279453266
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.002117294059343712
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9158670245771211
+CC/C=C/C,0.32917357029202926
+CSc1cc(SC)c(c(c1N)C)N,0.7300506835836532
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.9727529494533778
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.18297559893033874
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.0015090643841338355
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.01286162648684475
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.6997254085102171
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.12465153656653892
+CNc1nc(C)c(c(n1)O)C,0.06946946325672135
+N1C(=O)C(=N#N)C=NC1=O,0.722960657580389
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.08903193488788436
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.08845435193382553
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.07733086498425064
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.04532243017896044
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.05932300280506572
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.02892679995314014
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.034882863891202626
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.1479136297360427
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.45534916263237185
+Nc1cnc2c(c1C)nc1n2cccc1C,0.9565417928057881
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.6789219852952252
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.8653585185385059
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.9800287415667084
+Fc1cc2cccnc2c2c1nccc2,0.9627472318095627
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.33082825315568726
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8317029736470454
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.7782162329018283
+O=CN(c1ccc(cc1)c1ccccc1)O,0.6858812705213843
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9693517124083788
+Cc1c(N)c(C)c(c(c1C)N)C,0.3909101160802995
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.07809646258824009
+C/C=C/c1cccc(c1OC)OC,0.22208420098004283
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.6894051927512391
+OC1OC(=O)C(=C1C)Cl,0.927509522695464
+NCCNCCNCCN,0.5712718362691697
+BrCCOC(=O)C=C,0.768822315572944
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.6576174364610192
+OC(=O)C(CC(=O)O)CC(=O)O,0.14267751462596825
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.12493646441494431
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.006009063917676236
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.02096926309246085
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9700778186182348
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.5397307440632555
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9898138181428542
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.7944400812068682
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.0446036839123313
+c1ccc2c(c1)nc1c(c2)cccc1,0.750158489186077
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5124743798332061
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.051744457551965765
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.01156169437293017
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.1321606208719193
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9355069455105152
+Cc1ccc(cc1C)S(=O)(=O)O,0.09306463182227144
+CC(C(=O)Nc1ccccc1)C,0.18760582411382867
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9901576522764551
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.7573237800898218
+CC(Br)(C)C,0.06796557608074599
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9920766097483584
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.37130608972180273
+N[C@@H]1CCC[C@H](C1)N,0.0632548564620749
+N#CC(=Cc1ccccc1Cl)C#N,0.1534109657048054
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.9832600526612808
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.05107313309559144
+CCCCC(=C)C=O,0.6032234432221394
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.17810035386335166
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.046091449963300286
+BrCc1ccc(cc1)Br,0.10676020964234341
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9921938581069399
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.8057545568995905
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.9818218783433241
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.04918273330250781
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.18969505598927286
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.18845098718816955
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.7755425739391243
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.009982204804342323
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.9920450751759897
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9848460225985565
+c1ccc(cc1)c1ccccc1c1ccccc1,0.7405781986605819
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.005948272674064803
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.045380933716065115
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9874886752060174
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.9448377502717552
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9931084004710604
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.9322282068265986
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9925949951443551
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5425494776398886
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.05092457815744274
+Clc1cccc(c1)C(=O)O,0.05804597480959995
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9677614964005636
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.1717978753454832
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.49223581971424224
+O=NN(Cc1cccc(c1)Br)C,0.3805348218584875
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.6973170807016253
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.16469581421437585
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.24558204243153717
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.972926149565254
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.8528678065423213
+ClNc1nc(NCl)nc(n1)NCl,0.21084132175810175
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5854889618214391
+OC(=O)/C=C/C=C/C(=O)O,0.1735346060019547
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9680080728168229
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.24691764439099492
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.03184212206715295
+NNc1ccccc1,0.618215137399045
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.24705081947384078
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.0774967663872228
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.0026892279942283114
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.48928098571141976
+FC(Cl)(Cl)Cl,0.32606966901192885
+C=COCC(F)(F)F,0.18554728585701877
+NCCc1c[nH]c2c1cc(O)cc2,0.18592177822598496
+OCCc1cn(c2c1cccc2)N=O,0.8892340216230393
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9172063063138889
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.8532254830312205
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.5943316890029609
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5610880247575548
+COC(CCOC(=O)C)C,0.33501191321107104
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.9072286258125598
+Cc1cccc(c1)C(=O)Cl,0.8000699674762108
+O=C/C=C/C=O,0.6600523326554849
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11290512072492101
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.8848866386500699
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.023979044856465043
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.02994467359910344
+CCN(C(=O)c1cccc(c1)C)CC,0.026430807687954312
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.6916725932960727
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9061067392468185
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.7983740133143886
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.7058212347173675
+Fc1ccc(c2c1nccc2)F,0.9400197703428174
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.9272968518112522
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.929529272409868
+COCCO,0.3633086241704232
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.9617662439407253
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.028696656354421254
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.11255969438307474
+Cc1cc2ccccc2c(c1)C,0.7053383151213947
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9554005557502563
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.3397527648112804
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.0019139641530114316
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.8256504546013957
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.04131851424354684
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,0.017914004517199
+CN(CCN(C)C)C,0.23669610267668367
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.7212293052943056
+OC1C(O)C=Cc2c1cccn2,0.13685266454416914
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9798280399188919
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.956609196249456
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9369835739475068
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.06825778417993585
+COc1ccc2c(c1)oc(=O)cc2CBr,0.3728811515350146
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9812101575225057
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8637556976854016
+ClC(=C)C=O,0.8709386113257054
+C[C@H](C(=O)Nc1ccccc1)Br,0.8004290252087719
+c1cc(OCC2CO2)c2c(c1)cns2,0.9728655501413201
+Cc1ccc2c(c1)nc([nH]2)N,0.3335155708387191
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.028582401576476266
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.2722351933162532
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.7303626497825573
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.023323501342923336
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.03595070405633494
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.617944455904537
+C/C=C\C=C/C(=O)O,0.21569059725637388
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9890786351783123
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.612458389659064
+N[C@@H]1C[C@H]1c1ccccc1,0.12640264654692424
+Cc1c[nH]c(=S)[nH]c1=O,0.17357349562764998
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.37251241434968196
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8477866599561915
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.8980231645850619
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.0020902256153368954
+OS(=O)(=O)ONNCCc1ccccc1,0.37910513668608
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.836204039026675
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.3115314577866481
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.8060064858587538
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9965784012505309
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9655912613743667
+C[N+]1(C)CCCCC1.[Cl-],0.08887032966069307
+Cc1nsc(c1)N.Cl,0.8027329197169343
+COc1cccc2c1nc1occc1c2OC,0.737323928746588
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.1674535540097863
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.08917836973392025
+Oc1ccc2c(c1)nc(n2C)N,0.9167876193474437
+Oc1ccc(c(c1)O)O,0.40923018467163685
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.7503781812866466
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6055890795175783
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.01929493156140036
+CCCC[C@H](CO)CC,0.03211893879426601
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.14113777957338736
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.3875689165036803
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.15465168450628455
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.03265815599968343
+OC(=O)COc1ccc(cc1)Cl,0.050406015379817336
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.08421748000697817
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.9755232781582246
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.759714667492603
+O=C1OCC1(C)C,0.46540718929093794
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.15100481033938293
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.06617038835433546
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8566115852466943
+BrCCCCCBr,0.7376236608203803
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.7608606589978614
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9798280399188919
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8755159423032994
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.8041174232401415
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9852384595952417
+O=C1CCCN1C,0.11495737930577979
+ONC(=O)CNC(=O)c1ccccc1,0.5334940630588746
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.718849227143632
+P,0.26513935857926973
+CCCC[N+](=O)[O-],0.2875486706279684
+OC(=O)[C@H](O)C.[Na+],0.09312920481175847
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.02951630349912176
+COC(=O)CCl,0.32006379315055755
+Nc1ccc2c(n1)cccc2,0.8014047993583904
+ClC(=O)OCc1ccccc1,0.08517860863320767
+CCOC(=O)c1ccccc1N,0.0776608655962453
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.9594477303617623
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.9459277431433354
+O=NN1CN2CN(C1)CN(C2)N=O,0.9508949240369045
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.1495635831061087
+CCCC(=O)OCC,0.07772287114726635
+ClC(=C1C=CC(=O)O1)Cl,0.4521875573601104
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8314465246238202
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.707147581015888
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.9556167782192602
+CCC(=O)C,0.08606139084713472
+O=C1C=C(C)C(=O)C(=C1)C,0.11350616735395845
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9284510739023281
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.172661183225582
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.021963853904632038
+O=NN1CCCN(CC1)N=O,0.9867253844946157
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.6009303328388013
+N#Cc1ccc(cc1)C(=O)O,0.08260114821468309
+CCN(c1ccc(cc1)N=O)CC,0.9334636978001091
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8795992926442511
+Nc1ncc2c(n1)nc[nH]2,0.14773316177560308
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9945735001358286
+O1C[C@@H]1[C@@H]1OC1,0.8129870281768024
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8460750710698179
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.0019226955037030234
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.9770822356334949
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.011028401439757725
+OC(=O)[C@H](Br)Cl,0.14418904873501923
+CC(=O)N(c1snc2c1cccc2)C,0.12319517191443409
+OCC1OC(CC1O)n1cnc2c1ncnc2N,0.3945125957143775
+[O-][N+](=O)c1ccccc1,0.8114857706022304
+Clc1ccc(cc1)S(=O)O,0.13668190012598178
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.056011879811870204
+COc1c2ccccc2nc2c1cco2,0.7220587086167755
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.037186043001125636
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.9900875641743017
+OCc1c2ccccc2c(c2c1cccc2)C,0.6411226962004696
+Fc1cnc2c(c1)c(F)ccc2,0.6750133667106434
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.0037439959319558115
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.9927827058520157
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9187814591687953
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.07944613173772586
+OCc1ccc(o1)C=O,0.4788596626678541
+OCCN=N#N,0.9521717317013427
+CCCCC#N,0.08967931275673875
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.005644939876610454
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.6135130188326795
+Clc1cccc2c1nccc2,0.25146696721810247
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.9982978928837367
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7969392555502693
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.1945216670531648
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.9825556082907151
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.2388927712465234
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.810004050183153
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.8545360698518378
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.965205862571462
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9655912613743667
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.7524127897343756
+O=C1NC(=O)NC(=O)C1(O)O,0.31698835568812067
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.990448823747585
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.7335265493065851
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.019138943422024112
+c1ccc(cc1)NNc1ccccc1,0.5367746956174139
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8856609763407729
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.03082134099227564
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.9839358264554867
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.2890907194843483
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.4831190353240893
+Oc1ccc(cc1N)S(=O)(=O)C,0.365066353399264
+O=C1NCNC(=O)N1,0.27531810407818635
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.301179476302619
+NN(C(=O)C)C(=O)C,0.32503145423434937
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.42562970918884624
+CCCCN(CCC(=O)C)N=O,0.8522133049356565
+OC(=O)c1ccccc1C(=O)O,0.0915637454666811
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.9618630217104589
+ClC/C=C/Cl,0.9453904150668679
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.9702677154029035
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9722787394521355
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.9042889990513105
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,0.1604228850092177
+O=C1C=Cc2c(C1=O)cccc2,0.3818388593588592
+C=CCc1ccc(c(c1)OC)O,0.22736013286081538
+CC(c1ccccc1)CN=N#N,0.9170229812032233
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.997448644274656
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9305279483406209
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.0863651198287621
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.023885908866687667
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9383828254176828
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.19408403146370695
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.005404242561431052
+O=CC=C(Cl)Cl,0.7104291719149333
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.1362376251401059
+Clc1cc(O)c(c(c1)Cl)Cl,0.03721644466149512
+CC/N=N/O.[K+],0.6570852444015021
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,0.9464543467256412
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.979487835871121
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.7338624331987833
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.005220858773726507
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.9936852324718642
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.04270819293859729
+C1CC2OC2CCC2C1O2,0.29467772969072825
+ONc1ccccc1c1ccccc1,0.9031824965434443
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.540583357642874
+O/N=C/c1ccncc1,0.5163619895461051
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.004851659994259859
+ON1CN(Cl)CN(C1)Cl.[K+],0.10107965568833172
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.2343802891737067
+[C-]#[O+],0.32606966901192885
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.2406070157920557
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.7444002561937018
+CCSC(=O)Cl,0.5603352156023463
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.08432929920798868
+O=Nc1[nH]cnc1c1ccccc1,0.8613674945080309
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9950426771318583
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.014164989228085227
+NCCC#N,0.27926001889305774
+O1CCC2(CC1)CO2,0.18229363516009364
+Cl[C@@H](C(F)(F)F)Br,0.21535631544867923
+OCCCCCl,0.2557153455854436
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9847422708712825
+ClCC(CCl)O,0.48354775618572743
+CCCCCCCCCC[C@@H]1OC1,0.40174790893796425
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.10190346014532953
+OC(=O)C[N+](C)(C)C,0.07101978980203028
+BrCC1=C(Br)C(=O)OC1O,0.9221705522035119
+OC(=O)CCCC(=O)O,0.10237163775345953
+Nc1nccs1,0.6403679678446348
+Nc1ccccn1,0.63646969527223
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.9350960027922751
+FC(C1=C(C=N[N]1)C(=O)O)F,0.19948843258562304
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8457124957517762
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.9778482088445964
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.06721456015250526
+SC[C@@H](C(=O)O)NC(=O)C,0.1618982342543237
+CCOC(=O)CC(C)C,0.18903146988248082
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.47794848726681893
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.015046500327646895
+O=NN1CCCC1,0.9885310376862341
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.32777049595942037
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.8230329650021352
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.07459814555228711
+C[n+]1ccc(cc1)c1ccccc1,0.3272263204291636
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.9743745089003711
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.09160057619843673
+O=C1CCCCCO1,0.0737177295158426
+Cl/C=C\Cl,0.5949981440810816
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.028383512954211904
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.7067160220749469
+CN(P(=O)(N(C)C)N(C)C)C,0.5042350552372169
+CCNC(=O)CCC(C(=O)O)N,0.09535992487803364
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.014985466088467033
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.24160737845252553
+Oc1ccc2c(c1)nccc2,0.4518401584608028
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.01263940464361659
+COc1ccccc1CC1CO1,0.9625351250798184
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.04544443521581733
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.15590349512189722
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7956172824031613
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.06647692380462883
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.004589860023923732
+CC(c1ccc(c(c1)O)C)C,0.058939930078643815
+Nc1nnc(s1)S,0.32869740834387823
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.5737068245764742
+CCN(/C(=N/O)/C=O)N=O,0.9367429838503134
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.8797410759607925
+CC(=O)Nc1ccc(cc1)C(=O)O,0.2706098015910449
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.963119334954683
+Oc1cc2ccccc2c2c1cccc2,0.7497171137100108
+Oc1ccccc1Cl,0.08953512098408875
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.33296358762993294
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9948537118071349
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9986499908791892
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.05588980595752084
+NCC=C,0.20864740065101273
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.0020518697337072313
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.3472102817720015
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.02334907019758803
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.9748394924122729
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.6488644144591169
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.07850682292010676
+COc1cccc2c1OC1(C2(C)OO1)C,0.6098986010753901
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.9756746155916364
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.7752731367834329
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.8711611555809897
+CC(CC(O)C)C,0.131420658804319
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.043268724137415226
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.7163401806294556
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.9429333412504769
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.5912878254263775
+OC(=O)c1ccccc1,0.1080015871636563
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.9300845334492587
+CCCCCNc1snc2c1cccc2,0.04494026216808069
+ClCCl,0.32606966901192885
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.9155067976920964
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9855244122885662
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.38554305933591
+C(C1OC1)CC1OC1,0.7958222762264661
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.2318099712967644
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7619638532627191
+C=C1CC(=O)O1,0.2511259398661205
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.6129706559673822
+CCOS(=O)(=O)c1ccc(cc1)C,0.6398024793024732
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.13167951114991794
+CSC(/C=N\O)(C)C,0.14634694571502824
+CCN(C(=S)SCC(=C)Cl)CC,0.3895812403623878
+COC1=CC=CC=CC1,0.6185160822039856
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.5754187762353222
+OC(=O)c1c(Cl)cccc1Cl,0.07738437526707166
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.0004585880741527747
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.41381233574921855
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.767332908448406
+Oc1ccc(c(c1)C)C,0.20059296642087596
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.9355456160304516
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7497171137100108
+CCOc1ccc(cc1N)N,0.9468049667878572
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.9300149987342932
+CCN([N+](=NO)[O-])CC,0.44631750802633313
+OC(=O)c1ccc(cc1)C,0.091307104849501
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.2153969473118757
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3255501325414846
+OC(=O)CCl,0.33146240868936944
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9471003871081317
+Oc1ccc2c(c1)cccc2,0.398740105632452
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.9308687490413509
+CCc1ccccc1O,0.1558797100118368
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.002736718393857967
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.011487761996450147
+Clc1ccccc1Cl,0.10040875187169544
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.8859207476036076
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.4509117667351771
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.18362226946464932
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9185049918356617
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.08381978408199198
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8892547566522092
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.9672641454782851
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.20753570058787674
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.7465904658080657
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.29895141779160894
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.7810167120910859
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.1811675157779979
+Cn1c(N)nc2c1cccc2,0.9222739817846313
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.00609607761911063
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9328353943146981
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7451400793678205
+Cn1ncc(c(c1=O)Cl)N,0.14237663953761126
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.49223581971424224
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.8886349468015426
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.8611616357107138
+CCOc1cccc(c1)[N+](=O)[O-],0.8288240022162904
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.06849461197396527
+BrC1=C(Br)C(=O)OC1,0.7323763634558796
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.5601100921666909
+ONc1nc(N)nc2c1nc[nH]2,0.8744364245685848
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.8867092826661395
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.0607241341687855
+O=NN1CCC[C@@H](C1)C,0.971552141933044
+O(Cc1ccccc1)C[C@H]1OC1,0.9288706572684406
+OC1CCN(CC1)N=O,0.9730160748854985
+O=Nc1ccc(cc1)c1ccccc1,0.9399380579629399
+CN(c1ccc(cc1)N(C)C)C,0.5703322628639117
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7164917212922983
+CN/N=N/C,0.7719401621746304
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8677744710599794
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.8508926470064733
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.011849545888005592
+Nc1cc2cccc3c2c2c1cccc2cc3,0.8776097326444057
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9871607152452623
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.9357709690800395
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.5504113415955351
+COc1cc(/N=N/c2ccccc2)ccc1N,0.9800349166884136
+C=CCOC(=O)CC(C)C,0.2015292687045582
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.037672722540112946
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9958125759801659
+COc1ccc(cc1)N=O,0.9358424965560002
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.987748550761041
+OCC#C,0.22623740186176639
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8020615677214862
+CCCCCCCCCCCCCC[C@@H]1OC1,0.40174790893796425
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.0030652892287883486
+Cc1ccc(cc1)OC[C@@H]1OC1,0.9250747630120253
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.07698928686883441
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.7353682147168767
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7729103139729084
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9516157162343415
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.008359994481002185
+Oc1cccc(c1C)O,0.564565498829245
+O=C(C(=O)c1ccccc1)c1ccccc1,0.07726653405208903
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.878344983729277
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.15198506857947217
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.49413870485011296
+[O-][N+](=O)c1ccc(c(c1)N)O,0.970993074159934
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9891221353972445
+Cn1c2ccccc2c2c1cccc2,0.8431158259321339
+O=C(c1ccccc1)c1ccccc1,0.4071094881234725
+COc1nncc2c1cccn2,0.18505815755129715
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.7349905784388977
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9460685189061784
+Nc1cc(Cl)c(c(c1)Cl)N,0.49834912619255056
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.18729397598227163
+CCCC[C@H]1CO1,0.40174790893796425
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.23772438174438446
+CN,0.22949391425661828
+Oc1c2ccccc2nc2c1cco2,0.6237895885012562
+OCOC(C)(C)C,0.35472329962175425
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.0026599934035755005
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.09681285986373216
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.014280080769855666
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5058187781692282
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.9881798646033438
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.8191082374533348
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9469448243023776
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.9724028385962051
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9963316588205671
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9766923660210726
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9697019535674404
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.14556674703956624
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9697677293223783
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.9864684737894734
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.23979638618745483
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.872444961036005
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.2523022358184769
+[O-][n+]1ncc2c(c1)ccnc2,0.0529943607808722
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.7561651258684546
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8525280691643253
+Cc1cccc2-c3c(C(c12)C)cccc3,0.7561651258684546
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.09925291143185581
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9827631710065577
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.14765516569613038
+ClCC[N+](C)(C)C.[Cl-],0.3866380787014403
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.00473504591669503
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.140824789612177
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.49390611821993113
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9736351098226469
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.016469265150382627
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.8754792252305673
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.2712244089741703
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.9895572572325424
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.872444961036005
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9587582356180698
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.005184412788128981
+CC(=O)OC[C@@H](CO)O,0.6128931840221123
+BrCC#C,0.31632184959958604
+OCCCCN(N=O)CC,0.9854112760334335
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.16067920474135214
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.3401367382870117
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.24691764439099492
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9897405295119559
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.6854925823165543
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9843410453936595
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.9302310534303251
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.960363353711731
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.8861710238334557
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.7908272873812925
+O=C/C=C/C(O)C,0.905249509568853
+Clc1ccc(cc1)S(=O)C,0.07666985226184107
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.19215952195524985
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.7967961944815183
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.2708187374216677
+CCCCN(CCCC)CCCC,0.07659954913257504
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.0414303569015725
+C#CCOCC[n+]1ccccc1/C=N/O,0.14920368023653136
+ClCC1=CC(=O)OC1,0.8479990781215363
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0.2708926074915468
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.016696469760905108
+CCCCCNCCCCC,0.09881556116432004
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.12792542788812974
+NC(=S)N,0.21367049351175804
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.8505561975397914
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.05076874600617445
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8907392292851559
+C=Cc1cccnc1,0.08420728325740397
+COc1cc(cc(c1O)OC)C(=O)C,0.15235105873458446
+ICI,0.32606966901192885
+COc1cc(O)nc(n1)NC(=O)N,0.023107629147604284
+OCCN1CC1,0.1220224292665802
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.647718966849166
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.10262960899733817
+Fc1cccc2c1ccc1c2cccn1,0.9297547480623045
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.7958152013240436
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.8016167461737547
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8819071327186081
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.005972449238737539
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5911316626280908
+CNC(=O)Oc1cccc2c1cccc2,0.675276136358383
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.0012149154603222012
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7244531717942263
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.958971273450966
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5854889618214391
+COC(=O)C1=CCCN(C1)C,0.06902241690855744
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.643084170455404
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.7635835801821886
+O=C(Nc1ccccc1)Nc1ccccc1,0.201101112665299
+Nc1ccccc1S(=O)(=O)O,0.49488243230552303
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.8822660377716737
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.1466116709460666
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.664587460038222
+CC(Cc1ccc(cc1)C(=O)C)C,0.1572861282625575
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9805538739370818
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.0037401985533008315
+NS(=O)(=O)c1cccc2c1nccc2,0.035360931033898486
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.9477448185196612
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4789171073112594
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9281443269318781
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9680350839050018
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9557869998163965
+O/N=C/c1ccccn1,0.2506923234629942
+BrCc1cccc(c1)CBr,0.42626294375187124
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.07171983472380596
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.9050986635969286
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.12376355457367796
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.2947134106238643
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.08739013521783834
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.03389731594461146
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.12672936901021428
+CCCNCCC,0.17807389769744716
+n1ccc2c(c1)cnnc2,0.26633890842385866
+ClCC1=C(Cl)C(=O)OC1O,0.9806012290212605
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.1376147069160214
+[O-][N+](=O)c1c(C)cccc1C,0.6340145476084875
+FC(COc1nc(N)nc(n1)N)(F)F,0.008708536702436528
+CCCCSCC[C@@H](C(=O)O)N,0.14801270169098196
+OC1C=Cc2c(C1O)nccc2,0.2635089897980181
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.8238497586602056
+CC(=O)OC(=O)C,0.24017735759952122
+BrCc1ccccc1CBr,0.328776126533696
+O=NN(C)C,0.9308319284555767
+CCN=C=S,0.615490015893958
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.6216186737363223
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8708268478087766
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.11806169439363247
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.07110876870465173
+FC(Br)(Cl)F,0.32606966901192885
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.021713836893423346
+O/N=C(/c1ccccc1)\N,0.5236954665221364
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.8992615122306231
+S=C=Nc1cccc2c1cccc2,0.20653626443259104
+Nc1ncnc2c1ncn2Cc1ccccc1,0.7694262031155811
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.975753223094107
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.007615946276943276
+CCCCCCCCCC(=O)O,0.02227470424377463
+N[C@@H](C(=O)O)CS,0.5333511128195945
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6037686886478058
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.874199214171952
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.4469017586037354
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.9894246859280966
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.16176254299570178
+[O-][N+](=O)c1cccc2c1cccc2C,0.9524974033864253
+O=NN(CC(=O)C)C[C@H](O)C,0.8610061105055388
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.7164127421910834
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.14850921298622097
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.15863213267577492
+ClCc1ccc(cc1)[N+](=O)[O-],0.8820600563223144
+C=Cc1ccccn1,0.18775061987136665
+CSCC(C(=O)O)N,0.1913145686400016
+C[C@@H](c1ccccc1)Br,0.17796860433900313
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.6777385460986828
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.5563141832634083
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.04256084367471345
+O=Cc1cccc(c1)c1ccccc1,0.2865902764172804
+Nc1ccccc1,0.6588611523936527
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.16469581421437585
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.03638444418750449
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.6224628810432395
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.01876811926758652
+[O-][n+]1cccc2c1cccc2,0.210621654394435
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8516116692257075
+NCCNCCN,0.5712718362691697
+ClC[C@@H](CBr)Cl,0.967580618469197
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.7794693268428158
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.8715745516277446
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.9840830929565314
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.8527883424873194
+Cc1ccccc1O,0.18430333716766095
+CN(C(=O)OCC)N=O,0.9718052733128558
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.24493972454887203
+O=C1NS(=O)(=O)c2c1cccc2C,0.09178789011257597
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.0031259361263236223
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.20753570058787674
+COc1ccc(cc1N)C,0.6982431027760158
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9352373025313848
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.4390038397085444
+C/C=C/c1ccc(c(c1)OC)O,0.16646756377644908
+COc1ccc(cc1)N.Cl,0.8165268444121138
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.035570225703727205
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.0008204049326258877
+OC(=O)c1ccccc1C(F)(F)F,0.10620741827264688
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.02227470424377463
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.628731340057617
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9763010458539173
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.9117174506940608
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.005449551255563853
+CCC/C=N\O,0.3794201841465611
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.01303936914011795
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.011477376173589925
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.538049840743188
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.009308680683926497
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9826086259366216
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.09343659316097051
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9604882257129709
+Clc1cccc(c1O)Cl,0.08982049188835582
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.295792710901586
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.9661263130593386
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9629123842437326
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.9340308939183474
+CCN(CC)N,0.6158317282773615
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.3940047040405054
+[O-][N+](=O)c1cccc2c1csn2,0.899738576134888
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.9972398590342026
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.9474910619649567
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9958301185905623
+CCCCCO,0.04960993482511274
+OC(C(Cl)(Cl)Cl)O,0.30266630879368617
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.5578897927425067
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.9956281494966154
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.9420267998783497
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.08290315681130192
+Nc1ccccc1Cl,0.5746265691101718
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.5636705936631802
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8363292551508271
+NC(=O)Nc1nc2c([nH]1)cccc2,0.16228744365724843
+CCNN=NCC,0.7396627164815955
+Fc1cc(F)c2c(c1)nccc2,0.8410643496178061
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.9709896581215675
+CCSCCSP(=O)(OC)OC,0.5079678505257086
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.07583605955307657
+COCCl,0.32615187577596727
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5108347393184169
+CC(=O)Nc1ccccc1,0.4776237553525732
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.6211272575227172
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.11422734463191747
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.47170313654179474
+NCC(=O)O,0.0956969349663538
+NCCc1ccc(c(c1)O)O,0.4215732074275515
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8837082686524245
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9199504583682356
+O/N=C(/c1ccc(c(c1)O)O)\N,0.5543695252971974
+O1CC1Cc1ccccc1,0.9467499931891928
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.8112419008394457
+OC(=O)c1ccccc1O,0.0969599718816375
+ClC(=O)c1ccccc1C,0.9270500589214341
+CC(O[P@@](=O)(F)C)C,0.14352214914351136
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.8284380640760546
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.970502216425462
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.6545018863789346
+ONc1cc[n+](c2c1cccc2)[O-],0.6537354833762223
+[O-][N+](=O)c1cccc2c1cccc2,0.9417968428298704
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.8411823432058165
+OCCS,0.38146677401997753
+Fc1ccc2c(c1F)cccn2,0.7070900419795767
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.468593351016344
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.7885940214466347
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.9858469489181544
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9907637918438534
+CC(=O)Nc1cccc(c1)C,0.5341602770382388
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8843588832841456
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.059177554623679934
+CCCCNc1snc2c1cccc2,0.09159732914177285
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.14848957639007604
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.9082495385284003
+O=NN1CCC(=O)NC1=O,0.9612394424312274
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.983380140854118
+O=NN1CCNCC1,0.9613904123975551
+Cc1ccc(o1)C,0.18088503844927625
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.8900353271544859
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.8199608271436429
+Oc1ccc2c(c1N)cccc2.Cl,0.5892781957784202
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.1679590414536306
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.984706064271637
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.914219941600998
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.06126760156561472
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.001806113428824134
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.8527114864230629
+SCc1ccccc1,0.25059079528411227
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.022209990618192288
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.1822140361771967
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.026414604664512613
+CCCNc1snc2c1cccc2,0.09478981091034033
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9956471042632596
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9664420117781267
+ClC[C@H](Cl)C,0.8982172924410378
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.6385929217856497
+ClCC(=O)c1ccc(cc1Cl)Cl,0.5618854519172921
+CN1CCOCC1,0.0695840693992071
+O=C1CC=C(O1)C,0.3904900566512467
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.018553692589660616
+Cc1ccc(cc1)[C@H]1OC1,0.5703468932004214
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.0063537761503115586
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.0010583924271540172
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.9148290931095117
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0.23528315355957125
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.2932043629011454
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.7756069793470107
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.8666031166035673
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.9040319699733418
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.9754829862982445
+OCCc1ccccc1[N+](=O)[O-],0.5123856506204008
+NC(=O)NO,0.4528134448632515
+Ic1cccc(c1)[N+](=O)[O-],0.5471047750345645
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.7474500650174782
+Brc1cccc(c1)c1ccccc1,0.24557957672376196
+C1CCCC1,0.18419658548797951
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.7528515144301238
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.965216834279118
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.9860459669867498
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.6728461794530184
+ClCC(F)(F)F,0.32738618984454976
+BrC(C1=C(Br)C(=O)OC1O)Br,0.9354508093086825
+Clc1nncc2c1nccc2,0.29449959968999145
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.9484624036490585
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9221405240139318
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9123586569513745
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9249678771694047
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.15371937144030284
+[O-][N+](=O)[C@@H](CC)C,0.32778042273883434
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.924817581769575
+[O-][N+](=O)[CH-]CCC,0.17205719666964508
+CCCCOC(=O)c1ccc(cc1)N,0.04833690516672127
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.6141470256546561
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.064353883129549
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.8130600617724869
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.1462321352077223
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.030257329288498166
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.05585890602295505
+O=c1cn[nH]c(=O)[nH]1,0.851492995374094
+OCC[N+](C)(C)C,0.11389552308322327
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.6596531821706619
+[Al]#P,0.32062969660995416
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.7584598554567831
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8663861117727286
+OCc1ccc(cc1N)[N+](=O)[O-],0.9327104325481109
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.594276785005081
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.541197721635591
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.9666467863248673
+C[n+]1cccc(c1)C(=O)O,0.06991077765776492
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.04770187101486032
+C[C@H](C(=O)N)Br,0.8598327446666871
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.16881757205177053
+Oc1cc(Cl)cc(c1)Cl,0.04170324365356593
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9924775879341059
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.07235081204915161
+Nc1ccc(c(c1)N)Cl,0.8466619822699881
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.017780783255062584
+O=S1(=O)OCCCO1,0.8616089368114263
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9925210812050468
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.25513143363151775
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.007840799518095257
+ONc1ccc(cc1)c1ccccc1,0.9136978840078264
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.42908033532805284
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0.25457587377704566
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.22992045729324284
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.329895621724283
+OCC(=O)CO,0.30214710027518293
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.8455113493049012
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.05617073434976694
+OCCCNP(=O)(N(CCCl)CCCl)O,0.9786837868060282
+COC(=O)C=C,0.18314561550014738
+CC(c1ccccc1)N(C)C,0.162715926185331
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.4273762231016616
+CC(Nc1nc(N)nc(n1)Cl)C,0.027335844971575898
+Nc1sc2c(n1)cc(c(c2)C)C,0.48512207577771554
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.36292980755857346
+Oc1[nH]cnc2-c1cnn2,0.2318568759509334
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9883857491165112
+CN(CCOC(=O)C(=C)C)C,0.05683526182764509
+CC1=CC[C@@H](CC1)C(=C)C,0.012499464315970987
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.2847757456166991
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.12726108400806038
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.7947770309199076
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.28436965597687774
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.5502974898319456
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.006405050222575546
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.8001436501837409
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.47748906911904815
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.922355929472073
+C/C=C/Cl,0.6334732830514467
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.024057791212583998
+[O-][N+](=O)c1cccc2c1snc2Cl,0.9357966267974721
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9680466250684676
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.0042258884800731745
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9902568039037593
+CSCCl,0.2021012564309509
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.9768088643318797
+CCOc1ccc(cc1)N=O,0.857981199841112
+CCl,0.32062969660995416
+ONc1ccc(cc1)/N=N/c1ccccc1,0.9247713562340226
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.1651348508104951
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.027274704294988874
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.8943266582717344
+CNc1ccc(cc1)/N=N/c1ccccc1,0.7662137348948652
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.8269733732017113
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.2630124208879225
+O=Cc1c(Cl)cccc1Cl,0.17472967071757772
+Clc1ccc(c(c1)O)Cl,0.06734045093988962
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.5807966835592445
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.9973668826049932
+FC(I)(F)F,0.32062969660995416
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.26733841553364607
+N1CCc2c(C1)cccc2,0.4219605439144045
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.0604497941355871
+CCCCCN(CCCCC)CCCCC,0.035695536466389836
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.9440724468528318
+On1nnc2c1cccc2,0.1894213150765792
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6321022577443922
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.42888764906179166
+CN1CCN(CC1)C,0.24513342028518303
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9911521427102582
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7986149155998776
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.01592072455057358
+O1CCOCCOc2c(OCCOCC1)cccc2,0.10749125024187559
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.43089567010733587
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9863218658502653
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.0025005219008053404
+Cc1ncc[nH]1,0.27684136102273826
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.7585721531768219
+C1O[C@H]1C=O,0.6342634881021243
+OCCCl,0.6320881853703232
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.9083456944913424
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.3996929450932092
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.20739399637277448
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9743705246197059
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.8888616442024783
+Nc1cc(nn1C)C1CC1,0.47793999635492823
+Nc1cccc(c1C)N,0.8373266267097383
+ClCCOC(=O)Cl,0.8349860853229084
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.013748371191702023
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.0524233677303195
+CC(Nc1nc(O)nc(n1)O)(C)C,0.048167843001810574
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.0003393292616624096
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.27805030278833
+Cc1ccccc1,0.20239467792059365
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.007150309819852788
+COC(=O)c1ccccc1N,0.26761503913023243
+[O-][N+](=O)c1ccccc1O,0.22776810063693712
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.8734713867519223
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.850173225007818
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.00296787320609268
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.01204179901724552
+Clc1ccc2c(c1)cccn2,0.5554238227584488
+OC(=O)COc1ccccc1,0.07389121420789385
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.9739505965219409
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.05960302470193343
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9514322035512701
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.5148207103126325
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.9122607682873344
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.3338522463820847
+CC(=O)OCN=[N+](C)[O-],0.5066311365672737
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.4625039438242438
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9718075087264398
+O=C1C=CC(=O)O1,0.37779175067534704
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.9044672928002606
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.02496170696869443
+[O-]P(=O)(OC)O,0.3432901724871272
+OCC(CBr)(CBr)CBr,0.7013809088331482
+CCC(CC(CC(Cl)C)Cl)Cl,0.47142066617941475
+CCOC(=O)N(CCOC(=O)C)N=O,0.9898523698140276
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.09614053355978275
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9967506168015743
+Nc1ccc(cc1)S(=O)(=O)O,0.2583029808888377
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.9315602738741207
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.4193718417515543
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8819928154914165
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.2903388735620694
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.9469119313237887
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9576513988041063
+C1C2SCC=CN2C1=O,0.22595707260797943
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.7682774123478258
+NC(=N)N,0.5326133975471422
+CNC1Cc2cccc3c2c(C1)ccc3,0.7648488364997515
+OC(=O)c1cccc2c1nccc2,0.2404712796858216
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.020949642370172387
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.361476210890695
+CCOP(=O)(OCC)OCC,0.2093241038191903
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.8732269614586643
+CCOCOCC,0.25054837209580055
+C/C(=N/O)/CC,0.7777661129660771
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9635101081112253
+NCCc1c[nH]c2c1cccc2,0.4244223366175014
+ONc1ncnc2c1nc[nH]2,0.9442456207705829
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6213052372747337
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.3632845346254439
+NC(=O)CCCCC(=O)N,0.36765595465405615
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8098912805162726
+NNC(=O)CNc1ccc2c(c1)cccc2,0.7746676501274049
+ClC(c1ccccc1)(Cl)Cl,0.8453626881379915
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.011908169369981101
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.28366689257235667
+ClCCOCCCl,0.6263949576566693
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9112590112233656
+CN(c1ccccc1)C,0.505153146971807
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.08909495569356742
+OC(=O)C(Oc1cccc2c1cccc2)C,0.12622704569152254
+Oc1ccc(c(c1)C(C)(C)C)O,0.013935879273608114
+NCCCl,0.824578559132363
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.969680755413427
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9982661460328407
+COC(=O)C1OC1c1ccccc1,0.08558711429677317
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.040564843274888004
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.9524406943614966
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.9607110280838279
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9278818519515505
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.2500762215776924
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9768528749952157
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.8566111106201088
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9753467572922956
+Cc1cccc(c1)N,0.43882412302577867
+CC(COC(=O)C=C)O,0.153771106650263
+CCCCCCCCCCCC[C@H]1CO1,0.3087683288487963
+ClC1CCN(CC1)N=O,0.9913509455115891
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9852547243675124
+O=C1C=C(O)C(=O)c2c1cccc2,0.5864849219171212
+CCCCCCCCCC=C,0.05933316875838016
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9828914314379957
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.03689120729337758
+Oc1ncnc2c1cccc2,0.1775664513066283
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.9698329723232719
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.5167955172210373
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.842401796476739
+O=C(c1ccccc1O)Oc1ccccc1,0.11585637711180195
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,0.9017401128065163
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.00840127284853412
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8751599390618928
+CN(C)C,0.3124252789947699
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.8521778013307908
+O=Nc1ccccc1C,0.7264415762380159
+O(CC1OC1)CCOCC1OC1,0.9564484183224646
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.33585682888691104
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.0007240919297105758
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.11262265139292538
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9909921394542117
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.010210473134362718
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9831245872044464
+BrC([N+](=O)[O-])(Br)Br,0.578135193547808
+CC(=O)CCC(=O)C,0.053184719084908856
+ClCc1ccc(cc1)F,0.510355234270723
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.46624482098609366
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.001471140489701192
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.07324337376790971
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.7082514816581241
+N#N=Nc1nc2c([nH]1)cccc2,0.775496017420605
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9911521427102582
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.5129393443132756
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.05555441747988945
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.9130931252732762
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.9100842780422854
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.6007515339432337
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.6949644669977528
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.003229844769420772
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.17521437076289748
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.1669224127174518
+OCC(=O)N(c1ccc(cc1)Cl)O,0.41647248260002595
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9493634826881112
+COCCOC(=O)C=C,0.24520896365131273
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.5579357293204557
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.012575360194844756
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.7113975652961605
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.21334042653912638
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.0015078583605195367
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.8409533683423713
+ClC(C(Cl)(Cl)Cl)Cl,0.3069207850733372
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.4764368876495676
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.11941763130486342
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0032420817350119354
+CC(=O)N(c1ccccc1C)O,0.3602251565776942
+ClC(=O)c1c(Cl)cccc1Cl,0.7905077917422352
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.7290495512948507
+[O-][N+](=O)c1ccnc2c1cccc2,0.9513281921051455
+Clc1cc(Cl)nc(n1)N,0.12408203710569514
+CC(=O)OC=C,0.2603662088449993
+OC(=O)/C=C/C(=O)CC(=O)C,0.02585584921118857
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9385403891435529
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.13495381725001795
+COC(=O)c1ccc(cc1)O,0.061980958502845566
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.6000928086943635
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.7196979270748578
+Oc1cc2nnsc2c(c1)C(=O)O,0.18971299267977737
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.7596199265036533
+CC1OC(C)CN(C1)N=O,0.9890394862545553
+O=c1[nH]cc(cc1O)C(F)(F)F,0.10271021375253273
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8719030845593877
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9250527255439781
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.047724277516321606
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.24365801606234394
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.04460226248547088
+O=CC(=C(C)C)Cl,0.9089349560403687
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9272109946508024
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.018706813724026074
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.7493487772849523
+COc1nsc2c1cccc2N,0.9287704151448437
+OCCOCCO,0.18212760650374393
+C=CC(=O)NCCC[N+](C)(C)C,0.09892631853307134
+Nc1cccc2c1cccn2,0.9219500104132103
+CN1CCNCC1,0.23564181434521328
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.8729629816732153
+CNC(=O)ONC(=O)NC,0.31103511223909447
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.7107451530216977
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.21833719811805688
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7835326768504477
+O=NN(CCCC(=O)c1cccnc1)C,0.98599166594605
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9767739431397431
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.013768250923417671
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.11360093691079039
+CCCCOc1ccc(cc1)N=O,0.6985971638191071
+Clc1cc(Cl)c(cc1Cl)Cl,0.06486058774448752
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.025032579830569286
+OC(=O)O.[Na+],0.0990955446965955
+COc1ccc2c(c1)sc(n2)N,0.7257837669494008
+Cc1ccc(o1)C=O,0.616587139323928
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.016221737228880623
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9302481656540034
+OCc1c2ccccc2cc2c1cccc2,0.6813288350547868
+Nc1ccc(cc1)Cl,0.4843227291396288
+CC(OOC(C)(C)C)(C)C,0.22151351103513206
+CC(NC(C)C)C,0.16113432907834355
+NNC(=O)c1ccncc1,0.2657207612571194
+Cc1cc2cccnc2c(c1)C(=O)O,0.4058564905067982
+ONC(=O)Cc1cn(cn1)N=O,0.8113243372698766
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.03498414147304828
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.7145606125818843
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.24463058050966638
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.16662049121138245
+CNC(=O)ON.Cl,0.661591820995894
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9796170857853662
+NC(=O)c1cnccc1C(F)(F)F,0.028145072757560265
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.04225730611405802
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.04751205220199842
+CCCCN(CCCCO)N=O,0.9544849856342953
+CCN(C(=O)N)N=O,0.9433603380589206
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.6717738878258923
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.004297279774682253
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.19476725981826964
+C1CCO1,0.1806620682380737
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.009070266208934979
+C1CCCCCC2C(CCCC1)O2,0.190178139062083
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.9103517252007748
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.24029708805959765
+CCC/C=C/C=O,0.794998934952014
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.9902140745197633
+ClCCNC(=O)N(CCCl)N=O,0.9962057725184938
+Nc1ccc(cc1)c1ccc(cc1)N,0.8732269614586643
+Fc1ccc2c(c1)sc(n2)O,0.6652601513822796
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9816988441408399
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9810516924125812
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.7993760077633719
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9450638424387405
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.7120162195758324
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.5581109291959285
+COCCOCCOC,0.36735611372181226
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.9968830509656518
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.14441029423514054
+O=CC=C(C)C,0.7742135998190163
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.24214861292204845
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.8159767494298327
+C[C@@H]1O[C@H]1c1ccccc1,0.679035769510827
+OC(C(F)(F)F)C(F)(F)F,0.057700702987202285
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.0257956572839367
+CC(CCCCCCCOC(=O)C(=C)C)C,0.007300566897655534
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.11997773197642292
+CCc1nccc(c1)C(=S)N,0.26904131198726106
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.0043358788970924746
+Nc1nc(O)c2c(n1)nn[nH]2,0.016539438678959212
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.146302260862869
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.0717206333419155
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.958707812348601
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.12792984971621765
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9437876648008969
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.8139106632193226
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,0.04929315831524118
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.21874577170959764
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.7133706535535025
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.1260875981375113
+NC(C(=O)O)CSC(C(F)F)(F)F,0.32275290924321953
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.00765303443951779
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.10589311190871385
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8522442462864672
+OCCNCCO,0.37994981942159733
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.029763176912551807
+Cc1cc(C)nc(n1)N,0.06354578262250851
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.5476150648959999
+NCN,0.32062969660995416
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.03285845255840909
+CC(C(O)C)O,0.1275320374975627
+OC(=O)c1ccccc1N,0.4354792576276898
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.03564071501463747
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.23753990873487174
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.25708613250281087
+OC(=O)/C=C/Cl,0.2718069244222755
+BrC(=C)C(=O)O,0.4940938198260916
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.7862933647676605
+Cc1ccc(c(c1)C)O,0.12012447621989544
+Nc1nc2c(s1)ccc1c2cccn1,0.7204948291226158
+C1CN2CCN1CC2,0.2635363774887525
+CSC(=O)c1cccc2c1snn2,0.5144984689017422
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.4559523147787872
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.11787790247129927
+CC(=O)OCc1ccccc1,0.43622478721043517
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9472138912200951
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.35385126778852033
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9797895867124051
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.008286318447155097
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.029730375497209933
+NNS(=O)(=O)c1ccc(cc1)C,0.1098603071616457
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.9387713978244495
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.2820273773399329
+O=C1CCCC=C1,0.5207929719522271
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.45840802720202234
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.1593485778870534
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.8063660107855667
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.2752812125692929
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.3036694984088913
+Cl[C@H]1O[C@H]1CBr,0.9079438969178764
+O=C1NC(=O)C(=C1Cl)Cl,0.7041280533442617
+Oc1nc2c(C)cccc2nc1O,0.48143016812046785
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.5919036454188467
+FC(C(Cl)(F)F)(Cl)F,0.21848822354777273
+NC1c2ccccc2-c2c1cccc2,0.5499780600276208
+CN(Cc1ccccc1)C,0.3930768333532505
+CC(=CC1C(C1(C)C)C(=O)O)C,0.0728876427794105
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.3732564993607211
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.32458386870244127
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.02761275930311149
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.7403740712586981
+Nc1cnc2c(c1)nc1n2cccc1,0.9125220793410024
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0024229830441749177
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.6800748864662655
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.05093742956995423
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8246148134262893
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.025179368400735938
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.17798899583634606
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.7972061231523692
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.34571278292852314
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.9431361370528842
+CN1CCC(=CC1)c1ccccc1,0.22009323499228403
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.05993221973762864
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.6745518509221197
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.05340651784898472
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.027403618652045155
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9796170857853662
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.851015515301671
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.003460962801809488
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.05253513454558186
+COc1cccc2c1nc(s2)N,0.2856355519836054
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.8784064648372782
+c1ccc2c(n1)c1[nH]ccc1cc2,0.7258655930210822
+CC(=O)Nc1cccc(c1)O,0.2881658320284827
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.026570256864853165
+ONc1cc(C)ccc1C,0.8585712584407432
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.47846080540740477
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.8987625562784762
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9885200146827683
+CC(=O)Oc1ccccc1C(=O)O,0.014629720459687433
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.05535881313345881
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.5068426174025183
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9438974116008545
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9352709876516517
+CN(C(=N)N(C)C)C,0.49938631012047724
+OC(=O)C(F)(F)F,0.07327760762128309
+CCCCN=NC(OO)(C)C,0.49070177786277325
+O=NN(CC(=O)COC(=O)C)C,0.9702220222113279
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.9525513425704736
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.7208912992980436
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.12251706241979095
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9931656022360866
+CC(=O)CCOOCCC(=O)C,0.03431507422858447
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.23314737161773597
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.3272121537484734
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.018440336410984613
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9086713581963496
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.7525371430658458
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.6534279073330959
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9710198210271729
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.6090456225924349
+Fc1ccc(c2c1ccc1c2nccc1)F,0.7997947541651946
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.23217923223835335
+OC(=O)c1cnccc1C(F)(F)F,0.025346886118277404
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.00942540358169485
+Cc1ccc(c(c1)O)O,0.33892385621849946
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.7685432145825954
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9904198152189927
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.052518719132890544
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.975173571722532
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.058192324123017516
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9204982339884206
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9617312524501694
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.6395220154811904
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.6385191369245746
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.038894239682992056
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.23214478848024822
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.922100542429043
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.2825100678481459
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9838356291270133
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.0034565549198381645
+Clc1cncc(c1)Cl,0.01602993728618875
+C[C@@]1(CO1)[C@H]1CO1,0.9576712257475317
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.5871082232174076
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9898019106508525
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.09464758738932168
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.8935557509608135
+Cc1c(C)ccc(c1C)C,0.3205073617232241
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.5807966835592445
+Cc1ccc(cc1)C(C)(C)C,0.027204335610883142
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.9815708025302523
+Nc1cccc(c1)c1ccccc1,0.9007340967758313
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7849246531471764
+CCCCN(C(=O)N)N=O,0.913232074211514
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.03215631468762942
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.5259962124381656
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.8923662966567262
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.155828049707514
+Clc1cccc(c1NC1=NCCN1)Cl,0.25714586033160597
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.6465121780810765
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.41184715315830733
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.9205759999424942
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9461946789523566
+CCCCN(CCO)N=O,0.9746643349723356
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.8757069740741783
+ONc1cc(ccc1C)[N+](=O)[O-],0.9770537727968611
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.820311685759766
+ClC([C@H]1OC1)(Cl)Cl,0.9118708761448744
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.005437424684664455
+BrCBr,0.32062969660995416
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.07930197980031625
+Nc1cccc(n1)N,0.508730506148566
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.9910694828846348
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.8057043557362648
+NC(=O)CBr,0.3740846540460453
+Clc1nc2ccccc2nc1Cl,0.2627442375360571
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9427955884362784
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.7485537143596278
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.319646438597453
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.01055573019333069
+ONc1ccc(cc1)[N+](=O)[O-],0.9801900813230265
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.2826032647187484
+O(Cc1ccccc1)CC1OC1,0.9398034394508888
+CCN(C(=N)N[N+](=O)[O-])N=O,0.9801793268701587
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.9441307571989448
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.24882555220298339
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.029644964941042865
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.9644501581586639
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9984997273978891
+CN1CCN=N1,0.8615118349474687
+CCCCOO,0.8087933954081895
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.04848565416074277
+CC(=O)OCc1ccc2c(c1)OCO2,0.601563077722947
+Cl[C@@H]1CO1,0.3240796951398135
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.37080708155764114
+BrCC(CBr)Br,0.7947665699936486
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9581246499054663
+CC[S@@](=O)CCSP(=O)(OC)OC,0.6823555430202031
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.8824710834584869
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.7267573553259703
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.8095007297211071
+CN1C=CN(C1/C=N/O)CCOCC#C,0.13064270586812546
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9418185656026354
+Clc1ccc(c(c1)Cl)N,0.35407289545015436
+Cc1cccnc1,0.11423651263718065
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5822150845041592
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.28366689257235667
+COc1cccc(c1)[N+](=O)[O-],0.8954455485605544
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.5604038252315572
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8599178980657168
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9074736508596154
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.5230174883077175
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.9891899819993599
+COc1cc(Cl)nnc1c1ccccc1,0.1766077514513665
+CN(N=Nc1ccccc1)C,0.860471497500533
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.6641240886109651
+NCCNCC,0.5537763233371996
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.007220721574145694
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.18424861648881669
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.06488920126387432
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.8133031485057242
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.09162811194890216
+CCN1CCOCC1,0.04470021994758011
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.9180531676506216
+O=C/C=C/c1ccccc1Cl,0.216663153103718
+Nc1cccc2c1nccc2,0.84966180889087
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9178147532726336
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.7204031387653919
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.5759733542953798
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.9066170227999552
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.1390568029448271
+CCN(N=O)CC,0.9632647362242956
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9925274187761236
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9406994860739594
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.21890682001364242
+Sc1ncnc2c1[nH]cn2,0.8087807188483048
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9921007913063562
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.04963268742161961
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.7585901178801682
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.8478309375991873
+[O-][n+]1ncc2c(c1)cccn2,0.135857928859637
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0.1591963518739174
+CCN(N(N=O)O)CC,0.752429616393675
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.8650593237253706
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.10744283217111922
+O1CC1,0.307888090127343
+COc1cccc(c1)N,0.8360596786875575
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.10298117673324765
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9941991849370226
+Cc1nccnc1C,0.16935746227244183
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.02437761570460615
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.1484082635690274
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.005167818877274193
+N#CC(N=NC(C#N)(C)C)(C)C,0.14503041031579728
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.8201213780413246
+CCN(c1ccc(cc1)N)CC,0.7147169312444178
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9950298353723318
+CCCCCC(=O)O,0.02058832637530375
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.7346853984233989
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.5799942526273305
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8907535678864349
+CC[Si](CC)(Cl)Cl,0.32062969660995416
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.11031638510601087
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.03345772162361463
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.22697599791859902
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.02755788240701484
+CCCSSCC=C,0.20703746085700375
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.6501627016310391
+CCC(Nc1snc2c1cccc2)C,0.11758522033993905
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.6843829294485458
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.003501010257668894
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9698799262232544
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.8246148134262893
+O=NN1CCCCCC1,0.9709287862177658
+CCCCOc1ccc(cc1)CC(=O)NO,0.2575543876762351
+CCCCOCCO,0.04388791700745605
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9493770656137448
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.0798674620173506
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8322003012439004
+NNc1ccccc1[N+](=O)[O-],0.8808131870944389
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.023454260772995294
+CCCCC,0.05600816923628638
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9040842283669999
+N[C@H](C(=O)O)CSCc1ccccc1,0.2045236970836325
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.9781110607212591
+CCCCCC(=O)OCC=C,0.023764239666467245
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.4720003358093022
+C=Cc1ccc(cc1)[N+](=O)[O-],0.6222696232306207
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.905708343200552
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.06784344006958763
+NNC(=O)N,0.3725047312551696
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9143000516786067
+Nc1ccc2c(c1)ccc1c2cccc1,0.966519036712108
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.7922385123138351
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.05600728491930633
+O=C/C=C\c1ccccc1,0.25055804843293417
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9862474808521748
+C=Cc1ccccc1C=C,0.1339167910031494
+O=S1(=O)CCCC1,0.26835550195685515
+CC(CC(=O)Nc1ccc(cc1)O)O,0.08443076315892775
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.9371641788772409
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5404288442443411
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9970675957518313
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.46511021294256916
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.8370682469750848
+Fc1ccc2c(c1)sc(n2)C(O)C,0.41494361670598484
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.7865319805482835
+Cc1ccc(c(c1)O)C(C)C,0.06261004865047294
+C=CCNCC=C,0.17941102636850478
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.7599455566323465
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.8406551066053479
+CC(=O)/C=C/c1ccco1,0.27026122217403714
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.5288150302780982
+COc1ccc(c(c1)OC)N,0.9436024608054921
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.8478397060326447
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.13584682550459634
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7230530017264598
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.959929071208231
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.36292784485718255
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.4116092985371397
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.8174565767116486
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.01240080554744309
+Cc1ccc(cc1)C,0.25128893649838985
+[O-][N+](=O)c1c(N)cccc1O,0.8416836322383648
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.002452658840271051
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.7183593143852688
+ClCBr,0.32062969660995416
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.05528745069253909
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.412962247890444
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7257676215486644
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.8417150008905464
+OCC(C1OC(=O)C(=C1O)O)O,0.18500558269501147
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9848887085343001
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.02405750957710758
+Cc1ccc(cc1)C(N)C,0.3378522102829379
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9844299837516826
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.09129348503793175
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.980878118406907
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9954095916924518
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.3247827128426164
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.5869410834071775
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.991491767881735
+Cc1ccc(cc1)C(O)(C)C,0.16158470037011902
+NC1CC(C)(C)N(C(C1)(C)C)O,0.15588507802288185
+CCCCN(CC[C@H](O)C)N=O,0.8707943884611484
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.4257673706282329
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.7121275179800123
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9868295561817966
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.02273362564599641
+OC(=O)c1ccccc1Cl,0.07961825520682218
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.8106600793118743
+OC(=O)C[C@@H](C(=O)O)C,0.1127243288607192
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.924288008940459
+CNNC,0.34354674072832797
+Oc1cnnc(n1)O,0.10905983802522781
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.5227395495124797
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.05962216697413047
+Cc1ccc2c(c1)nccc2,0.5122743936255111
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.3214564574226283
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9356701841186108
+CCCCN(COC(=O)C)N=O,0.9642163222678355
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9846441588275519
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.790212278777825
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.8761675142564147
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.259621585298561
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.8695338374249071
+CC1(C)C2CC3C(C1C2)(C)O3,0.024028070204883078
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.014793984097583084
+O=CN(c1ccc2c(c1)cccc2)O,0.6169575726517268
+Cl[Cu]Cl,0.32062969660995416
+COC1OC1(C)C,0.5549114315239666
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8902554403463497
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.0626117704218128
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.8122514676634722
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.0012417225444163792
+Clc1ccc(cc1)[N+](=O)[O-],0.6119903341140823
+CCC(=O)Nc1snc2c1cccc2,0.2546788828089282
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.26223669945353906
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8421167660515748
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.29226539882613056
+OC1C=CC=CC1O,0.5526395558940101
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9742394297240053
+CCCCc1c(=O)nc([nH]c1C)NCC,0.025405179284064043
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.6433234515995285
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.3225396020819256
+BrCC#N,0.29600362464193286
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.6441933289552189
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.398189819184396
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9244856181213773
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.1460069010045486
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.18346761810282922
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.8764672569054148
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.1884957102772303
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.9858923833335956
+COc1ccccc1c1ccccc1,0.5374816870207682
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9518964309566244
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.10965250920043838
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.03771055155187026
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.19854466384933095
+Nc1cccc2c1cc1ccccc1c2,0.8907134829047676
+NN1C(=O)c2c(C1=O)cccc2,0.3719338447677745
+CCOC(=O)CC(=O)C,0.026790733037657822
+COC(=O)CC(=O)OC,0.16942170478983298
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.732542825306954
+CNC(=O)Nc1ccc(cc1)Br,0.027456326073580038
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.9157108019734705
+CC(=O)Nc1cccc2c1nccc2,0.6488135605298531
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.9319626580424832
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.8758525471457785
+CCC1OC1c1ccccc1,0.29997331112155823
+O1CCOCCOCCOCC1,0.307888090127343
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.8016872091707729
+CC(CO)Cl,0.7983974054584537
+N#N=NCCC(C(=O)O)N,0.9797913965904529
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9275286432728729
+N[C@@H](C(=O)O)Cc1ccccc1,0.26686453510700303
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.353332345534936
+Cn1c(N)nc2c1c1cccnc1cc2,0.9601754107213978
+OC(=O)c1c(N)cccc1N,0.339561784893972
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.28057767953935253
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.7810932911629607
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9554129471987289
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.04329125519288462
+CCCCOP(=O)(OCCCC)OCCCC,0.057071554396215245
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9955973408741214
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.7896291488877007
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.03173701176734084
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.02975291915108814
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.646988837488229
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.08900239370546367
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.06650764061693344
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.04082552725031411
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.08568576084506076
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.6549839660385873
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.08884723210763829
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.00601417657582886
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9680466250684676
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.842401796476739
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8671809009402172
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.406340945227809
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9212498763194077
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.31708912791614047
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.9604671150930687
+O/N=C/C(=O)Nc1ccccc1,0.5238408533606873
+ClN1C2C1c1ccccc1-c1c2cccc1,0.8650191060910433
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.02284903619980494
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.9057267794650464
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.6994594594248408
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.5970526580334902
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.5167173177040774
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.13308777940865968
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.9607047491437988
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,0.10457918695815561
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9718667870853198
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.09111602516745222
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.056596883197218194
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.026578900469767255
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9239190153079668
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.6500368086577991
+COP(=O)(O)O,0.2959677502704891
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.2754455845628819
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9425722828216
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.4805843865393905
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.05268097427061312
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.0006336764567194023
+C[C@H](CO)Cl,0.7825797647376048
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.28882552339247874
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.3102655123524193
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.2280821453436119
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.66832326262823
+CNc1c(C)cc2c(c1N)cccn2,0.9615565951073389
+OC1COC(=C(C1=O)O)C,0.6746389924024615
+Cc1ccc2c(n1)cccc2,0.29101811317154136
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9974727035848531
+Clc1cccc2c1cccn2,0.46155601393567736
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9643459369086657
+COc1cc(CCC(=O)C)ccc1O,0.19438220881373836
+[O-]P(=O)=O.[Na+].[Na+],0.24632558466188295
+Cc1nsc(c1)N,0.7499876374065179
+Oc1nncc2c1cccc2,0.11510055995589477
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.7170551075181444
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.007102652851361774
+Clc1ccc(c(n1)C(=O)O)Cl,0.025817596514747573
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9839080470014147
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.9859544276106706
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.7510482332146147
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.9331526899820921
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.8270654269711647
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.027877678862757542
+CCOC(=O)CNC(=O)[C@H](Br)C,0.6353825978547029
+NC(=O)Nc1ccc(cc1)C,0.20012691141970151
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9561168250140446
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0.12169731544881268
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.02275330436513155
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.05605406074113695
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.21435211270170368
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,0.0032981301533204764
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6976483811885529
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.6905294957643422
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9387844479862604
+CCC(C)(C)C,0.030157487665187038
+CCCCCCCCCCCCCCCC(=O)O,0.02121776036920128
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.7512619398495691
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.04170953687006771
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8575107605524517
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.7483895838357452
+ClCCOP(OCCCl)OCCCl,0.5441903732207544
+Nc1ccccc1S,0.6596982952594662
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.8125973761973678
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0.013121536073315895
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.12390159532460587
+COc1cc(C=O)ccc1OC,0.10082688999948286
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.3152586232355097
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9867407369227642
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9169949546131183
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.06324319729148595
+COc1ccc(cc1)C=C,0.20649318477658124
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.9121913641574375
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.09676420267230013
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.03503320200491299
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9954899875191677
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.20134303933392306
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.0001946757488282785
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.12194619776554161
+Cn1c(N)nc2c1cc1cnccc1n2,0.42974347322531564
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.2323996470788568
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.011232799566247289
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.12277069056575829
+CC(CCOC(=O)C)C,0.12371224810885834
+O=NN1CCC[C@@H](C1)O,0.960282887805949
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.3279538944720234
+CC(C(C)C)C,0.23653567324253583
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.8352473302299503
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.1170150294455666
+CN(N=O)CCCC,0.9575579168431295
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6365257562676342
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.004955639885327881
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.14669050931358957
+ClC(Br)(Cl)Cl,0.3174702233511158
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9954291053824114
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.05511660986117624
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9746977840473671
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.28295525182532993
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.9936882560181394
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.9039518328815289
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.9230365048022674
+Clc1ccc(c(c1)C(=O)O)Cl,0.15056599411176513
+O=NN1CSCC1,0.7478152016689465
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.8570387665964728
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.9154483501548183
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.541700576503997
+C/C(=C\C=O)/Cl,0.6422294639020214
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9980697224275022
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.03960196611888652
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9435821815836809
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.008950034375387805
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8479072820838393
+Nc1cc2nc3ccccc3nc2cc1N,0.8512512857631316
+CC(N)C,0.18408875131710237
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9899975257790828
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9904499935455459
+N#CC1(O)CCCCC1,0.07127258252697782
+ClCc1c2ccccc2cc2c1cccc2,0.8411275577303422
+OC(=O)c1ccco1,0.05235887793902892
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.8294891917382756
+C=CC=O,0.5023761031867925
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.6971755885986535
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.7186302491175515
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.381171652340005
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.9578840713778235
+ClCc1ccc(cc1)C,0.34679935970624515
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.18359287017396336
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.8978756742042204
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.05433840326240743
+CCCC[C@H](COCCCN)CC,0.0366054673024889
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.41052784006716186
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.6779696286678227
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.9647389962611405
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.10771801185254669
+CCCCCCCCCCCCN(N=O)C,0.9206915231191242
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.3528225662239282
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9630986013299377
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.6756429691903245
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.8478559994918338
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.1887656748152038
+ClCC(Cl)Cl,0.5883733013933488
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.026282471746760117
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.8597929523757726
+CN1CCC=C2C1CCc1c2nc(s1)N,0.46928580184152485
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.053295793546291416
+ClCC#N,0.2136664374062044
+C=Cc1ccc(cc1)N,0.4687592096684029
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.08424685313263018
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6143247030953181
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.12413315974074314
+CN(C(=S)SSC(=S)N(C)C)C,0.29136736755883086
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.05108565358521166
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.0275037730822486
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.9495990627911987
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.09649798099661563
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.697053786347783
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.09522806444453079
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9567359474839449
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.996650919639086
+C1CCC2C(C1)c1ccccc1C=C2,0.5649416238794314
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.023521481931694947
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.9442552491202106
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.022318490729342513
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.8595804097020517
+N#N=NCC(C(C(C(CO)O)O)O)O,0.9835822039944864
+[O-][N+](=O)CCO,0.4340128447652504
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9547361879714943
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8296206547138238
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.005192778356960908
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.008305573502952895
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.5641042097227095
+CCOP(=S)(SCCl)OCC,0.22628947389490905
+Oc1ccccc1c1ccccc1,0.5392270510038583
+Clc1nnc(c(c1)O)c1ccccc1,0.18260721440280991
+COc1cccc(c1O)C=O,0.08049814562531882
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.3026131357211192
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.010583855969256737
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9461507536463282
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.15811739082526732
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.9335444152112637
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.33550258369505503
+Cc1ccccc1Cl,0.08056978953250897
+O=N#Cc1cc(C)cc(c1)C#N=O,0.21668977526591182
+NC(=O)c1ccccc1C(F)(F)F,0.025953395981666107
+C/C=C/c1ccc(cc1OC)OC,0.7858203757793498
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.9013127772335466
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9549639839673174
+C=CN=Nc1ccccc1,0.4048609933836732
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.0020223525564945785
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9756138796983732
+CCN(c1ccc(c(c1)O)N=O)CC,0.7304443267820904
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.9697407926673828
+Oc1ccc(cc1)C(=O)O,0.06836067189911357
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9861972346398253
+OC/C(=C(/CO)\Br)/Br,0.42932691267101525
+NC(=O)Cc1cccc2c1cccc2,0.2966472628784226
+c1nccs1,0.5215798197597872
+CC(=O)c1ccco1,0.16519103365139584
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.017015291565756117
+CSCNc1ccccc1,0.4661318384261417
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9122266514046061
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.7796735396826562
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9846083165369687
+N[C@H](C(=O)O)CS/C=C/Cl,0.7995782967562184
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9500648470709845
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.059219391956827204
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.04935142425034118
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.2368507850521768
+C[N+](Cc1ccccc1)(C)C,0.08714822971322653
+COC(=O)C1=CCCN(C1)N=O,0.8232816453804952
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.045709940480133944
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.16104202290603328
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.9771732008732706
+ClCC(=O)Nc1c(CC)cccc1CC,0.6223432767828222
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9830238570592347
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9981089191609037
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.16815950821407671
+COP(=O)(SC)OC,0.3470159819848454
+Clc1cnc2c(c1)cccc2,0.28844032398804664
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.024234962578071242
+COC(=O)Nc1nc2c([nH]1)cccc2,0.25521322238388
+O=C=Nc1ccc(c(c1)N=C=O)C,0.5138411605570778
+CCCCNCC,0.12089234098073276
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.018527459191395045
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9031511489093493
+Nc1ccccc1c1ccccc1.Cl,0.7940185183011865
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9290590199967259
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.012921771664436447
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.0506704434624007
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.00784678812941283
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.21169796253705617
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.1647910498268345
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.22371469997895993
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.9816619344460225
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.011255273258861276
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7959191691896985
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.7565722967758168
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.1936840688760737
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.030497571560580732
+N=C(NC(=N)N)NCCc1ccccc1,0.17898957525240097
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.9576552403480787
+COO,0.8242767209801094
+Nc1ncn[nH]1,0.11433079290551089
+Cc1ccc2c(c1)c(N)sn2,0.7628788450672523
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9920218605531798
+NNc1nncc2c1cncc2,0.6716446793653453
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.0240674664536855
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.6668990299660971
+Fc1ccc2c(c1)c1ncccc1cc2,0.7656331802805274
+CC(=C)C(=O)OCCO,0.06481894839186533
+NC(=O)c1ccccc1,0.14826098022707196
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.7626509959211838
+ClCC(C(=C)Cl)Cl,0.5813371055337684
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.42090732460794616
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9918695680274034
+Clc1cc(Cl)c2c(c1O)nccc2,0.34268421098334717
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.0073015685110123674
+ClCC(CCl)Br,0.6895312229530074
+N#Cc1cccc2c1nccc2,0.29008680768909345
+O=C1CCCCCN1,0.14390253699012925
+CC(Cl)(Cl)C,0.22888997844568532
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.00778331248606979
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.5513428030259544
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.46315850472081305
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.1697474008737114
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.9867940347453056
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.985597140763556
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.003927547301726038
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.7500826884858559
+CNC(=O)N(C(=O)NC)O,0.36479564438614576
+O=CC1=CCCC2(C1(C=O)C2)C,0.5312911037727189
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.015393334685278107
+Clc1cccc(c1)Br,0.026943048406495654
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.07898787319924694
+Nc1c2ccccc2cc2c1cccc2,0.7030291958433448
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.984648725320912
+CCCCCCCCCCC,0.07059032494772513
+CCCN(CCC)CCC,0.07759354521463438
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.08318118890454278
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.0817758805094097
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.5984031721282238
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.006758110923595352
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.6448788152256654
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.010787729405131037
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.5515365315086553
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8665795983750578
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.9477647710827671
+CC[n+]1c2ccccc2nc2c1cccc2,0.9335820787366236
+CC(=O)ON(c1ccccc1C)C(=O)C,0.8877348045535475
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.007948561054495368
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.33731017170559996
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.8225283394955801
+O=NN(C(=O)C)C,0.9599558756196093
+CNC(=O)NC,0.4212037539606312
+CCOC(=O)C,0.34452566230799714
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.04566769359400656
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.06324319729148595
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.041753693511397245
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.011079824991486941
+c1ccc2c(c1)[nH]cn2,0.3323914403731627
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.25608613289659216
+[O-]P([O-])[O-].[K+].[K+].[K+],0.19538836425372597
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.007285650746357844
+N#Cc1ccccc1C,0.13596298138636223
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.8511210977620919
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.07217988538056491
+OC(=O)C(=O)O,0.17047861355601426
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.006698802941743056
+CN(C(=O)C#N)C,0.19107300842982272
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.003162169523245902
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.20814466660869912
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9539971077490329
+OC(=O)Cc1ccccc1Cl,0.07910352401726044
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.0052042127546269405
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.035308023248065666
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4079590273240874
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9391040189558207
+O=NN(Cc1ccccc1)Cc1ccccc1,0.867372931949454
+CCCC(=O)OC1CCCCC1,0.04760008714912339
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.9315238163174501
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.04559949009290042
+CN=C=O,0.2073486625577371
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9895456962128086
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9153203209214721
+CCCCCC(/C=C/C=O)O,0.5183558673928196
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.19264907308349763
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.01356798756801615
+OC(=O)O.N,0.11166311796599665
+CC(=O)C(=O)C,0.2776787584078841
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.445881292395069
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.982369953423876
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.9831375525226869
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.03681032574928042
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9616419169706063
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.993256029835985
+CC/C=C/[C@H](C=O)CC,0.09392928265225303
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.03411414309042987
+FC(OC(C(Cl)F)(F)F)F,0.12143534296499404
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.8288599523881864
+OCc1ccc(cc1)C,0.1088031003592074
+OCC1CC1,0.19005093392725256
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.7897775872399357
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.4845226462361861
+OCC(C(CO)O)O,0.4577614266769011
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.28240032461053927
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9692056514544466
+BrCCBr,0.7568135610724772
+N#Cc1cccc(c1)C,0.13833436148873907
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9813222063840985
+CC(=O)C,0.15445176274812106
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.02716514376306764
+O=NN1CCNC1=O,0.987408486011493
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.8843462767970787
+COc1ccc(cc1)C1OC1C,0.600265893922069
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.5727435846251839
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.20779921663039747
+COC(=O)C,0.4902296020282715
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.8490580149154963
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.11342081348425
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.039191133766248144
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.21763480201676091
+C1C[N@@]2CC[N@]1CC2,0.25799483382317806
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.8518614526513358
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.8830033532760057
+CCN(c1ccccc1)N,0.48661134078561896
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.05979903398420567
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.9495145977651239
+Nc1ccc2c(c1)oc1c2cccc1,0.780936817822968
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.9352226614127955
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0018697903761912666
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.8408798656643907
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.12955040214851174
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9830339750888635
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.07156324215259173
+CC(=O)NNC(=O)c1ccccn1,0.2678633798146318
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.9090507007434825
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.0018814491225184618
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.2528952326544198
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.8736278378938691
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.5804984022834944
+ONc1cccc2c1cccc2,0.911576654827666
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.9511477843182782
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.05560174751919131
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.9463382286809037
+CCS(=O)CCSP(=O)(OC)OC,0.6910557487953961
+Clc1ccc(c(c1Cl)O)Cl,0.12470468528551386
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.0024903378032671173
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5508494482981147
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.45697584548357373
+N#Cc1ccccc1C#N,0.1513689788646975
+OCCn1c(CO)ncc1[N+](=O)[O-],0.8273209548346648
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.7015721512584948
+O=Cc1ccccc1O,0.14987409339676783
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9137855366127761
+Cc1cc(C)c(cc1C)C,0.3759442438767942
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.003162169523245902
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4321983348812669
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.6802488814807127
+CCOC(=O)c1cccc2c1nccc2,0.08741200458594346
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.7376003924004115
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9749458780178083
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9825705109242385
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.08149440122051917
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.33382947489175624
+ClCCN([P@](=O)(O)N)CCCl,0.9617461877445002
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.03570554056889291
+OC(=O)/C=C/c1ccc(cc1)N,0.4225177861774141
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.17136078474367014
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.00927771628316679
+O=Nc1cccc(c1C)[N+](=O)[O-],0.9557563810791557
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9564521451913034
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0.17563306189534314
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.3947651079449848
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.841207716060151
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.7668725533148861
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.017827383625708577
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.8709508949411617
+ONC(=O)c1ccccc1,0.7695046927341792
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,0.04090092207957724
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9923253806578995
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.9686078510048325
+Nc1ccc(cc1)[N+](=O)[O-],0.9284203170386796
+COc1cc(C=O)ccc1O,0.14410304239335306
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.9795993761309681
+O=C/C(=C(/C(=O)O)\Br)/Br,0.6196066755613987
+CC(CCNc1snc2c1cccc2)C,0.2170383809245361
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.4854119904989322
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.35513344018011467
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.4224843014487251
+c1ccc2c(c1)scn2,0.3313384414019436
+c1ccc2c(c1)cnc1c2cccc1,0.8353388528553953
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.4937352382411906
+CCCCCCCCCCCCCC(=O)O,0.02121776036920128
+O=NN1CCO[C@H](C1)O,0.9338660982764471
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.6796199757310261
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.0011953719561908402
+O=CC(=O)O,0.4379524574533929
+CCCCN(C[C@@H](CCO)O)N=O,0.926205332719426
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.08175084862000351
+OC(=O)c1ccc(cc1)C(=O)O,0.11997816416340791
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.2352165698624376
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.9861736812440774
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.9559500516585454
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.020556193036613695
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.9917191557938458
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.23330480300732903
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9169949546131183
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0.00044476598433654675
+OCc1ccc(cc1)OC(=O)C,0.1502134672406558
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8354240936380208
+ON1CN(Cl)CN(C1)Cl,0.23275462962679708
+O(Cc1cccc2c1cccc2)CC1CO1,0.9825705109242385
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8345002719509047
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9452923625315407
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.014062650779997422
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.9763596760925857
+CCCCCCCCCCCC(=O)O,0.02121776036920128
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.05517412094541473
+CCCCCCOC[C@H]1CO1,0.6017819843267946
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.0438589744648639
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.556651370306577
+CC1=CC(=O)C(=CC1=O)C,0.16348471287942418
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.8414147280443168
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.06201191939948215
+OC(=O)/C=C\C(=O)O,0.10033877770298208
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.04943025264864899
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.8352473302299503
+Cc1ccc(c(c1)C)C,0.32575729003286374
+CCCCN(CCC)N=O,0.9620401885571997
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.0775449704942424
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.8098654914536645
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8953784097894522
+CNC(=O)NO,0.7358350994975728
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9900888573039749
+Cc1cc(=O)[nH]c(=S)[nH]1,0.14236621491362997
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.15811739082526732
+CCCCO,0.09886287980221202
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9516526504150286
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9860532782476267
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.045326712610119085
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8343808585964873
+Cc1c(C)cccc1C,0.22035143621532408
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.307088408851502
+Cc1ccc2c(c1C)cccc2,0.5186265681189984
+ClCCCN(C)C,0.24441117948807345
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.8897125820828409
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.06643247948326478
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.026732475941441177
+COc1nsc2c1cc(OCC1CO1)cc2,0.9776512502106138
+[CH2-][N+](=O)[O-],0.46862281135674283
+CCOC(C)(C)C,0.41321942620989177
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9883747525490205
+C=CCN(CC=C)N=O,0.9017919965668889
+CCCCCCCCCCCCO,0.05343420588937014
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.013211139081707861
+CCOc1ccc(cc1)[N+](=O)[O-],0.7286862710344308
+COc1c2ccc(=O)oc2cc2c1cco2,0.06580525968297322
+O=C1C=CC(=NC(=O)C)C=C1,0.24555070853253136
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.39123590395285157
+CNc1ccc(cc1)N=Nc1ccccc1,0.713019310864305
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.09471029506379829
+OCCCCN(CCO)N=O,0.988388285396221
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.2492834331425931
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.911988107207441
+O1OC2c3c(C1c1c2cccc1)cccc3,0.38980111044718085
+COc1ccc(cc1)O,0.2661722841536627
+CCCOC(=O)C(=C)C,0.019850776022436973
+CC(=O)Nc1snc2c1cccc2,0.44344384768204304
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.13598427478919006
+OCCN(CCO)C,0.20402226905793233
+ClCCSCCCl,0.9240410875068544
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.7877592633972843
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.7803061581296478
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.044007485192789096
+ClCc1ccc(cc1)Cl,0.2608511110547761
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.002720185224151626
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9422828581745643
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9289056755167656
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.008444155316702517
+CCCCC/C=C/C=C/C=O,0.855381849145965
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.034545229498903665
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,0.016444227669281806
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9440175658871405
+CN(c1ccncc1)C,0.26516664456694855
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9953736915588643
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.023078862497275657
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8855696751955315
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.8961005664776943
+Cc1ccnc2c1cccc2,0.15135727277810815
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.23756045619039526
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.02178042751263656
+OC(=O)CCCCCCCCC(=O)O,0.06394194232805844
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.8756471725576812
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.7393080449641724
+COc1cc(OC)nc(n1)N,0.07981181107157696
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.9181372877024131
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.02825754137509374
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.025226318500740395
+N#CCc1ccccc1,0.26386062023271994
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.9107852389453701
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.03153247963125159
+CC(=O)Nc1ccc2c(c1)cccn2,0.6404635727170026
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.9943649003013173
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.7878543084404372
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.9938441223235309
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.6259690968633227
+Nc1ccc(cc1)Sc1ccccc1,0.7740741761530353
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.014195205845990303
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.03316532444775054
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.21604518928303515
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.1895533140424646
+C=CCCC(C=O)CC,0.14262055429565307
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.980073819221225
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.2594201544105945
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.9793602191739783
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9306712764046644
+Oc1cc(O)cc(c1)O.O.O,0.1724076938698258
+[O-][N+](=O)c1cnc(n1C)C,0.930626635779071
+COC(=O)c1ccccc1S(=O)(=O)N,0.015293341963808844
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.004926995850314619
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.19396237711931832
+C=CCC[C@H]1CO1,0.7393520567436925
+CCCCCC[N+](=O)[O-],0.1006244837390033
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.8168121471836958
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9137082875904186
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.9045299886182765
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.8188425000539609
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.08729986021552445
+OCc1ccc(cc1)C(F)(F)F,0.033095663064369736
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9281276473507089
+Cc1c(NC)ccc2c1nccn2,0.8262408570654872
+COc1c2cc(OC)ccc2nc2c1cco2,0.7363260052780514
+ONc1cccc(c1C)C,0.8859698355562482
+C[C@@H]1CNC[C@H](O1)C,0.4262378120136477
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7264064212974544
+C1CCNC(=O)N1N=O,0.9830864785167188
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.04311189376212051
+ClC(Cl)Cl,0.3174702233511158
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6269550778339005
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.7869803409426764
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.8553625034858651
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.051169696873974706
+CCCCC/C(=C/c1ccccc1)/C=O,0.11820360296977676
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.724108960079051
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0.16843125548971333
+CC(COS(=O)(=O)C)C,0.8609101660210232
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.8654788494943061
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.09884179993802256
+C1CNCCO1,0.15669016044396952
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.23101082962783592
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.0016128989900412556
+NC(=O)O[C@H]1CO1,0.6359407146924323
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.16664375036888326
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5958990565747421
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.9224182005004563
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.040071848972973494
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5542954838935513
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.8015319029857463
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.0736488405680864
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.37509886126211667
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.7565722967758168
+CC/C=C/C=C/C=C/C=C/C=O,0.960541724466
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.14286635218794552
+COC(=O)COc1ccc(cc1Cl)Cl,0.0799244608972851
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.023370630427366354
+COC(=O)c1ccc(cc1)C=O,0.06230687001769375
+C1CCCO1,0.17812141153655706
+NNc1nncc2c1cccn2,0.8219001906464044
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.8920374536683963
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.57395244587143
+Oc1ccc(cc1)c1ccccc1,0.3121120231088034
+Cl[Si](Cl)(Cl)Cl,0.3174702233511158
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9748744511774576
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8138930345385502
+CCOC(=O)OCC,0.07959398642392475
+CNC,0.2052141998689803
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.23729552553208372
+[O-][n+]1cccc2c1C1OC1C=C2,0.7042442508490041
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.665998468880737
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.01797325365993626
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.006803361270624551
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.992607958906195
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.016158844626912455
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9754172995593207
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.07298924682649928
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.628737267724947
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.14113814427699276
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.019331180955580823
+CC(CN1CC(OC1=O)C)O,0.19234158161344297
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.5543108881697026
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.9426487457324535
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.7801824721041251
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.5602957048528041
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.2163651344715877
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.04165179652045537
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.9905700971036558
+CCC(=O)C(=O)CC,0.28366399815695276
+OC(=O)CCP(=O)(O)C,0.04905740832433871
+ONc1ccc2-c3c(Cc2c1)cccc3,0.9512092886684728
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9156497412847504
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.396645174854086
+OC(=O)c1ccccc1S(=O)(=O)N,0.011268708948960714
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.9935968501010859
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.07398532889754364
+FC(c1ccc(cc1)Cl)(F)F,0.03732847621544423
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9712802977037411
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.9880494082721722
+Cl[C@H](C#N)Br,0.2136664374062044
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9744413875453308
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.3946149937921941
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.30228902057652113
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.9876437792257088
+CO,0.3174702233511158
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.5502775775500846
+[O-][N+](=O)c1cccc2c1nccc2,0.8882725533753737
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.07175120759224293
+CCOc1ccccc1C(=O)N,0.17643220419360445
+O=NN(c1ccccc1)O,0.4463831746262939
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.6095843834760141
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.01907705593612328
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8687404736507063
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.7343822903839107
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.14237365555910736
+CNC(=O)ONC(=O)C,0.593556649374589
+CC(C(C)(C)C)OP(=O)(F)C,0.02871032035598653
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9439159633383903
+CC(CNCC(C)C)C,0.07615034328195237
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.8652784383796371
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.16153379139471982
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.561454746527012
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9237872206942904
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.03986497381197857
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.05198296300123423
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.05079629146658558
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.02453817386044605
+O=C/C(=C(/C(=O)O)\Cl)/C,0.6255933632520893
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.7731189061559375
+Cn1c(N)nc2c1cc1ncccc1n2,0.940432893474232
+Cl/C=C(/C(Cl)Cl)\Cl,0.9321197325710674
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.007300303912733312
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9169949546131183
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.16305372296436327
+C1CCCCC1,0.1931161495663207
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6040889699365776
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9084551668002669
+O=Nc1ncn(c1c1ccccc1)C,0.6960355162713886
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.04370845358621489
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9541180501909508
+O=c1ccc2c(o1)cccc2,0.1386917900998177
+Nc1ccc(c(c1)Cl)C.Cl,0.47108079361383437
+OCCOC(=O)C=C,0.06002026013396818
+ClC(C(Cl)Cl)Cl,0.3107901612256047
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.9787208479330892
+OC(=O)C(Cl)(Cl)Cl,0.22336167024089554
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.0016734470392952116
+CC(=O)NO,0.8361555211985855
+Cc1ccccc1C,0.27057678459168605
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.12187337146532708
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.7718725403267627
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.18201132540574588
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.987263912391575
+CN(CC[C@@H](N(C)C)C)C,0.09581313890430877
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.1780865797662483
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.4582949306476416
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.07424278336833223
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.4651871345497988
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.3932673726192518
+c1ccco1,0.2219841418355223
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.36751558961270026
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.6418473481877768
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.7509760166787323
+Oc1ccc(c(c1)C)Cl,0.054110161674561244
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.9830237640217772
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.833821704835442
+CCCC[C@H](COCCC#N)CC,0.028312085191059846
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.9708352470732095
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.45741523764078856
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.10467517620541321
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.3730260947007137
+CC(=C)C,0.3226366472649749
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.9686091055961058
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.051766764866057594
+OC[C@@H](CCl)O,0.5512930821209295
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.9863497840979578
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.273479140302333
+OCCSN=O,0.5022264073072327
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.6078397481433717
+ClCCNc1ccc(cc1)C,0.8920305148140037
+Nc1ccc(cc1)C(=O)N,0.5504295209848356
+Sc1ccccc1,0.2859310212767293
+CCOS(=O)(=O)C,0.9609797389826459
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.995182596462505
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.747352524202274
+CCCCCCCCCCCCOC[C@@H]1OC1,0.6017819843267946
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.041577612878819545
+CCNc1nc(N)nc(n1)Cl,0.0502975183954123
+COC1=CC(=O)C=CC1=O,0.15574327532921228
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.3827955312675292
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5524697396076288
+CCCCSCCC(C(=O)O)N,0.1355253261827338
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.6393596660509739
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.9382629206972936
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.9109745427604198
+CCOc1nc(NC)nc(n1)N,0.0330993456667994
+Nc1c2ccccc2nc2c1cccc2,0.793401970262648
+O1CCOCCOCCOCCOCC1,0.37053804288154796
+C=CC(=O)OCCN(C)C,0.20954872017324944
+CCCCN(CC)CC,0.10676669439790758
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9988867003378524
+CCC(=O)C=C,0.1679089491280348
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.002305158214883206
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.02267354617086348
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.0006773841071126984
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.40076318409922324
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9927415862551507
+O=Cc1cccc(c1)Cl,0.07719467032091917
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.980073819221225
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8942109021251144
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.11865115936568167
+ClC(=O)C(Cl)Cl,0.9310051364576294
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.02213295903445576
+[O-][n+]1ncc2c(c1)cccc2,0.16684516444539602
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.23467857556702154
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.6534592347120883
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.06293765909035193
+NCCc1c[nH]c2c1cccc2.Cl,0.4536472719255057
+OC(=O)C(Cn1cncc1)N,0.2222106362037885
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.007595501637117351
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.818455913864613
+COc1ccc(cc1)CNC(=O)C(Br)C,0.9755176183862019
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.8345081392956132
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.6255485716998602
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.022478538125910583
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.6367769291604942
+COc1ccccc1C[C@H]1CO1,0.9613690238816782
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9477745745998385
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.871769977728804
+CNC(=O)Oc1cccc2c1cccc2,0.45309550796632414
+CC(C(=O)NCc1ccccc1)Cl,0.6941204795494759
+CCC(OC)(C)C,0.21934481196401298
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.3869850868109107
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9769918909993098
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.17262597855816078
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.49490072590464995
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8945127686105263
+c1ccc2c(c1)ccc1c2nccc1,0.6232240487068963
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.0733913337191247
+CC(O)C,0.17301913423683107
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.20779921663039747
+c1ccc2c(c1)occ2,0.07759656232643235
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.6847661530370849
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.02938860625649686
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.8607618590196078
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.4808395975678332
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.011967224656075628
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.992054586354001
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.02190025269623326
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.8848476943330168
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.8038335332705794
+Cc1ccc(cc1)CC[C@@H]1OC1,0.8266748174505522
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.06899503949833086
+CC(C[C@H](N)C)C,0.06872312407375905
+BrCCOC(=O)C(=O)OCCBr,0.909042422722116
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.8873292959519106
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.004065897910275439
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.8730013099490127
+BrCC(CBr)Cl,0.8439337486062223
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.16732208178472668
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.3445310680628538
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.058610958431721566
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.9431925466242408
+O=CC(=C(Cl)Cl)Cl,0.9107792526168911
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.7920850730408058
+ClC(C[C@@H]1OC1)(Cl)Cl,0.8236542763632092
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.7541362740425462
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.32469965581430016
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.031017057489431357
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.012311817087781143
+CBr,0.3174702233511158
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.3026131357211192
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9981706072202522
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.007285650746357844
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.7117640726449784
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.022217332925039097
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.01769003713573929
+O=NN(Cc1ccccc1)C,0.8366751709069792
+O=C1C(=O)c2c3c1cccc3ccc2,0.6999310072670796
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.5745951329513087
+COc1ccccc1[N+](=O)[O-],0.6412968471015517
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.8237153721451105
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9276458155323871
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.02698558688101411
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.938622249036977
+CCCCCCC(=O)O,0.02121776036920128
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.07662196116810088
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.5286173332383362
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9403482022665806
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.015397168582382197
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.13629872671531307
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.48150549858616604
+Cc1c2ccccc2cc2c1cccc2,0.8368353402759044
+COc1ccccc1N.Cl,0.8802197259857856
+[O-][N+](=O)c1cccc(c1C)C,0.5418270932488016
+CCC(c1ccc(cc1)O)(C)C,0.023332789309595595
+CN(/N=N/c1ccc(cc1)Br)C,0.6687745252082193
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.9595985964201301
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.9566747772911202
+Clc1ccc2c(c1)c(N)sn2,0.7139036381467312
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.5949738040518252
+N1CC1,0.20104964273500933
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.05516961672485544
+CC(CN(CC(C)C)N)C,0.13251066531527758
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.2516767491498975
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.9361326711108592
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.0034563187274744365
+ClCC[N+](CCCl)(C)[O-],0.6659563739902032
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.18915525049068718
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.059093091355267705
+Nc1[nH]cc2-c(n1)ncn2,0.15761198977685079
+Fc1ccc2c(c1)nccc2,0.5639767621921886
+N#Cc1cccc(c1)C#N,0.23350884311103434
+Fc1cc2cccnc2c(c1)F,0.8863357357444416
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.840419481137505
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.043962670100540356
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9969267356005069
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.957702897038852
+FC(=C)F,0.24512346900924764
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.019645890089642643
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.09048574841316236
+Oc1cccc(c1)[N+](=O)[O-],0.7684651239109022
+c1ccc2-c3ncsc3CCc2n1,0.697841677071873
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.9012779199462543
+O=NN1CCCCC1,0.9761431114047665
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.20899552006990826
+C=Cc1ccncc1,0.08419894686781831
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3778135810270025
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.12472182124534448
+Oc1ccc(cc1)c1ccc(cc1)O,0.4033162027746429
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.011395586756648486
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.06834257219370762
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.0015860491869709918
+CC(CON=O)C,0.7533653794002277
+CC[C@H](c1ccccc1O)C,0.039565982158827936
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.9913511652478972
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.3690778567665044
+ClC(=O)Cc1ccccc1,0.5649385214131015
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.2620087541726594
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.6049945982408127
+Nn1nnc2-c(c1O)nc1c2cccc1,0.46331444689333423
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.028352639498545475
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.9744954814798887
+OCCCCO,0.28093021592938855
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5726144656654619
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.7916517902551654
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.6302322135928956
+BrCC1=C(Cl)C(=O)OC1,0.9620073227529523
+CC[P@](=S)(Sc1ccccc1)OCC,0.16254086895115938
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.07708747386907319
+ClCCN(c1ccc(cc1)C)CCCl,0.8306036004835079
+ClCCP(=O)(O)O,0.45189133518414354
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.03939457636850994
+Cc1cc(C)c(c(c1N)C)N,0.7743598498214124
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.8776394368338023
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.991947638837506
+O=C1C=Cc2c3c1cccc3ccc2,0.8875793806167266
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4296806482802326
+CNC(=S)N(C)C,0.10764457348421641
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.9781957750999927
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.040268894691904304
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9939440100076153
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.17897837384965384
+O=CC=O,0.5912454647623792
+Cc1ccc(c(c1)O)C,0.1310671383327287
+COc1cc(N)ccc1NC(=O)C,0.7057076995700569
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7409049259898409
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.9126383517554352
+CC(=O)NNc1ccccc1,0.8379774848475751
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.6617382258178157
+Clc1cccc2c1oc1c2cccc1,0.4716784497245392
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.8790474198902563
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.5980922548129392
+C=CC(=O)OCCOCCOC(=O)C=C,0.10421726248585549
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.0913318434768997
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.11987255135620474
+CCCCOS(=O)(=O)C,0.9312759189880093
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8718093902645665
+NC(=O)N/N=C/C(=O)O,0.22418362211725307
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.03695427612337978
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.018352550643828878
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9704199113959792
+C=C[C@@](CCC=C(C)C)(O)C,0.13780300425877784
+OCCN(C(=O)N)N=O,0.9592752793012543
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.037413905032372574
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.8941836914232899
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.5815105934244843
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.5001663094269668
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.6358619004427944
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.033292666120500664
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.898273824760714
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.4289050621619456
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.22328600799883286
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.888033636369587
+Nc1ccc(c(c1)C)N,0.7915934695300575
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.3143564349605254
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.2211790179112239
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.01543870133934587
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.709871927972602
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.11369686381614906
+CN(N=Nc1ccc(cc1)Cl)C,0.7577981871491452
+CC(Cc1nccs1)C,0.42276134074317057
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.09778410362759746
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.00616191349781363
+OC(=O)c1cc2ccccc2cc1O,0.30623280319829826
+Oc1ncnc(c1)O,0.07804797540704897
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.6828788577272186
+Nc1cccc(c1)S(=O)(=O)O,0.07615346495259578
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.966305731422371
+OC/C=C(/CCC=C(C)C)\C,0.02030204069194147
+O=CC(=O)c1ccccc1,0.2570594055398007
+CNc1snc2c1cccc2,0.27410552827398815
+Cc1ccccc1c1nc2c(o1)cccc2,0.1728565534661315
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.08394177947270112
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9882193130925443
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.6240296746117769
+[O-][n+]1cccc2c1c(O)ccc2,0.460660597279443
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.007502086972915817
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8779629472660954
+C[Si](O)(C)C,0.23949836999872479
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.097532854923571
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.9284488989943924
+Nc1cccc2c1ccc1c2cccc1,0.9309565685828395
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.7979618541968355
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.7128602650858806
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8898595369422031
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5499429700598814
+Fc1ccccc1c1ccccc1,0.7522713371808939
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.8884294761796883
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.887924468542879
+CNC(=O)CSP(=S)(OC)OC,0.31559084418193967
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.935338995229291
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.08235425133587275
+Nc1ccc(cc1C)S(=O)(=O)O,0.591650478653073
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.6594301434242298
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.17528648258064453
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.9727058035218651
+CC(=O)Cl,0.7217824117235844
+CCCCCl,0.29941577620951615
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.1345664502273821
+ClSC(Cl)(Cl)Cl,0.4010153010904017
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9968297495169713
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.013685284689217795
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.738187513121124
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.06055188570433086
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0.002129608619150886
+Clc1c(Cl)cccc1Cl,0.06546507396109366
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.8040785153525782
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.761543593991126
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.12367927932165203
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6116227468237451
+CCC(=O)Nc1snc2c1cc(C)cc2,0.21839605086497965
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.7201795250331265
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.021726485199422354
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.019578836153933125
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.05636822009659405
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.07926782923505052
+CC(F)(F)F,0.13225980882949578
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.22333146604366053
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.748791685575147
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8386610471277836
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.7796044565753986
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.5842757822251048
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.9579440894217424
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.06687194874961559
+c1ncn[nH]1,0.13903352581030104
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.09159550584253208
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.933365130345457
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9906154328525427
+Fc1ccccn1,0.0968647481642359
+COP(=O)(OC)O,0.41824944974110134
+CCCCCCN(C(=O)N)N=O,0.8266735347347822
+Clc1cc(Cl)c(cc1O)Cl,0.029089490706559647
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.947784106986581
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.12015173977225155
+C[C@H](c1ccccc1)O,0.08741071525267179
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.008390338373482003
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.17209021670290217
+NCP(=O)(O)O,0.19535216836796776
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.012857434474064986
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9943048151813157
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.00442023943240609
+C/C=C(\C=O)/Cl,0.8756388526873213
+[O-][N+](=O)c1ccccc1c1ccccc1,0.9676590220174012
+OC1OC(=O)C=C1CCl,0.9099024454790322
+CCCCOC(=O)C(=C)C,0.016992818679085794
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.9542048991252001
+C1CCc2c(C1)cccc2,0.24370647429613335
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.3514505169508909
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9393986982250916
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.9008448821747008
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.01776226899779793
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.011584287892859629
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.026806817061971258
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.009228695552904195
+Cc1cccc(c1)Br,0.05175975910584125
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9892925171628623
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.91349341554736
+c1ccccc1,0.2586371370213767
+C=CC=C,0.17810176631279642
+COc1cc(=O)[nH]c(=O)[nH]1,0.20810833478298554
+CC1=CC1,0.14456713540598523
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9776207195079145
+COc1cc(N)cc(c1N)OC,0.8893999250003628
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8266538562032796
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9913987675817132
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.2431633350014892
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.14036186929737868
+NNCCO,0.32248478538948366
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.004289741417847241
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.06433223085563647
+Fc1cccc2c1nccc2,0.7962908224221162
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.7318536704828035
+N#CCCCCC#N,0.2176719505280151
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.7297640778300669
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.032440189772259084
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.09179838518849441
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.051803552681456304
+COS(=O)(=O)OC,0.6065504351300198
+CCCCCCC=C,0.059365560252139626
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9843883535089689
+CO/N=C(\c1ccccc1CO)/C(=O)NC,0.03359926770938035
+O=C1CCCCC1=O,0.2545790536848148
+Oc1ccc(cc1)O,0.20732150916180614
+C1CC2=CC3C(C=C(C1)O2)O3,0.1874972606888374
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.010561673382995691
+OCC1CCCO1,0.4202737267963811
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.4974455444027628
+O=C(c1ccccc1O)OCc1ccccc1,0.20952677117842491
+O=Nc1cccc(c1)C,0.8916694835536879
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.10543067936262056
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.9778506633686389
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.7700941398163083
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7530748822453398
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.02213890605550677
+CN(C[C@@H](Cl)C)C,0.5222124711401563
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.8880504832675897
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.3457543294141301
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.8210405007534999
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.8207654881931569
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.4341011453602977
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.5627660351461192
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9362221738493564
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9986812929507745
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.9733350191583852
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9632495787748208
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.0014265638248798353
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.9106698467212013
+CCO[Si](OCC)(OCC)C,0.22845522005287192
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9049019603250819
+CC(Br)C,0.601409708232933
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.5590436109836678
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.9990249177995926
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.8385940407634591
+COC(=O)c1sccc1S(=O)(=O)N,0.03816598312639265
+CC(COS(=O)(=O)c1ccccc1)C,0.2272374066492112
+Oc1ccc2c(c1)nc([nH]2)N,0.2052006583095751
+[O-][N+](=O)c1cccc2c1snc2,0.8780914943472165
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.032304553785891844
+CCc1ccco1,0.09166450057801365
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.8056215327575232
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.06538016993604066
+COC(=O)c1ccccc1NC,0.1494181462748032
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.790633228261137
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.715118663044133
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.3149530549150614
+COc1ccc(cc1)CC1OC1,0.9735381186718972
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.893612757671458
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.9371182772225596
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.9304332959507061
+COCCOCCO,0.20912885205577977
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.21464470776239933
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4296806482802326
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.9746371635560659
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.21216449109155344
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.31332514566723146
+Nc1ccc2c(n1)no[n+]2[O-],0.7789642631633287
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9911408251581915
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.7597245578530454
+OCc1ccc(cc1)C#N,0.1132148410870211
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.05219789461968713
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.01568108716699249
+O=NN(C(=O)c1c(NC)ncn1C)C,0.9632831177206485
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.14641197914243503
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.47116064076098796
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.2884581211937962
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.2238757405731022
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9956264416704812
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.00937182227207382
+NC(C(=O)O)C(C)C,0.16149127427852958
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.06640062150455227
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.005329302230651498
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.9812935586901302
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.5258975637851598
+Cc1cccc(c1)C(=O)O,0.08036553314503138
+CCOc1nc(N)nc(n1)N,0.033169441483073804
+CCCCCCCCCCCCOS(=O)(=O)O,0.13711024239429664
+OC[C@H]1CO1,0.9668364280465012
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.44692104046552383
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.9298374911575564
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9934091827266279
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.7124246252121657
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.11601337618424322
+OC(=O)c1ccccc1O.[Na+],0.06269317849015583
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.023262478819418043
+ClCc1ccc(cc1)CCl,0.4581954300716856
+CCCCOCCOCCO,0.0685906166299035
+Cc1ccc(cc1)NN=NCc1ccccc1,0.6342797272229069
+CC1=CC[C@H](CC1)C(=C)C,0.014805064463330443
+CCN(CC)CC,0.3527882285068608
+OC/C=C(\CCC=C(C)C)/C,0.02030204069194147
+CCCCCC,0.06655949235895159
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9825564026963625
+CN(C(=O)Cl)C,0.22629765295864188
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.692527590533445
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.16012704388639276
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.5398706031816538
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9549733342983734
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.17644534528856062
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.07547989020802455
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.9861731122957559
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.4516603510451988
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.9504370662517323
+CCCCOC(=O)c1ccc(cc1)O,0.0066353455904942715
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.018425250924265786
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.09760615008418384
+CNc1ccccc1,0.5366287150130592
+C1CCC2C(C1)c1ccccc1C1C2O1,0.049602492044281125
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9703658419836456
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.012903096804587061
+OC1=CC(=O)C1=O.[Na+],0.08028674934744075
+Sc1nc2c([nH]1)cccc2,0.320960903323632
+Nc1ccnc2c1cccc2,0.8989406340717814
+CCCCCOC(=O)C(=C)C,0.008019390824911361
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.028108453394787458
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.2884581211937962
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.6659393754241075
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.051603980291228244
+CCO[P@@](=O)(N(C)C)C#N,0.12542294627340195
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.012074571496423013
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.99697945830654
+[N-]=[N+]=NC[C@@H](CO)O,0.9133409121022601
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.3939790465474024
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.7785754779312682
+OC(=O)CI,0.10397236106784688
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.5112896116246327
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.24563395617117836
+Cc1ccc(cc1)[N+](=O)[O-],0.7832178896442082
+COc1nsc2c1cccc2[N+](=O)[O-],0.9280145751034412
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9742872987118942
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.009898019289262447
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.027507550012422808
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.7634993405621293
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9856344553203862
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.10455513389950591
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.7920398640774813
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.016456031972633466
+[O-]Cl.[Na+],0.24631322051147192
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.8586579566552546
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.9053260372053119
+O[C@@H]([C@H]1CO1)CO,0.8677717960252153
+C/C=C\C=O,0.7642437586181126
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.16408004881316832
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.5029876616497095
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.02273269468621469
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9814894808679588
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.05980497044018875
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.5980922548129392
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.01500535321330203
+Nc1ncnc2c1nc[nH]2,0.5419306998989519
+Clc1ccc(c(c1)C)N,0.7173969864371084
+OCC(=O)O,0.1375223161296067
+O=NN(Cc1ccc(cc1)F)C,0.8651893713511254
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9855400403745179
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.04432508979751093
+CC(=O)Nc1ccc(c(c1)N)C,0.8919687460690882
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.08995485493741028
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6763633225212549
+OC(=O)C(CCS(=O)(=N)C)N,0.10141180635881479
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.7331263105250077
+CC(=O)C(=C)C,0.622669024296462
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9111050853208096
+CSCNc1ccccc1OC,0.6799897080519226
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9950346329142137
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.11072651069687141
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9010086249987714
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.7645386234768304
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.8977090734454645
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.12078868989785722
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8380224538660531
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.15645823738455725
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.011127245539783956
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.27043756579693284
+Oc1ccc(c(c1)Cl)Cl,0.05145300365810741
+CNc1ccccc1N,0.45496743944874574
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.47116064076098796
+Clc1ccc(c(c1)Cl)C(=O)O,0.09453031346602771
+COC(=O)c1ccc(cc1)C,0.12162936340990987
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.610138154658142
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.6589031617609895
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.018817728908717808
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9825564026963625
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.12112168393955715
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.8808828025178681
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9930423670152227
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.06469574671686865
+OCNC(=O)c1ccc(cc1)Cl,0.11078886957568566
+CC[C@H]([N+](=O)[O-])CO,0.3372027920481983
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.5124096937076311
+OCC=O,0.4630746912525092
+CCCCNCCCC,0.17675933732699028
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.8358830166516629
+OC1CCCCC1,0.06558024237590733
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.08973851204338576
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.25205657221629585
+C/C(=N/O)/C(=O)C,0.28605318163574317
+CCCCON=O,0.8496361761107134
+OC1CC=Cc2c1nccc2,0.16587155364581901
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.399073970061436
+Cc1ccccc1c1ccccc1,0.5655007393741932
+COCC(=O)Nc1c(C)cccc1C,0.20688332726140968
+CCC/N=N/O.[K+],0.7670703068619263
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.11593189904767588
+CC(=O)C(Cl)(Cl)Cl,0.19633479728863784
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.39462320212007834
+Fc1cc2ccccc2c2c1cccn2,0.8608909557303294
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9493486245274102
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.19033225431849152
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9730740851583126
+OC[C@@H](CBr)Br,0.8613102468316727
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.9193681599606075
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.04766447667378035
+O1C[C@@H]1c1ccccc1,0.6427037524924829
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.8958844581292454
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9037588337689507
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.9436593638423056
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.9453799703435001
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7072444471785405
+NCC(=O)O.Cl,0.08581939399869244
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.8830804840589276
+OCCCN(N=O)CC,0.9872479082727632
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.34941679822692573
+CCCC[C@H](C=O)CC,0.0782360863513396
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.10607115860288503
+Nc1cccc2c1cc1ccccc1n2,0.9820532760731024
+CNCCCN1c2ccccc2CCc2c1cccc2,0.1266597328372389
+OCC(C(C(C(C(=O)O)O)O)O)O,0.09771232451992427
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7763412611899878
+Nc1cccc2c1c(N)ccc2,0.7842985700605275
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9181679853474731
+CCC#N,0.24957203891856336
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.027080384860492464
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9189157007815953
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.6444500029638149
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9909057582429758
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.07930331152263077
+Nc1ccc(cc1)c1ccccc1C,0.8788512411975254
+COc1nsc2c1ccc(c2)OCC1CO1,0.9958885159193034
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.843170773909886
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.056837558612925734
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.9875717543267782
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.8129716832223807
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.07814877498050427
+CCCCN(CCCO)N=O,0.955030624057418
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.9728095310409234
+CC[C@H](N)C,0.07390674374512746
+Nc1cccc(c1)O,0.629359560261239
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9938924717900137
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.626170155794192
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.804918081644574
+NCCNCCNCCNCCN,0.47512423134223214
+NC=O,0.3314003587602449
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.055734373222471253
+CCCCCCCCCCOC(=O)C(=C)C,0.008019390824911361
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.8867312487318041
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.39619151285391235
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.7073121896898782
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.2193507466472291
+O=C1C=CC(=O)C=C1c1ccccc1,0.19422480414314358
+C/C=C/C=C/C(=O)O.[K+],0.11800521609636734
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.12702579921707477
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.5763551135690214
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.7653312777651978
+CCSCCOP(=S)(OCC)OCC,0.027169362882556676
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9868156415820241
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.07942070390434025
+CCCOS(=O)(=O)C,0.928090940522353
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9883151636798834
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.11247809159652707
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.9481248686463793
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.87796633135611
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.053853131277892353
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.45644540268472966
+O(Cc1ccccc1)Cc1ccccc1,0.3854733917146677
+CCN(c1ccccc1)Cc1ccccc1,0.4647667597614235
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.868113753700401
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.06087756008447976
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.9342189878152656
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.2537194372396846
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9442773456579437
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.4096722420329654
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.6292219536254637
+Cc1cscc1,0.3696328489727613
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.394525812217472
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.004976712734056574
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.06612412810733576
+COCCOC(=O)C,0.6046909675500993
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.17093698941182425
+CN(C#N)C,0.5240362265226122
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.14813103312735737
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.7281823007162109
+N#CCc1ccc(cc1)Cl,0.13032721987414125
+CC12OOC1Oc1c2cccc1,0.5967223641561329
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.0073959621504322785
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.6183806837268072
+O=NN1CCN(CC1)C,0.8900950892854056
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.5320584883235451
+C[C@@H](c1ccccc1)N(C)C,0.11093581081830356
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.09587855772806517
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.01812253950924023
+[O-]P(=O)([O-])[O-].[Fe+3],0.40543486446443594
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8592793099370435
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.6505654836047746
+O=C1CSC(=S)N1,0.5030241810505232
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.084714591867464
+Clc1ccc(c(c1)N)C,0.7170063824000534
+CC(COC(=O)Cc1ccccc1)C,0.07047443085246101
+O=C(c1ccccc1)C(=O)C,0.16763015240100065
+Fc1c[nH]c(=O)[nH]c1=O,0.07041630701774448
+CCCCC1CO1,0.34265035607907857
+BrCc1ccc(cc1)CBr,0.3507714201030574
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.5256551436405101
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.9008990051741329
+N#N=NCc1ccccc1,0.9293094864230245
+O=NN1CSCC1C(=O)O,0.5944420893014634
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9086420275959113
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.5027108847482621
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.0032350274802394464
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9885377177806853
+CC(C1=CC(=O)C(=CC1=O)C)C,0.12081943093063056
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.09901502141447706
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.07416707826681919
+O=NN(Cc1ccc(cc1)Cl)C,0.7149238665174967
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.8477464416823619
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.027191255496187474
+O=C1c2ccccc2CCc2c1cccc2,0.5521964710790866
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.05652812450510571
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.08912581039629777
+CC(=O)Nc1ccccc1C,0.09563164801481826
+O=C1C=C(O)c2c(C1=O)cccc2,0.8239939318002732
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.9797571729981648
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.18544042806094763
+Nc1ccc(c(c1Cl)Cl)Cl,0.27517966038557395
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.9902913770835626
+CC(=O)c1ccncc1,0.11717667093657085
+Cc1nc2c(s1)cccc2,0.26637560059997056
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.13606521084111356
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.8263053060142765
+BrC(C1=C(Cl)C(=O)OC1)Br,0.9546719128357068
+Cc1cc2ncccc2c2c1n(C)cn2,0.8447145573032525
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.9843485321359248
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.9419833059142388
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9465492694427026
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.032311322365683064
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.9498225759158541
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.9304744562984482
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.05621194282294233
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8466032252757394
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.11568029667216628
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.7739697452367431
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9827647351270038
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.031928249877603225
+OC(=O)[C@H](O)C,0.12048848924186858
+OC(=O)C(Cl)(Cl)C,0.12064503387692865
+CCCC,0.13230096397930866
+ONc1ccc2c(c1)cccc2,0.8551478783471208
+Fc1cnc2c(c1)cccc2,0.3593247763289703
+Oc1ccc2c(c1)cccn2,0.5563084873537498
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9798209238542728
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.0056173843431621484
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.014097773711666461
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8967104450748722
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.025614132601839458
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.12292995183280725
+OCC(Cl)Cl,0.15389277159040582
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.05219329479542861
+O=NN(Cc1ccc(cc1)Br)C,0.5559199782803862
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.007712041752911956
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.026149538776049915
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.9227933037396812
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.36803052100867023
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.7313993010429857
+Clc1nncc2c1ccnc2,0.07426291555071736
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.9125946165411283
+C=C[Si](Cl)(Cl)C,0.28763552257147645
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.5992075141395529
+CC(COC(=O)C(=C)C#N)C,0.2002677510530139
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5326468884745033
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.8963766823587068
+Cc1cc(N)cc(c1)N,0.6660703456401211
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.18667525497536447
+ClC=C(Cl)Cl,0.7702237793657597
+O1CC1Oc1ccccc1,0.1238037012899201
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.8963766823587068
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.19878494727827078
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.9544107673517539
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.14392457550943766
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9973504168130335
+CCOC(=O)C=C,0.04874957699888925
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9741627727730109
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.2878895153642635
+OCC(COP(=O)(O)O)O,0.056224964433414036
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.07026050432527323
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.4513705004750636
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7878808642294206
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.955691476691231
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.8988762534013865
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8377607993245761
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.001430086419502806
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.9840757756240579
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9725274471819776
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.3033397606422559
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.17241205289377226
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.9479699590443043
+Clc1ccc(cn1)Cl,0.02952244320172385
+CC(S(=O)(=O)Cl)C,0.3126119139262354
+OCCCCN(N=O)C,0.9874875295576877
+c1ccc2c(c1)cccc2,0.47412721803335406
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.04059383258514642
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.9700863305795377
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.9545393660340146
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.017068122403099777
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.02983495453854369
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.5359359254674524
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.09486834868047805
+C=C[C@H]1CO1,0.7618783637245444
+OC(=O)/C=C/c1c[nH]cn1,0.16988061092050138
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.01778772986345188
+Oc1ccc2c(c1)oc(=O)cc2C,0.10773970707410754
+S1CC1,0.42145450394102557
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9433821464733845
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.7841904729287157
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.020555317212678868
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.003754447052889347
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.9572901505993753
+c1ccc2c(c1)[nH]c1c2ccnc1,0.4962288913761083
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.025689213228102165
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.07884572053794157
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.860606601380342
+OC[C@H]([C@H](CO)O)O,0.3828943942672939
+C[C@@H]1O[C@@H]1C,0.47980795187711933
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.002329530387769314
+OC(=O)Cc1c[nH]c2c1cccc2,0.11479708187064169
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.9727792392848831
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.8856176188692306
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.997793623599282
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.08126975147715422
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.03755006057045078
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.2610087227960472
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.1272395844249839
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.07112552345994279
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.02029857021692812
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.0299617647515898
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.9098839876157192
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.008268753036720644
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.6660312292186589
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.8851794300200101
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.016925992572506467
+O=C1C=CC(=O)N1,0.3430497567207054
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.5849275527494279
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.023502352414606142
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.10777539659956568
+O=Cc1ccco1,0.13827329121620432
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.07895557504284702
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.8536883596774524
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.8941846989805409
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8995004520608358
+COc1ccc(c(c1)OC)N.Cl,0.9433441548993269
+CC/C=C/C=O,0.829065741981757
+C=CC(=O)NC(CC(=O)C)(C)C,0.03170561651678824
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.9253323380759076
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.5536594818840328
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.09904277401402396
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9715462181627367
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.35875032415611724
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.01112348474920594
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.09370836666884748
+CCC([N+](=O)[O-])CC,0.5209085279840107
+c1ccc(nc1)c1ccccn1,0.41170106665575673
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8071538921631299
+BrC=C,0.3679941419006825
+O=C=Nc1cccc(c1C)N=C=O,0.3104425018165351
+CCCCCCC1OC1,0.34265035607907857
+Oc1ccc2c(c1N)cccc2,0.5426651772686425
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.9294109406719363
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.2884581211937962
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.3673736869598818
+Cc1ccc(cc1)O,0.17184094024148522
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.9188501337738909
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9975890134555773
+OC(=O)Cc1ccc(c(c1)O)O,0.1217652351358351
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9907573129501405
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.31529616887459994
+ClCC1=C(Br)C(=O)OC1,0.9556273691919638
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.45831948090258984
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.24570066414483405
+Oc1cc(O)c2c(n1)cccc2,0.18143819082954574
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.9696767886334401
+ClCCNc1ccc(cc1)CCCC(=O)O,0.7227877786154725
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.9295529919112984
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.024307676275746246
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8869201595500142
+CCCCCCCCC(=O)OCC=C,0.022495162146373673
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.004756635677070902
+CC(C1CCC2(CC1)OC2)(C)C,0.10706647005809364
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4927112761204477
+Clc1cccc(c1)C(=O)Cl,0.5821095378335037
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9335726773596023
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.8206281906053343
+Nc1ccc(c2c1cccc2)N,0.7848381921629314
+Clc1ccccn1,0.12296546711289268
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9149970228665465
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.9251156361418534
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.36139564900296395
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.08384815727938484
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.793267233493425
+NC(C(S)(C)C)C(=O)O,0.1918833627926188
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.8652053101393586
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.1322344997930411
+O=c1[nH]cnc2c1cccc2,0.2099802995193088
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.9683903813116819
+COC[C@H]1CO1,0.9499627196973538
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.9616068206833261
+Fc1cnc2c(c1)c1ccccc1cc2,0.6718095596181594
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.715557904836324
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.08179795611018652
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.6954889413229827
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.7558454762186599
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.023982840514659612
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.001987547066492277
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.8308632949894531
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9892343857627096
+O=Cc1ccccc1,0.11066392962890549
+OC(=O)CCCCC(=O)O,0.12714402678843004
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.022142188484229854
+c1ccc2c(n1)c1ncccc1cc2,0.7652756255023763
+C1N2CN3CN1CN(C2)C3,0.6288395402527808
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.755583196178858
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.34031452457524614
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.06562909357945071
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.32663691395769207
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6292799422867641
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.0017649956782462386
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.7933032589021811
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.0629441344027754
+O=C1NCC[n+]2c1cccc2,0.39577219698911237
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.8726362686986258
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.027507550012422808
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.09131322986143761
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.580663897058467
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,0.08153922377765968
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4336023783877478
+S=C1NCCN1,0.17349910506071714
+c1ccc(cc1)[Se][Se]c1ccccc1,0.32729541566136156
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.15408544096755283
+O=CC=CNCCCCC(C(=O)O)N,0.4657393748374146
+CCCC(=O)O,0.0634333553897929
+COc1ccc(ccc1=O)[N+](=O)[O-],0.8776290302448719
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.9475607007643273
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.8230744661435947
+FC(n1c(C)n[nH]c1=O)F,0.09074257972991819
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.8430593378259099
+c1ccc2c(c1)c(ccc2)CC1CO1,0.980777343254711
+Cc1ccc(c(c1)C)N,0.8273542503293037
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.1256293847264258
+CCCCCCOC(=O)c1ccccc1,0.004149456747264564
+OC(=O)C=C,0.1656720049298672
+Cn1ccnc1S,0.5266814891003433
+C1CCC=CC1,0.4013462156259275
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.018370340672320646
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.15849491648910868
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.8027128084378103
+COc1ccc(cc1)[N+](=O)[O-],0.877059241652797
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.010709385482426654
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.004394191614463988
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9925675186210122
+OCC12OOC2(CO)Oc2c1cccc2,0.6588572669357139
+Clc1cc(N)c(c(c1)Cl)O,0.4295320207266414
+Cn1c(N)nc2c1cc1ccccc1c2,0.8821560733406281
+CCOc1ccc(cc1)NC(=O)N,0.1948131437437551
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.16247250615201436
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.2626601317928773
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.09258438450192553
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.07127973158235451
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.005377437671537312
+CCCC[C@H](COC[C@H]1CO1)CC,0.31089161666410675
+BrCCC(CCBr)(CO)CO,0.5827783759644126
+COC12OOC2(C)Oc2c1cccc2,0.48710163296531317
+COc1nncc2c1cncc2,0.07142464397804853
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.6379401121807938
+BrCC(=O)c1ccccc1,0.3972492677138534
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.030551100343846234
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.022522035025299245
+S=C=NCCc1ccccc1,0.1873443559762367
+O=C1NS(=O)(=O)c2c1cccc2,0.027926544426821874
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9502905229180598
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5793766493334795
+O=C(c1ccccc1)/C=C/c1ccccc1,0.09265742246877037
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.7719278116826136
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.08894150532544588
+CC(=C)OC(=O)C,0.15719743960047827
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.1168946405776086
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.24231987289495935
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.01933383448552145
+NC(=O)NCC=C,0.2087076212336239
+CCc1cccc(c1NC(=O)C)CC,0.4502427269549513
+COS(=O)(=O)F,0.38129997553838363
+CN1CN(C)CSC1=S,0.7330746390331909
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9838914020205954
+C/C=N\O,0.33496696415968114
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6274871278952963
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.8896585764481114
+CCCCCCCC(=O)O,0.016345211532330286
+ClCCOC(=O)C=C,0.36354281670501826
+NC(=S)NCC=C,0.39000084729651663
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.062192387599438424
+On1nnc2c1cccc2.O,0.12014599300757905
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.05898979871256302
+C1CCC(CC1)N=C=NC1CCCCC1,0.09659706128380081
+c1ccc(cc1)Cn1cncc1,0.06053419712527536
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.38356747537876107
+O=CN(C(=O)N(C)C)C,0.29528245871282505
+CCn1c(N)nc2c1ccc1c2cccn1,0.9950331167280339
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.7682862478913713
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.06622042096013005
+CCCCOCC(=O)O,0.017798588857321797
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.7236490619232395
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.0007708888648211069
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.031053049162154504
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.649453442184436
+Ic1cc(Cl)c2c(c1O)nccc2,0.28583263661820324
+COc1nc(NC(=O)N)nc(c1)OC,0.08672161347632987
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.979273528911337
+Oc1[nH]nc2c1cccc2,0.10143919236286629
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0.10566461468910619
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8829108036645509
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9897606078496256
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.5957750328800285
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.05703668535294113
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.5137830540429876
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.06179377269150393
+FC(C(F)(F)F)Cl,0.07086533032072745
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.2601285206693024
+CC(c1ccccc1)Br,0.15695445869905755
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.3577772778616965
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.601786872067965
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9939041719049958
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.07913891410590526
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9483613819935063
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9990728481113814
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7693215377733423
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.9299333851103121
+C/C=C\C=C,0.4356740317542649
+OCc1c(N)cccc1[N+](=O)[O-],0.6941375420090091
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.33821404702085855
+CC(=O)N(C)C,0.46606000402441145
+NCCC(N)C,0.09038159322735402
+CCCSP(=O)(SCCC)OCC,0.14897374854146025
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.9927298041423956
+ClC(C(C(F)(F)F)(F)F)Cl,0.06550365148624472
+Oc1ccccc1c1ccccc1,0.4862418791594334
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.2923266045568708
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9049229396257419
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.6161167594617055
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.033279050189234986
+C/C=C/c1cc(OC)c(cc1OC)OC,0.4083154546899923
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9296217140904004
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.1505634102216045
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.1886289461957775
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.9955844881840515
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.033130784716631424
+COc1c2cc3OCOc3cc2nc2c1cco2,0.6942396841006958
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.9119847683501485
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.038072162276153225
+Clc1cc(Cl)nc(n1)Cl,0.12209741285472443
+BrCC(C)(C)C,0.6077250460113681
+C1NCCS1,0.283559018754208
+O=C1CCc2c(O1)cccc2,0.273538348519134
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.6785265700529238
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.0001855376812067828
+CC(=O)Oc1cccc2c1nccc2,0.43717463396594114
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.11573771285821946
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.6843078342998593
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0.11326245597066453
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7261107845495619
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.9702842602197664
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.46160029435223
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.08894263791012823
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.010056600962939236
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.4217240111233331
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5986324180511973
+COc1cc(N)c(cc1N)C,0.9441907016282768
+N#N=Nc1nc2c(n1C)cccc2,0.9548984180465631
+Clc1ccc2c(n1)cccc2,0.34062428374663595
+CNC(=O)C1=NN=C([CH]1)Br,0.34175920627452816
+ClC[C@@H](CBr)Br,0.9435087186549712
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.05476251704702225
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.984798505748244
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.06589583129296951
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.7046583417318133
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9119094698129083
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.8709021623896146
+O[C@@H](c1ccccc1)C#N,0.08178787194491448
+C/C=C/c1ccc(cc1)OC,0.31977441904730797
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.8250653465150224
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.2181100502510429
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.984761330118918
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.02277405932567782
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.04906946911352317
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.013495748549283683
+Nc1sc2c(n1)C1CCCNC1CC2,0.706511002743127
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.5997933818964007
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.2790531602232712
+CC(C(=O)O)Cl,0.14374925653030945
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9984817166510341
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.056654681342915764
+[N-]=[N+]=CC(=O)NCC(=O)N,0.8039560011470933
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.8015686948506203
+OC(=O)COc1ccc2c(c1)cccc2,0.247852242148373
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.47225824985164055
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.00462166416378886
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.11580405359020329
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.5114232634701243
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.8992593685984874
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.8435061661060982
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.2654273693173145
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.91295940385883
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.98828749195889
+Clc1ccc2c(c1)c1ccccc1o2,0.6306340084817593
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9607677839917342
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9869035685107453
+CCCCOC(=O)C,0.1116626588796304
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.0131685876356438
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.8194138268989701
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7732152359246441
+ClCc1ccc(cc1)Br,0.13422945571606162
+Cc1cccc2c1nn[nH]2,0.4976570930480493
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.4802781509275325
+ON=C,0.43103833130281777
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.878346383460467
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9906679811262
+Nc1cnc2c(c1)c1ccccc1cc2,0.9713132964906198
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.8842527374238369
+CCCCCCOC(=O)C(=C)C,0.008740510243055652
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.8440499529353543
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9911676494859
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.04737874140701906
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9688705625589648
+BrCCCBr,0.8478951924513307
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.004256387446016453
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.15372201938768015
+OC(=O)CCCOc1ccc(cc1C)Cl,0.04222650958682471
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.6041780259231575
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.0018783269522624128
+Nc1nc(N)c2c(n1)[nH]cn2,0.27752086169309914
+ONC(=O)c1ccccc1O,0.8059030346534392
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0063930052549586655
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.6662387670520401
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.5990980586549727
+CC(COC(=O)C(=C)C)O,0.1644829313103064
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.0021228473474665427
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9439456677832431
+CC12CCC(C2(C)C)CC1(C)O,0.10325393594482761
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.1419881512346156
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9371532872873389
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.04365511395289885
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.2981654776622065
+O=C/C(=C/c1ccccc1)/C,0.36289584907729994
+CCCCCC(=O)N,0.03773363522026103
+ONc1ccc(cc1)C(=O)C,0.7356333873039181
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9801101738206199
+[S-]C(=S)NC.[Na+],0.2251257145703313
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.19289069818426424
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9115582816007217
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.9626198474579398
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.9685237556744322
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9588874684899668
+N#C[Se]Cc1ccccc1,0.2929404063402621
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.8347813977814877
+CN(C=O)N,0.33995028203206507
+C/C(=N\O)/CC,0.7796721701696078
+OCCN1CN(CCO)CN(C1)CCO,0.43747621174955026
+CCCCN(CCC(=O)OC)N=O,0.9621075426261906
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.6024583322946232
+CC1=CC[C@H](CC1)C(O)(C)C,0.08012142927942958
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4085054831487236
+Cc1ccc(c(c1)N)C,0.48819232183799355
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.211732166524935
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.9097791305595961
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9790484088423648
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9888730065502629
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.8753350322107205
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.3279990506917467
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.48167186329542866
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.9889459948729479
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.24847494081359672
+CCOc1ccc(cc1)N(C(=O)C)O,0.6094516670032906
+CCOC(=O)OC(=O)OCC,0.05539908812689144
+Cc1cnc2c(n1)cccc2,0.5278172664920513
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.09905833137332841
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.12924848133877098
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,0.879539119502616
+COc1cc(C=C)ccc1O,0.19405117002638653
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.10003225752840143
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.24512103842539112
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.6882178855066238
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.11875861200853355
+CC1c2ccccc2-c2c1cccc2,0.8771890908093607
+O=NN(CC(=O)C)C,0.927490112167642
+ClCC(=O)NCc1ccccc1,0.7435894009223268
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.9569821038132567
+Nc1c(C)cccc1O,0.3229479355902174
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.6278567439226351
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9729084366182017
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.6856865465810456
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.8953286880114324
+ClCCBr,0.9227274071722288
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.31615611730998294
+Clc1ccc(c(c1)N)N,0.645842052037965
+Fc1cnc2c(c1)c(N)ccc2,0.555128178138786
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.43574569703983534
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.7417490658549342
+O=C/C=C/c1ccc(cc1)N(C)C,0.8324729899554312
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9866705913779554
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.21794395175253556
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.9268407027439717
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.6533667481839891
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5878051273858865
+[O-][N+](=O)[CH-]CCCC,0.12085309509672393
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.959179315226546
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9979922332568464
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8815869163364864
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.11052160169760751
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0.33525787209717123
+O=C1C=C(C)C(=O)c2c1cccc2,0.45524895271109467
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.18698626468211993
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8301151565904062
+Clc1ccc2c(c1)nc(n2C)N,0.8032775618124467
+CC(CCOS(=O)(=O)C)C,0.9266850251968317
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9537093527829171
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.8314601128079099
+O1COCOC1,0.21556670544934994
+[O-][N+](=O)c1ccc2c(c1)csn2,0.945939058676159
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.7589565259062105
+ClCc1ccncc1,0.2753980010397113
+OC(=O)CCN=N#N,0.8416413029082669
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.22384622309839178
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.6301997289125028
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.7938756950874484
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.03180667911354497
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8534492406905277
+C=CCCCC[C@@H]1OC1,0.45606412654433826
+CCc1ccccc1N,0.5433285994991159
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5826963967434553
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.08486619265036363
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.013086447035981915
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.20178036716026357
+O=NN(CC(=O)C)CC(=O)C,0.8796223016344621
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.10207951734986323
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.014882025085380335
+CNC(=O)ON(C(=O)NC)C(=O)C,0.3043597022341828
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.7520926842664949
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.8810199974791596
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.8690239364439746
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.6864633750562257
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.45701789671264803
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.48232086809895375
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.8035958104581082
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.027783293551425264
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.8382427937671648
+OC(=O)CS.[Na+],0.09357846619270249
+OCC(C(=O)O)N,0.4960014931993438
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.6691178505141674
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.10621956446792749
+ClC=C(C)C,0.5853441281856132
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.019958174461166298
+O=NN1CCSCC1,0.9702779168062036
+Fc1cccnc1,0.07377310020701337
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.00947916958319227
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9985859751803131
+c1ccc2c(c1)Oc1c(O2)cccc1,0.5248420692232638
+OC(C(=O)O)Cn1cncn1,0.005762669555371301
+NCC(=O)Nc1ccccc1,0.41983177516027975
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.8977707882162824
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9919681843244755
+[O-][N+](=O)C,0.5131703998629866
+C1CC23C(C1)(O3)C=CC=C2,0.24608925857103642
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.29890831524200534
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9878258196353671
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9736787362161565
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0.015587731412933195
+CCCCN(N=O)CCCC,0.9631039999315193
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.5154753909070555
+[O-][N+](=O)CCl,0.5131703998629866
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.9926632836378715
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.9455436366484602
+N#CSCSC#N,0.3124856929020983
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8291215897261653
+Clc1cc(Cl)cc(c1)Cl,0.09703716563361735
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8808768336932362
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.9651638024118926
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.26729726213628435
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.44741339005553626
+O=NOC(C)(C)C,0.7608714403985722
+C=CC(=C)CCC=C(C)C,0.07742712472870256
+NC(=O)[C@H]1CO1,0.6472569658382631
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9792930740038985
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.5400668023840327
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.09247917798961201
+OOC1(C)c2ccccc2-c2c1cccc2,0.9228664486678808
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.048059092871441084
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.052337894211857125
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.018875696604811427
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.30676939332156355
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.013815671789050616
+Nc1scc(n1)c1cccnc1,0.7365155212851234
+BrN1C(=O)CCC1=O,0.18214599015727634
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.008169291407972944
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.977549023242805
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.01323480874195521
+NC(=NC(=N)N)NCCc1ccccc1,0.1776899510899037
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9952120715492472
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.027637393035089393
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9801807152371905
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.5149361545913632
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9907520221623213
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9161632509825005
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.8013515542659013
+CCOc1cc(C=O)ccc1O,0.06270542012341836
+CC(=C)C(=O)OCC(C)(C)C,0.1464343464963805
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9309042190687347
+O=NN(CCN(C)C)C,0.9446910996226756
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.597342961870511
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.981808642507699
+C[C@@H](c1ccccc1)CCc1ccccc1,0.2304826140528889
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.8798861572869993
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9914728993642818
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7253597668576522
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.6202253843484222
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.06105696499576018
+CCCCC(CCCC)(CCC)S,0.08317891917185403
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.0001855376812067828
+Clc1cccc2c1c1ccccc1o2,0.6844428155687748
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.6694530851941755
+N1CCNCC1,0.3103889589773782
+O=C(c1ccccc1N)OCCc1ccccc1,0.21511295055587898
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.7157005195282958
+CCOc1ccc(cc1)N,0.591934517534781
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.988130133780676
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9690319534538789
+Oc1cccc2c1OC(C2O)(C)C,0.0479779181228703
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.316500307195443
+OCc1cc2c([nH]1)c1ncccc1cc2,0.6822419148918676
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.9476147724449994
+CON(C(=O)Nc1ccc(cc1)Br)C,0.3863288163765632
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9681215387812009
+CCCCOC(=O)c1cccc2c1nccc2,0.015126093272540024
+C(C1OC1)Cc1ccccc1,0.8767826141307709
+OC(=O)c1ccccc1.[Na+],0.05572815219273914
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.06356646779304162
+NC(=O)C1CO1,0.6472569658382631
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.017515647627926092
+BrCC=C,0.5152110057589542
+OCc1occ(c(=O)c1)O,0.44636708865152497
+Clc1ccc(cc1)C[C@@H]1OC1,0.8880375187266385
+CCOC(=O)C(=C)C,0.07321493846393164
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8113392754387473
+Oc1nsc2c1cccc2,0.5054815736722765
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.016286500471465175
+O=Nc1cc2OCOc2cc1O,0.34542505298178866
+CCOc1nc(NC(=O)N)nc(n1)NC,0.09980486695037562
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.8986278251524362
+OC(=O)CC(C(=O)O)N,0.17924767117674792
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.935818723113603
+CCNc1nc(NC(C)C)nc(n1)Cl,0.041933095898205056
+ClCCN(P(=O)(O)N)CCCl,0.9655439530812306
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.4859831519322677
+O=C(C(F)(F)F)C(F)(F)F,0.20188404938267376
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.9798002111080587
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.2575684938282224
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.6967106234753326
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9288724359290381
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,0.00575281423011404
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.9586566795492751
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.0005656220741619899
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.654247908695118
+CC(=O)Nc1ccc2c(n1)cccc2,0.4885349504235189
+CCSCSP(=S)(OCC)OCC,0.1284052325461151
+OC(=O)Cn1cncn1,0.011362484574760095
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.3640434693855588
+NC(=O)c1cccnc1,0.07947153422813125
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9872657520531273
+CCOP(=S)(SCSC(C)(C)C)OCC,0.21806296602773176
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9918450439877047
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.9036312350721332
+Cc1cc(C)c2c(c1N)nsn2,0.7917604734930909
+CCc1cccc2c1nccc2,0.46210436552710304
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.5399499476501952
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5096374422598113
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.9911776163221543
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8873805437147873
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7677910766643848
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.010055166631581593
+CCC(C(=O)NC(=O)N)(CC)Br,0.1130364945981977
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.16612810350873175
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.18303523772509728
+ClCc1cnc(nc1Cl)Cl,0.19119226508895976
+ClCc1ccc(cc1)OC(=O)C,0.4008803759311168
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.0016978898376895323
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.9636485589740408
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.033549658555585594
+CCOCC,0.17703770087568535
+CC(OC(Cl)(C)C)(Cl)C,0.3259962838928502
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.0020379728824874437
+O=C1C=CC(=O)C(=C1)Cl,0.38464353703952875
+CCCCN(C[C@@H](CC)O)N=O,0.943433893959441
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.13754632091835475
+CC(c1ccccc1)Cl,0.20095699868528935
+CNC(=O)N(C(=O)C)O,0.11830261286273426
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.42006071390557553
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9916523795595859
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9535032371225799
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.7774152841052573
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.8564148511223973
+CCCCCCCC(=O)Cl,0.4143899169601139
+O=NN1CCC[C@@H](C1)Cl,0.9912877417065011
+CC(C(=O)OC)CN=N#N,0.9466056661336686
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9935848738103175
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.4827311554524599
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.7984646569789102
+OC1C2OC2c2c(C1O)cccn2,0.15461527054632945
+Fc1cc2cccnc2c2c1cccn2,0.8582022258282278
+CC[N+](=NC)[O-],0.3705470327980772
+OC(=O)/C=C/c1ccccc1,0.0962550902234887
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.944671432019871
+CS(=O)(=O)O,0.22127800660232141
+C([C@@H]1OC1)C[C@@H]1OC1,0.7540586802364788
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9646382470634112
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0.11361879774373872
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.011727174527652413
+Oc1ncc(cc1N)c1ccncc1,0.5655217233135215
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.8745724833396978
+Fc1cnc2c(c1)ccc1c2cccc1,0.5143757199365407
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.9028925481760036
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.8288378288915159
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.47669210262430406
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9066358894785022
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.013125447672926553
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.4546862569073631
+N#Cc1c(Cl)cccc1Cl,0.07994788917231073
+CC(Nc1ccccc1)C,0.48933168338215677
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.7894960878042341
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.09058386751343768
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.04504979343367618
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9989015104257711
+FC(C(F)(F)F)C(F)(F)F,0.09917350960908772
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.3260304496304608
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.1536759866987363
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.00256104416382158
+[O-][N+](=O)c1ccccc1Br,0.5462902422377423
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.5529131912975804
+CCCCCCCCSCN1C=CN(C1)C,0.02312079810352856
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.0063930052549586655
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9836553797695023
+CNC(=O)O/N=C\C(SC)(C)C,0.18800285222048482
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.04795482394553551
+CCSC(=O)N1CCCCCC1,0.03162341876814619
+CC(=C)C=O,0.720222196842734
+Cc1cccc2c1cccn2,0.22980127095671576
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9513352551843214
+O1C2C1c1cscc1-c1c2csc1,0.8780634468519878
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.7172456141539372
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.75539721754197
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6528532435113631
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.6210520869890763
+OC(=O)Cc1ccc(cc1)Cl,0.060467297582187884
+NCCCCCCCCCCC(=O)O,0.05903336801364604
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.6686248178653497
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.9302876115432502
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7709639975354368
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.9295630021408771
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.07302597134631571
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.12216972540497899
+Sc1[nH]cnc2-c1ncn2,0.8208255767085997
+Clc1ccc2c(c1)nc([nH]2)N,0.33613475388950903
+BrCc1ccccc1[N+](=O)[O-],0.6343007403753423
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.9153934558207534
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.7730142812029931
+OC(=O)c1cc(O)c(c(c1)O)O,0.11371213642425726
+NCc1ccc(cc1)CN,0.23323573399407374
+CNC(=O)ON=C(SC)C,0.24482032456367853
+N#Cc1ccc2c(c1)nc([nH]2)N,0.36385383603420596
+[O-][N+](=O)c1ccccc1N,0.9503362202048793
+O=NN(Cc1ccc(cc1)C)C,0.8987581047649448
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.6913553234940156
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.9023782635466614
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.7870771388606349
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7168586945036464
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.7031381088725148
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.07856205583323779
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.08517305909447825
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.15852098379413612
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9986734850694836
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8448075833572302
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.7716350505605044
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.09175885888345886
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.9985850429061918
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.9295750169279157
+CC(c1ccccc1)CCN=N#N,0.9603924374099908
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.97290172921698
+O1C(C1c1ccccc1)c1ccccc1,0.6290213951882867
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.002701060661198933
+BrCc1ccc(cc1)[N+](=O)[O-],0.800978239192116
+COC(=O)c1ccc(cc1)CN(N=O)C,0.7448997125464811
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.5666679118855625
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.009029760385434835
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.1105289623478366
+O=NN(COC(=O)C)C,0.9786277665117017
+ONc1ccc(cc1)N=O,0.989226551870867
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.46520730986810216
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.04426566828366585
+O=C(OC(C)(C)C)CN=N#N,0.6252904385277095
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.18697702448983972
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9957337451216637
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.021881241515191864
+O=Cc1ccc(cc1Cl)Cl,0.13810469046038162
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6162247526675356
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.8509986334451656
+N#CC1=C(SCCS1)C#N,0.27072752316888277
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.0065017374572834555
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.02926326880348861
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.1738844739748415
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.11116110917348224
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.13760272344183183
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.9568598087400113
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.8957082308573755
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.5738976392680426
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.9507472354802952
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.03180667911354497
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.6789325324068475
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.797295903053848
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9378053102173507
+CN(N=O)C[C@@H](CO)O,0.9473679506371037
+OC(=S)c1ccccc1,0.23448900719356094
+NC(=S)NNC(=S)N,0.2750420250824532
+O=C/C=C/c1ccco1,0.32756424067914575
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.3549102527248255
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,0.0024454043014750762
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.6121413502482691
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.0993332290085638
+Oc1ccc(cc1)Cl,0.09421767048367187
+O=C1NCCN1c1nccs1,0.8763679622555228
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.005518352701821121
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7459618572867366
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.5989056863809264
+CCCCCCCC[C@H]1CO1,0.29545772017277
+ONc1ccc(cc1)Oc1ccccc1,0.9041700014730565
+BrC(Br)Br,0.3259962838928502
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.0026285873892441442
+C1CCOCO1,0.1919487105706884
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.14572714982391444
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7036314493703255
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7269471633824202
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9822553286466106
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9900815921659123
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9834861282479253
+OC(=O)C(CCl)Cl,0.17457896656537453
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.9107979006510293
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.27887850268957215
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.9141533509986471
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.019787575126025136
+O=Cc1cccc(c1Cl)Cl,0.056345966023787226
+OC=O,0.3259962838928502
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3[N@]4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.00019852528684425529
+N#Cc1ccc(cc1)C1(C)OC1,0.6478534101334964
+COc1ccc(cc1)CC[C@@H]1OC1,0.9361840449488235
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.636975437905728
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.7727907900832834
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.7040827705966787
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.9808620191402755
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.02102071352128421
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.025702788226998657
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.5056543642431554
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.032444004542416326
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.9788334230965651
+CCN(c1ccccc1)CC,0.48697530735463
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.03968690040196655
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.2763335676659431
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.6061173626428641
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.8793964839746834
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.014331216130841224
+Nc1ccccc1O,0.5546499705319595
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.6875458065129699
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.09241932584723489
+CC[C@H](OS(=O)(=O)C)C,0.8568615786014924
+NC(=O)N(c1ccccc1)c1ccccc1,0.6087440116668901
+Nc1cccc(c1C)N.Cl.Cl,0.8725409695490607
+ONc1ccc(cc1C)C,0.8219278372716091
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6683641260834687
+C=CC(=O)OCC(C)(C)C,0.12016982373182064
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.13955630216755333
+Br[C@@H](C=O)CBr,0.922529259721631
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.23529158913645087
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.8363590201998014
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.0237488015225493
+CNC(=O)O/N=C/C(SC)(C)C,0.18800285222048482
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.0031444417154384494
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.2765545130894527
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9870991117169978
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.14890614707664054
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9544776681297896
+ClCCCN(COC(=O)C)N=O,0.9951314570238546
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.8223294339491477
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.756033964425757
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5829385878001171
+ClCCC(=O)N(c1snc2c1cccc2)C,0.22937987947499477
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.8992015857517004
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.682859793242427
+Nc1ccc(cc1)N=Nc1ccccc1,0.8587765985031202
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.31234277009304745
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.03947071657094347
+CCC1(C)CO1,0.2371069030037403
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.06166363977925391
+CCCCN(/C(=N/O)/C=O)N=O,0.905690583715996
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.007650054174892872
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.901703154688647
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.664873183513462
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.34904528399242657
+NCCN1CCNCC1,0.5093004673652433
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.08979959809218349
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.0036990349699031976
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9942341322316182
+COc1nc2c(CBr)cccc2nc1OC,0.7029483683871244
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.5934467757247108
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.9985284204130662
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.9753418172910768
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.14954728923607066
+C[C@H](COC(C)(C)C)O,0.48856803345744854
+CCOCC(=O)O,0.04873615056336075
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.9662615191193126
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.5628254880938333
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.11859103249843157
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.5172428421412264
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.8698528638122421
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.019404111400870054
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.9594017937608998
+Oc1c(O)cccc1O,0.3021230450957189
+CCCc1ccc2c(c1)OCO2,0.18372103234184528
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.0021971463308361407
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.925599359210988
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4813586916963326
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.10325393594482761
+c1ccc(cc1)Nc1ccccc1,0.22705220173862728
+OC(=O)C1CC1,0.11524263886825264
+CC(COC(=O)C(=C)C)C,0.07105387770191299
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9526370625145715
+CC(CC(=O)Nc1snc2c1cccc2)C,0.1636283752836161
+OCc1ccccc1[N+](=O)[O-],0.26746840792154886
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.07040011603249088
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.006518513485698695
+O=C=S,0.3259962838928502
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.051461592418336866
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.1874269763994816
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.03006491821967157
+CNC(=O)c1ccccc1,0.11178737109864402
+CC(C(CBr)Br)Cl,0.9530975519934171
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.0505229435969339
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.033549658555585594
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.9500761511065129
+Nc1ccc(cc1)c1ccccc1,0.8195651411836298
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.07649157000284289
+COc1cc(OC)c(cc1C1OC1C)OC,0.6461502466148007
+COP(=O)OC,0.2838491625992971
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.10518515013555024
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.1009594145749864
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.8052558918070013
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.6457590728613458
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.8832995115397798
+OC(=O)CS,0.15425224485933592
+[C-]#N,0.3259962838928502
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9623370819325037
+c1cccs1,0.24962631203487512
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.015156775984034997
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.27461568122888713
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.938160674114332
+C/C=C/C,0.269445211492094
+CCCCOC(=O)C=C,0.01695638972668307
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.5326051092734541
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8631486099362253
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9869643670111606
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.05722576222566403
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.4950542126329667
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.5985913451983276
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.01418015594180205
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.02289599788246305
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9260063390009899
+CC(Cc1ccccc1)N,0.23253001018598304
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.966898652019526
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.01343664169105691
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.012283520755696074
+C=CCc1ccc(c(c1)O)O,0.11715629274196475
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],0.9472632575814341
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.8722852397321667
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.27377551387378496
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.0674918776560991
+c1cccnc1,0.1510620827919871
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.2247093622434603
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.8506597315064828
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8301243424444893
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.034799460113452155
+[O-][N+](=O)CCC,0.4280007356011526
+OC(=O)[C@@H]1CSCN1,0.15955242066853176
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.18331065947787173
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9887668423859335
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.9146839214060336
+C1COCCS1,0.4166335705644007
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.8409056048310986
+Oc1ccc2c(c1)OCO2,0.38760511273861314
+O=c1ccc(c[nH]1)C(F)(F)F,0.2659506024278435
+CCOC(=O)C[n+]1csc2c1cccc2,0.20948171455708764
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.5223232965082875
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.5475039034986314
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.1475975932669511
+CCc1cccc(c1N)C,0.22943559831801505
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.921709114859695
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.9278453173757925
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.047787716507462975
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.4395721083066297
+C[C@H]([C@@H](CBr)Br)Cl,0.9530975519934171
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.948785363281339
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.21130762869071543
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.05934940319108569
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.15574958123721233
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.6071545835071067
+OO[C@@H]1CCCc2c1cccc2,0.8707243815427156
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.02289373135882133
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.8798861572869993
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.36489489088826055
+O=CN(c1ccccc1)O,0.5517257294811596
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.09650564724023561
+O=C(Nc1ccccc1)CC(=O)C,0.05631844015326688
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.9022332545494391
+CCOS(=O)(=O)OCC,0.6682005076874146
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.9886434384578083
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.256484742188352
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8622768937678289
+CO[C@@H]1OC1(C)C,0.4602680536076601
+[O-][N+](=O)[C@@H](CC)Cl,0.3587816319571313
+O=NC([N+](=O)[O-])(C)C,0.5131703998629866
+Clc1ccc(cc1)Cl,0.15712556984293188
+N#CCC[C@H](C#N)C,0.12535210976188588
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.11630182832521126
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.033404340217294486
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.5513607251898409
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.04063239544715029
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9529636232093999
+O=C([C@@H]1OC1)NCc1ccccc1,0.950514190660362
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.03230876704572688
+CCC(=O)O.[Na+],0.0619323570772146
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.4552188890491977
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.11068024987670917
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9112996342625475
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.45669739888963273
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.20243024863066125
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.8951299496872419
+Nc1cnc2c(c1)cccc2,0.8754590960175048
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.9936009575593957
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.13049315988977453
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.08867841153769444
+COc1ccc2c(c1)nc(n2C)N,0.9061265749943513
+O1C=CC2C(C=C1)O2,0.4853408004054975
+Nc1sc2c(n1)c(C)ccc2,0.6634646790037562
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.004256387446016453
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.7198310315865772
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.2189590055067848
+O=Cc1ccc(cc1)N,0.4704078294033604
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.9359363674620184
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8063498018199377
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.982067245690594
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.7014639416297058
+O1Cc2c(C1)cccc2,0.21064782728122816
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.7781292731411358
+C[Si](N[Si](C)(C)C)(C)C,0.3259962838928502
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.93378078562652
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.8510413495210064
+O=C(c1ccccc1)OOC(C)(C)C,0.06888791640441834
+CS(=O)C,0.3250881854910393
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.09058386751343768
+CC(=O)c1ccccc1,0.18051726707244298
+O=C1OC2=CCO[C@H](C2=C1)O,0.4949295502159296
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.9952146813193051
+N#CCC#N,0.22944992723124272
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.11775895176286968
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5385225467021488
+CCCCCC/C=C\CCCCCCOC(=O)C,0.05757973574473503
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.6064178723431993
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.046192986698445786
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.37718079546923006
+Nc1ccccc1.Cl,0.6914309799208463
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.002878482729281191
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.9456321953034901
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.5506124145730799
+FC[C@H]1CO1,0.9077386953269582
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.9306704580827951
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.20408707148039631
+NC1CCCC(C1)N,0.05736947006502744
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.021255616882046094
+COC(=O)c1ccccc1O,0.06277270526772452
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9933759848871755
+CC(c1ccc(cc1)NC(=O)N)C,0.06509638681010388
+O=C1COC(=C1O)C,0.5818985002296958
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9628917176527385
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,0.7159601976159773
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.021554615516657234
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.9794724905822779
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.5131703998629866
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8953059758417902
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.37794054405630884
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9006816026644889
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.03940198314703596
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.9519016818604418
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.6775566042295165
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9827272259501211
+CCNc1nc(NC(C)C)nc(n1)O,0.025610250752928367
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.001460839427435962
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.8859316730508063
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.015047019321043702
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.8479605041018803
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9917187996833117
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.5796749587383809
+O/N=C/C1N(CCN(C)C)C=CN1C,0.06669548182366192
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6759349840161387
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.0597445338046024
+CCN(c1ccccc1)N=O,0.9046824587577547
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.7282168503088207
+CCCCN(CCCC)CCO,0.07199713105250753
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.8189656899057186
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.5217151988465144
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.3457914381203327
+c1coc(c1)c1nc2c([nH]1)cccc2,0.47920477025249236
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.25071650787700034
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.048064908448186006
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.9985101067868063
+[O-][N+](=O)/C=C/c1ccco1,0.40366699102280634
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.44389228822465127
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7447038296390761
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.8732769668662395
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.94260885412798
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7114757266789514
+O=C(C1(C)OC1)Nc1ccccc1,0.7317107682271824
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9779983042325343
+Fc1ccc(c(c1)F)N,0.9138922398550896
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.6420012941437135
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9490646686866088
+CCCCOCC=O,0.17249767092078605
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.2974623035246462
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.0023027999080211014
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.9330508234464561
+N#CC1=Cc2c3c1cccc3ccc2,0.7966797657022323
+OC(=O)c1cc(O)c2c(n1)cccc2,0.1401270186132615
+Cc1cccc(c1O)C,0.12416316305148253
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.8270317547452966
+OC(=O)CC[C@@H](C(=O)O)N,0.18037173193685596
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.07744403767113288
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.5234652892411183
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9484432488237624
+COCC12OOC2(C)c2c(O1)cccc2,0.5282861680021441
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.03633240391775023
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.31622001315972603
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.978398673127193
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.7177274762841271
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9842711488623186
+OC(=O)c1cccc2c1OC(O2)(F)F,0.021752713852961965
+CC1=CCC(CC1)C(O)(C)C,0.09020885957641214
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.07045749260043334
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6374857719142331
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.006408370364098456
+C[C@]1(OC1)c1ccccc1,0.7475727122802434
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.10013836711122419
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7284969601247517
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.8620916188725981
+CC[C@H]([C@@H](CO)C)C,0.27085046461381135
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.11453747535953239
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8156856052553312
+OCCBr,0.8269715338862585
+OCNC(=O)C=C,0.4379439754188495
+Oc1nc(O)nc(c1)C(=O)O,0.021928277661560133
+C/C(=C\C)/C#N,0.13326903617363453
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.12841153168415687
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.09800583639819602
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.0003165497470722345
+OCc1c(CO)cnc(c1O)C.Cl,0.04088291536547562
+C=C1CCC2CC1C2(C)C,0.018561951521831467
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9554664385791217
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.7919755866376291
+C[n+]1cccc(c1)OC(=O)N(C)C,0.08169853742042411
+C[C@H]1CN1,0.20343119218651243
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9621924989145965
+c1ccc2c(c1)nccc2,0.5119998092304558
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,0.030863974944981998
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.36100027097148457
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.9872151404981101
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.8486135514096863
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.018595366616147555
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.04226788826729934
+ONC(=O)c1ccc(c(c1)O)O,0.7480132810353228
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.35669195836545936
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9909460646909934
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.011599561308236377
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8345242980069056
+OC[C@@H](CCl)Cl,0.8695303797713029
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.5650859210957226
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.8476102219583628
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.9066893547297012
+N#CC(C(C#N)(C)C)(C)C,0.25414747221837214
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.18128194733535308
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.9486457771444149
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.8055557897252595
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.8359347037136657
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.8211880130035776
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6739696447293058
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9009314843031921
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.995483736872768
+ClCCN(CCCl)CCCl,0.9126917302886706
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.0026698634517694705
+Fc1cc2cccnc2c2c1cccc2,0.7790795801572749
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.0991036067750721
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.6334728811763752
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.8819060243966399
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.960943608249585
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.9684403469822919
+c1ccc2c(c1)c1ccccc1cc2,0.7482631896565595
+CCCCCCCCC=O,0.1255368250930628
+CCOC(=O)C(=O)C,0.16822990565629026
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.02512733199312104
+CCCCCON=O,0.6614990451424914
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.1308769576033725
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9281176570765097
+CCCCN(CCC(=O)O)N=O,0.9246087561477726
+CCO,0.254819292575792
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.05113100153982931
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5166372547765973
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.024050861616883832
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.5061293924783781
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.16079408787036342
+[O-][N+](=O)NC,0.540783664248248
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.29281535107509327
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.870666078298874
+CC(O)(C)C,0.432958235015257
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.0308016910017088
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.02558743711666855
+CC(C(=O)N)Br,0.8233735977373429
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.7255776182725363
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.8138852143294254
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.11176898636790035
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.08270783194728018
+O=NN(C(C(=O)C)OC(=O)C)C,0.9069356111105886
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9600459634763299
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.027201107107866898
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.15743491251736674
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8886191143928244
+Nc1ccc2c(c1)c1ccccc1n2C,0.9845545055602261
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.8910166549615632
+OCC(C(c1ccccc1)N=N#N)O,0.7299998327714017
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.3441708144220437
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9944637177748542
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.2013587311304392
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.17281694780329354
+COS(=O)(=O)C,0.9550084253040138
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.937839620229954
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.02618317689141851
+NC(=O)Cc1cccc2c1cccc2,0.6382037810099268
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.05965500600738634
+c1ccc(cc1)Nc1cccc2c1cccc2,0.41190491694835124
+[O-][N+](=O)c1cccc2c1nsc2,0.8896498870761946
+O[C@@H]1OC(=O)C=C1CCl,0.9126363588020396
+Nc1[nH]nc(n1)N,0.2872087273523693
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8836420948963501
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.5868358751342928
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9397395630539165
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9892519112638407
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.8620545737557865
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9891841422657243
+OC(=O)C[C@H](C(=O)O)O,0.08362116829720087
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.7469539807129382
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.020005115367408424
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.5606143092217906
+O=NN(c1ccccc1)COC(=O)C,0.856673454676177
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.05113100153982931
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.3063905529729903
+O=C1C=CC(=O)C=C1,0.2234747809610486
+O1C[C@@H]1Cc1ccccc1,0.9486555768067054
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.004039477512125622
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.06713486133435158
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.9408029438652379
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.957582765568347
+Nc1ccc2c(c1)cns2,0.945124210792448
+C1CCCCNC1,0.1699742451289892
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.818210814987262
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.991883019912396
+CCCCC/C(=C\c1ccccc1)/C=O,0.15934446130802274
+C[C@H]1CS1,0.21860878771408407
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.010781631988998548
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.8389242761873934
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.001207221380270462
+[O-][N+](=O)c1ccccc1C(=O)C,0.7476382594002385
+S=C(NC1CCCCC1)NC1CCCCC1,0.26657964565823594
+O=C/C(=C/c1ccccc1)/Br,0.7568450651839773
+CC(CNc1snc2c1cccc2)C,0.09439956028482703
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.1935401709420112
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.7502307636389529
+OC(=O)CC(C(=O)O)O,0.08362116829720087
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.9325463152273589
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.9693090846905376
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.00637729114887234
+OCC(=O)Nc1c(CC)cccc1CC,0.11280772701720687
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.8735707644006043
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.9314938616984647
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.9892484211698374
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9978779256465673
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.24402277856994858
+Nc1nc2c(s1)cccc2,0.6509339755625282
+NC(=N)S(=O)O,0.33224372357842297
+O=NN1CCCC[C@H]1C,0.9580075085643298
+O=CCC(CCC=C(C)C)C,0.1417317959921739
+OC(=O)c1cccc(c1)C(=O)O,0.04821348806499142
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.7944678162485163
+Nc1ccccc1N,0.6634643484836464
+OCC(CBr)(Br)C,0.4102284527410656
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.997353158897593
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.0506555455324412
+OC(=O)c1ccc(c(c1)N)C,0.5712591726324582
+Nc1ccccc1c1ccccc1,0.8088557786467021
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.012587206776308587
+CCc1cccc(c1N)CC,0.1896520864794101
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9862301323122744
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.7139848166525852
+C/C=C/c1ccc2c(c1)OCO2,0.20373617778911368
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.9770407114798597
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.7175306632827834
+Nc1cn[nH]c(=O)c1Cl,0.28399401559136395
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.942627183586174
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8206226337809044
+Nc1cccc(c1)[N+](=O)[O-],0.975790416157507
+O=C1OC(=O)c2c1cccc2,0.275176573132985
+ClCC(=O)c1ccccc1,0.6284347516365374
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8833389887848849
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7085805319278943
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9842342295565616
+ClC(Br)Br,0.33224372357842297
+Fc1ccc(c2c1ccc1c2cccn1)F,0.7605655360429362
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.39549185613206955
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.02363122160340473
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9871807185574928
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.3572372318810695
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9952368951427882
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.022262041000102425
+CC(=O)c1ccccn1,0.5683369252630862
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.1416545526799522
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9173500937511994
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.4798944577500725
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9932863148474612
+BrC(C(Br)Br)Br,0.3430137779572095
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8475510408965607
+CC(OC(=O)C(=C)C)C,0.23653990684446535
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,0.18001168297247738
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.9970109907837256
+O=CC1C=COC=C1,0.4941332336889669
+COc1nncc2c1cccc2,0.22183673115973557
+C1=C[C@@H]2[C@H](C=C1)O2,0.24702681236410456
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.018490026339907994
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.6738612717543951
+Nc1ccc(cc1)/N=N/c1ccccc1,0.8551985286756332
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.04387613365768945
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.9751280318622955
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.042571054347413886
+O=C/C=C\c1ccccc1OC,0.7138276122590215
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.001515883365302362
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9988462631286635
+O=C(C1OC1)Nc1ccccc1,0.8856655788457853
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.6945812845747125
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.0627091995901781
+Cc1ccc(c(c1O)C)C,0.15927369774567615
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9938738654139341
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.755610703293049
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.8811747809884795
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.9874734054459426
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.23703314916241167
+ONc1ccccc1,0.8304502688838328
+CCCN(CCCCO)N=O,0.9803704457072195
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.5617450435308674
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.17549600728721212
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9874796595756161
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9510079539657964
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.3323359477259896
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.7786169558983284
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9847192300123149
+CNC[C@H](c1cccc(c1)O)O,0.014894971463738324
+Oc1cccc2c1cccn2,0.5766805293339269
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.2683716587131735
+Cc1cc(C)cc(c1)C,0.2827215542482633
+[O-][N+](=O)c1cncn1C,0.9394886714092804
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.1804011337480018
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.9071993993923508
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.8412288805131416
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.8243800644872045
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9951977021845813
+c1ccc2c(c1)oc1c2cccc1,0.6507002689800744
+BrC(C=O)CBr,0.9254775648411571
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.978477252751212
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.27282492283683535
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6864778707653149
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.07277190752335032
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.7217731731731787
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.7762808187288527
+Nc1ccc2c(c1)cccn2,0.9443066965371129
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.9839894506597382
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.04379909144148967
+O=C=Nc1cccc2c1cccc2N=C=O,0.8320231118327918
+CCOc1ccccc1[N+](=O)[O-],0.502033240261721
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.9318665362822457
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.8456523899164525
+NNc1nnc(c2c1cccc2)NN,0.9086559845681813
+CCCC(=O)OCCC(C)C,0.024515863709092277
+ClCc1ccc(cc1)OC,0.588767916055856
+O=c1ccoc(c1O)C,0.5130296669602967
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9687966044060053
+O=NN(CC(=O)O)CC(=O)O,0.6277776806071941
+Oc1nc(Cl)nc(n1)Cl,0.21044821997414348
+ClCC(=O)Nc1snc2c1cccc2,0.9238001102617941
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.7986142696381575
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.08211787154518965
+O=C1c2ccccc2C(=O)C1(O)O,0.26121056254365593
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.2534256669213274
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.8038605293642895
+ClCCC(CBr)Br,0.9609265518245368
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.8871847941869924
+O=NN(C(=O)N)C,0.9626811870191485
+ClCCN(C(=O)NCC(=O)N)N=O,0.9968484857399761
+CC(=O)Nc1ccc(cc1)O,0.37044441911766857
+Cc1ccc(c(c1)N)N,0.5079175947689271
+OCCN(N=O)CC,0.9834159818784715
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9904378037181569
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.48021176078510586
+[O-][n+]1ncc2c(c1)nccc2,0.23295363726959223
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.0011030415828767032
+Cc1ccc2c(c1C)c1ccccc1cc2,0.7046635121320912
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.472615671953323
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.47353479977577473
+N/N=c/1\sc2c(n1C)cccc2,0.7229606306243177
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.1407850451985625
+Fc1cnc2c(c1)c1ncccc1cc2,0.5102352575636017
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.09406502318552913
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9531652986940026
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.31512409617944026
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.99341526763507
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8412544870827949
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.13385647733552442
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.12149403934584443
+CC(=O)OCN([N+](=O)[O-])C,0.8421148340455784
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9877997077609696
+CC#N,0.25414747221837214
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.10216662064300401
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9308673668097857
+CCCN(C(=O)SCC)CCC,0.05353248156171614
+OC(=O)CBr,0.19355304562401443
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.4481766101583801
+CC(CC(=O)CC(C)C)C,0.2155158537494057
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.9013053043724744
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.10052128810021
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.6929405619877936
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.9519178163569185
+O=Nc1ccc(cc1)Oc1ccccc1,0.9552590017981752
+CC(=S)N,0.33224372357842297
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.005589354024407431
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.022809662094905838
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9351387056970794
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8173433526856116
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8815753910874433
+CC([N+](=O)[O-])(Cl)C,0.5233109493483843
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.988002431350327
+N#Cc1cc(Br)c(c(c1)Br)O,0.11841792987290692
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9320666543837592
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.012254829078590988
+CC(=C)C1CCC2(C(C1)O2)C,0.2985084308253516
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.11943085686431854
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.6519674974178117
+CC(=O)Nc1cccc(c1C(=O)O)N,0.3245517063438096
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.4421331703306592
+Nc1ccc2c(c1)nccc2,0.8697346511716173
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.005496485116365072
+Clc1nncc2c1cccn2,0.25518917623407983
+NC(C(=O)O)Cc1ccccc1,0.2899880224241253
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.8949905517088199
+CC(=O)CC(=O)C,0.1173674686594591
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.08777033564916709
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9891286041259355
+CCOC(=O)N(C)C,0.12534705066058127
+OC(=O)c1cccc(c1Cl)Cl,0.019662157514114726
+Nc1cc2nc3ccccc3nc2cc1O,0.6895277417933051
+O=Nc1ccccc1c1ccccc1,0.865356843813104
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.891832598034054
+CCC(=O)C(=O)C,0.8566471142342953
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.4712917525472588
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.06835658773546469
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.10006102201736354
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.022218368833758502
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.42197514725738294
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9956793796566307
+OCN=N,0.3983592223119972
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.9088356489553225
+Nc1cccc2c1cccc2N,0.7889311307901113
+CCOC(=O)[C@H](Br)C,0.7186335015405328
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.2644871384774869
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.918428012624676
+CNc1ccc2c(c1C)nc(cn2)C,0.8281432372782753
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.710908132657145
+CCCCC=O,0.24976326589720432
+OCC(CBr)(CBr)CO,0.7378344551919056
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.9641552974338667
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9874896259638677
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.006430143072834042
+O=C1NS(=O)(=O)c2c1scc2,0.05364553878582737
+OC(CN=N#N)CN=N#N,0.9567563741355615
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9883238656528456
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9492495533951393
+CC(OP(=O)(F)C)C,0.13752213687822137
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.012287004318258375
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.6667678065175497
+c1ccc2c(n1)C1OC1C1C2O1,0.14126607419644627
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.0014204363879632075
+Clc1ccc(cc1)S(=O)(=O)C,0.084634421004874
+C=CC(=O)OCCCCCC(C)C,0.009475636034183662
+OCCOCCOCCO,0.12211568610232051
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.6348361836749332
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.939440527865291
+CCCC(=O)Cl,0.7815191281240741
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.03961385111542454
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.031350707222394705
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8963547775372207
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.2085806163634506
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.920881861677875
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.1873097015348918
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.0739279515296064
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.4381366927893727
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.9925391342028078
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9446469804188447
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.4899639919047106
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.08331063582848415
+Cc1cccc(c1)C,0.2344216842771843
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9268972874900684
+CCCCOCCCC,0.07771878721542576
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.03509819796505984
+Nc1ccc(cc1Cl)C(F)(F)F,0.3150176139601313
+CN1CCC[C@@H]1c1cccnc1,0.03932308421901299
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.06654022081617658
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.02931007937180395
+OCc1ccco1,0.5009269457548103
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.07365272872138418
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7652712922969833
+CCCCOB(OCCCC)OCCCC,0.14677502696814118
+CC[C@H]1CO1,0.7815039056653534
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.2063711607021174
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.686539501524324
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.9978379632570573
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.3730702446585437
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.9668712928362626
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.15349208078045276
+O=C=Nc1ccc(cc1)N=C=O,0.617023583193213
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.823337368267992
+C[C@H](CCC(=O)c1cocc1)O,0.2510537486521436
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9950591821050654
+CCCC[C@H](CN)CC,0.03583636496252089
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.42353435290949315
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.8724837045953933
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.7241242772696858
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9975781498115619
+Cc1cc(nc(n1)N)C1CC1,0.08941972130476927
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.9531652986940026
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.998210427589472
+Nc1cc(Cl)cc(c1)Cl,0.336513780313605
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9786877687793261
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.92395692287862
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.09526084224350617
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.021158387358819385
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.17141294508800273
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.10335064429803639
+C=CCOC(=O)c1ccccc1N,0.08191806525793022
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8686439702398961
+CC1CCCC1,0.07876440486048664
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.7028761244032644
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.4160521173520823
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.011395135094722307
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.2459591966605783
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.9172167043698949
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8908652319494199
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.005396713043984674
+c1ccc(cc1)c1ccccc1,0.4804369126750549
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8995132556860154
+O=C1C=CC(=O)c2c1c(O)ccc2,0.7616399695892602
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.3243458425423108
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.9542663079358621
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.02878530981724631
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.7332389980089776
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.7741976496169486
+CNc1ccc(cc1)[N+](=O)[O-],0.8491076438846935
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.006721534907115013
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.9956540634533698
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.4274388752788836
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.005725310211242205
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.5432884843271186
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.8778470583567562
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9823427143402372
+CN(N=Nc1ccc(cc1)Br)C,0.5126884333917943
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.818567176223937
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.14493217755740984
+COc1cc(ccc1OC)CC1CO1,0.9695943398063717
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.014434158869300402
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.945039822116493
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.15495179148636262
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7264258375299939
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.7312458531556013
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.028015786211167456
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.20782753658163944
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.07537058268884612
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.27289303136388204
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9407414239125338
+COCCCN,0.44564008847750086
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,0.010553524184707135
+c1ccc2c(c1)Sc1c(N2)cccc1,0.5131326855995547
+CC(=CCC1CCCC1=O)C,0.15545359808321604
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.144482701480295
+NC(=O)NCC(=O)O,0.5291568998217028
+O=C1CC[C@H](N1C)c1cccnc1,0.022357504441541217
+CC(=O)O,0.09964239834109162
+FC(OC(C(F)(F)F)Cl)F,0.16065290234914203
+CC=C,0.2682547896569932
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.7640895521791699
+ClCCN(C(=O)NC1CCCCC1)N=O,0.9931014639452062
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.028512338602935724
+CC(C(C)(C)C)OP(=O)(Cl)C,0.056404375742861675
+BrCc1c2ccccc2c(c2c1cccc2)C,0.7416240835314715
+BrC(C1=C(Br)C(=O)OC1)Br,0.9107913602017338
+CCCCCCCCCCCCCCCCCCO,0.04846537910473707
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.6663403979551245
+CN(/N=N/c1ccc(cc1)Cl)C,0.7119176804077869
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.3283222824857541
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8659173734680987
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.753110657788564
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.961949844622593
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.5305394081504146
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5916569566705949
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.1852681223474831
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0.033523163596275066
+O=C1NCC(=O)N1,0.4916508046801521
+CCCC[C@@H](C(=O)O)CC,0.02586550714788283
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.9061602618586442
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.7319461109257518
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.9743745054181218
+Cn1cnc2c1ccc1c2cccn1,0.6789548826686176
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.019502928341632447
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.5919436120046503
+NCc1cccc(c1)CN,0.2265746752335325
+CCCCCCCCCCCCc1ccccc1,0.041215663261859076
+C=CCc1ccc(cc1)O,0.09802022096735133
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.008995036996998522
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.18100128152870454
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.44227995600939957
+O=c1[nH][nH]c2c1cccc2,0.1779600744103599
+C/C=C/C1OC(=O)C=CC1O,0.489019579156615
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.7745635556674355
+Brc1cccc(c1)[N+](=O)[O-],0.41371214149458235
+Clc1ccc(c(c1)Cl)O,0.053171685908866055
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.47125287916954994
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.8945425246995466
+CNCC(c1ccc(c(c1)O)O)O,0.05478568772465717
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.032865427151569315
+CC1CCC2CC1C2(C)C,0.30980752525963323
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.300029889946403
+Fc1ccccc1,0.24479061741298636
+COc1ccc(cc1)CN(N=O)C,0.9498257287223298
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.5923703092580344
+C=CC(=O)NCCCN(C)C,0.17780715987878265
+Clc1ccc(cc1)CNC1CCCC1,0.022382536578019606
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.6606274785248412
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.5709597082487651
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.40549485128570617
+CCCCCCCCCCCC(=O)C,0.010523683575512179
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8539412351099902
+OCCOCC,0.07512908202333497
+Brc1cc(Br)c(c(c1)Br)O,0.07939059313341626
+Cc1nnc(c(=O)n1N)c1ccccc1,0.7386402808265478
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9681756359428072
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.7258221186867373
+CC(C#N)O,0.25414747221837214
+OCc1ccnc2c1cccc2,0.08393344045075443
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.01722602930741064
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.26508585751598357
+CC1=CC(C)(C)Nc2c1cccc2,0.25748617618376596
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.005735273589360722
+c1ccc2c(c1)snc2,0.7277568541224289
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.06582736119011993
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.049282021960068235
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.04694602830897748
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.13983131056788592
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9139045714435343
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.014848556532582866
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6588078690263123
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.15239096404850755
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.7179847689830912
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.6501003467516224
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.9236242925272908
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9674146313722319
+S(Cc1ccccc1)SCc1ccccc1,0.17839280460145396
+Nc1ccccc1SCCSc1ccccc1N,0.7880795170592917
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.17127760223844735
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.7931958512126238
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.7221323333282257
+C[C@H](CN)O,0.10493387389915929
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.526004539017882
+C=CC(=C)Cl,0.5278029269382983
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.10364853732370904
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.0312258580307169
+CC(C#N)C=C,0.1454731288348702
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.8993454183016134
+COc1ccc(cc1)C[C@@H]1OC1,0.9777650233338181
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.11974186559578434
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.5583472222642473
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.14045874286429644
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.8449656839125689
+CCN=[N+](C)[O-],0.3095420756977632
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.036437633536135786
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.06997176411881963
+C=CC(=O)OCC(C)C,0.06138546701893667
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.016500237572089432
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.4567631332820359
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.8357252698307496
+CC(=O)C=C,0.3973863310273233
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.8189074978533188
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.056046586517937744
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.987707901713546
+ClCC(=C)Cl,0.7659001431482153
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.019836403915132403
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9952960754707046
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.8064265138471355
+c1ccc(cc1)c1nc2c(o1)cccc2,0.12666375343270903
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5539333998905668
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.05966083614356503
+ClCc1cccnc1,0.1224681022502511
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.11600945548632746
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9957634602829869
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.16787393621758784
+BrCC(=O)N(Cc1ccccc1)C,0.08482864488580108
+[O-][N+](=O)CCC(=O)O,0.13358191101636413
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.004631871362675006
+[O-][N+](=O)[CH-]C,0.3819836490123912
+O=Nc1n(C)cnc1c1ccccc1,0.8514937302989376
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.04617091597394528
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.43391772310838317
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.06729909757851814
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.944077013931779
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.08754934536062318
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.885620405849178
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.1067928896963525
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.992543147184807
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.006206440293034963
+Nc1cccc2c1nc1c(N)cccc1n2,0.9082942552909166
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.2253162368657556
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.9890025722360182
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.001980825590734871
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.0385924632898257
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.9934695523630803
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.38706724693292255
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9682044222373054
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.11477509514131289
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.044072862392397924
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.9632309740698086
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.025619672120497563
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.3397052814593584
+FCC(F)(F)F,0.18944055788262137
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.0023592775883955913
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9892936385363704
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8661047298259891
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.8148032449217212
+CNC(=O)Nc1ccc(cc1)C(C)C,0.027142921958616662
+[O-][N+](=O)c1ccc(c(c1)C)N,0.9207535538672007
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.851175649495005
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.6514855552971546
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.28203122947793047
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.8552902737258109
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.978477252751212
+Oc1ccccc1c1nc2c(o1)cccc2,0.26553729801065196
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.7868019335519071
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.9113731436633634
+[O-][N+](=O)c1cnc(s1)N,0.9468359397679714
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9948050027946914
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.06145523710343259
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.23651686884373732
+c1cnc2c(c1)C1OC1C=C2,0.5180171395923007
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.4260507157981012
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.8666452995882086
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.5927816637998997
+Cc1cnc2c(c1)cccc2,0.45427079180513447
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.019545430484413585
+CCOC(=O)C(=C)C#N,0.18779772832377714
+O=S1(=O)CCCO1,0.8832245385509244
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.2129312939260037
+CC12OC1C1CCCCC1c1c2cccc1,0.03269722019282589
+CCCCOCCOCCOCCCC,0.10995717633074986
+COC(=O)c1oc(c(c1Cl)Cl)N,0.2616817016062736
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.061989030755586434
+OCC([N+](=O)[O-])(CO)Br,0.49669221963909654
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,0.955070158831335
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.6168845158039972
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.06603253890120439
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.9522821873183989
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.5085505244895728
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.13613558511004592
+CCOc1ccccc1N,0.840099560515763
+NC(=N)NC#N,0.4212054065606212
+CC1(OC1)c1ccccc1,0.7790716723762505
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.8773869563724924
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6011395165701506
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.9513407940575644
+Cc1ccc2c(c1)ccc(=O)o2,0.39296821901483675
+O=c1n(CC2CO2)sc2c1cccc2,0.9529113382010741
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0.5072310167075538
+[O-][N+](=O)[C@@H](CO)C,0.37556162004772875
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9521148869131283
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.8716550246424543
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.020817592949061093
+COP(=O)(OC=C(Cl)Cl)OC,0.31015251648705333
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9668454194221214
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.013715676082144183
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.6839916239331265
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.2215655040742277
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.0602915221148105
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.4239375577503628
+BrC/C=C\CBr,0.5748000812142251
+C[C@H](C(=O)NCc1ccccc1)Br,0.9467505344586067
+CCCCCCOC(=O)C=C,0.006884759745389416
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.008382805898403803
+CN(N=O)C[C@H](O)C,0.9493030339617587
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.04057127481041768
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.3254311066728256
+ClCC=CCCl,0.7112994063079313
+ClCC(C(Br)(C)C)Br,0.5697115537952018
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.5926672183475125
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.8029469651136876
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.015181979092053375
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.15061736112054414
+C[N+]1=CC=C(CC1)c1ccccc1,0.46498954029182
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.7971978905914724
+CC([N+](=O)[O-])(Cl)Cl,0.5233109493483843
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7640034991149075
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.8857945296855034
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.9834570969604335
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.7771059603441246
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.2547204254687201
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8937716760640207
+c1ccc2c(c1)ccc1c2cccn1,0.8494835063455908
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.34446571217214983
+Nc1ccc(c(c1)O)C,0.5995189459222896
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9970913008808338
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.9948624518101618
+Nc1cccc2c1-c1ccccc1C2,0.7862298025253887
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9868240243026588
+Clc1ncccc1Cl,0.08880750523863767
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.2008963366495736
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8460875475463847
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.8955150847134025
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9251573717429883
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.9764304249641378
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9848504147641043
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.49170514176613245
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9540055475805009
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.9432654803840491
+CCCCCCCCC=C,0.06563560998995664
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.5699622139661561
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.8215708628892062
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8742663760139842
+COc1cc(N)ccc1N,0.9665606802519272
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.11039708107061152
+CC(=C)C#N,0.21962946746382472
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.06497465530753783
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9855805556830037
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8451373695105212
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.947989201867151
+CNC(=O)CSP(=O)(OC)OC,0.5302566272448613
+CC[C@@H](CN)O,0.09757406248513742
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.938932802479788
+COc1ccc2c(c1)C1CCCCC1C=C2,0.7371663032556984
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9880941267885703
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.08919773895697715
+CC(N=C=NC(C)C)C,0.31536073634003575
+c1ccc2c(c1)Sc1c(O2)cccc1,0.3246965526001816
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.21558286916868122
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,0.02508699887891679
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9742495417393042
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9881598917419689
+Oc1cccc(c1)O,0.2423928861139505
+Clc1ccc(c(c1)Cl)Cl,0.09105070927795515
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.5043835823850754
+O=Cc1cccc(c1)[N+](=O)[O-],0.725714367895661
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9170345224660162
+O=C([C@]1(C)OC1)Nc1ccccc1,0.7729181143262257
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.8616375235325562
+C[C@H](C=O)CC,0.15665882598133665
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.0016502893311356806
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.9295899375312128
+Brc1ccc(cc1)c1ccccc1,0.126647408239953
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.10113503364766964
+Fc1cccc2c1c1cccnc1cc2,0.7274398099677933
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9975733180905061
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.016788261058771604
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.07434862103363539
+ClCCNCCCl,0.8495521385366731
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.8208665214760072
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.2965325373521804
+Cc1cccc2c1ccc1c2cccc1,0.8141628110316513
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.07136999758659444
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.15164236084415408
+CCOP(=S)(OCC(C)C)SCCl,0.05488867302260575
+OC(=O)c1ccc(cc1)Cl,0.04037882423246261
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9725375953571205
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.6959764629122311
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.9087868027712487
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9963933742718196
+COc1cc(ccc1O)CC1CO1,0.9785817790625944
+CS(=O)(=O)C,0.24197337751873868
+Oc1ccnc2c1cccc2,0.6757845791698162
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.8630712248120255
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.994200176986022
+Cc1ccc2c(c1)cccc2C,0.6604071276241701
+Oc1ccc(cc1O)C(C)(C)C,0.05855536698732636
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.13687852914874774
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.05365606993832908
+COc1nsc2c1ccc(c2)N,0.9672965893141315
+COc1cc(ccc1N)[N+](=O)[O-],0.9912661559717296
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9878328161815763
+CC/N=[N+](/CC)\[O-],0.12249341480498323
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9079519947381105
+CCOC(=O)c1ccccc1C(=O)OCC,0.05865341800299526
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.9522826864004359
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.981568990983157
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.08462081683547074
+CC(OC[C@@H]1OC1)C,0.9462176670442045
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.003788126828557516
+[O-][n+]1c2ccccc2nc2c1cccc2,0.5924334261358141
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.3156268123208125
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.8926765741867412
+CCNS(=O)(=O)c1ccc(cc1)C,0.29303216317792496
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.8984215322527337
+CO[P@](=O)(NC(=O)C)SC,0.14930216818679762
+CN[C@@H]([C@H](c1ccccc1)O)C,0.03828530824189898
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9958930594021574
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.14927596155583833
+Cc1ccccc1N.Cl,0.7488911199579344
+[O-][N+](=O)c1nccn1C,0.8729928617134481
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.03987178595267591
+BrCCSCC(C(=O)OC)NC(=O)C,0.9124774334812893
+CC(=O)/C=C/c1ccccc1,0.17764583148602198
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.6387124700632005
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.0912156977639741
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.021737409978817082
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.491697568607315
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.06611063922852611
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.008970111090495541
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9871915082290971
+CC(=C)C(=O)OC[C@H]1CO1,0.9726501115075517
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.6334728811763752
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.35445366563563896
+ClC[C@](CBr)(Br)C,0.5493276726206467
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9826894235279262
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.011544628269607208
+O=C(C(C)C)Nc1snc2c1cccc2,0.5673449138509182
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.19323303318802526
+CCCC(=O)Nc1snc2c1cccc2,0.19349284784370538
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.027956138047854906
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9826894235279262
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.713048288333675
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.010635562021558504
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8887178728116799
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.2026184615378835
+COC(=O)C(=C)Cl,0.6665303853509816
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9669811590054466
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.014306777730760431
+C=C,0.33224372357842297
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.050154270165986635
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.9130995152488376
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.8234162358040222
+ONc1ccc(c(c1)Cl)Cl,0.6576390927608409
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.930607226041492
+Nc1ccc2c(c1)s[nH]c2=O,0.9497993520699188
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.39930139470910125
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.716655048352027
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.9131468642069152
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9546289844144494
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.5039242120217171
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.9123861464533336
+OCCN(CCO)CCO,0.34699913599394594
+O=NN(c1ccncc1)C,0.5639240737829382
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.006524903873825929
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.24180904004641912
+CC(c1cc(ccc1N)c1ccccc1)C,0.6084388024489997
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.8890375689464859
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9902415743706922
+Cc1cc(nc(n1)O)C1CC1,0.06693101746397925
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.06580302883664127
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.1042639904248333
+C=CC#N,0.23254236867186903
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.001173002933936501
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9876642091936348
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.9622817639611271
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.9804416652663249
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.10073683120495266
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.5639344707348927
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.06007064265176197
+CCC12OC2O1,0.07082854650689506
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.35449995950430924
+C1COC1=O,0.2716104252349787
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.08694767209251043
+OC(=O)O.N.N,0.1276879179375619
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9935852170039788
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9814382702823984
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.3425587346808858
+Cc1nc(N)nc(n1)N,0.1630565073549197
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.3499536948455532
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.5659003316218808
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9714141877382515
+CN(c1[nH]cnc2-c1ncn2)C,0.3171032930043141
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.5937839106097513
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.4916675184284844
+O=c1oc2cccc3c2c2c1cccc2cc3,0.463413528809295
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.4865492182727958
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.9974349415881942
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9912255917809754
+NNc1nncc2c1cccc2,0.9196184145426105
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9140919367220848
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9580030184507964
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9494047779834704
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,0.18344034371592657
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.00010844921149205776
+NC(=N)c1ccccc1,0.07211729954432561
+c1cc2cccc3c2c(c1)CC3,0.8716474635670708
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.03628070810747154
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.9670850115821715
+c1ncc[nH]1,0.32823482511156715
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.02050868780390406
+Clc1cc(Cl)c(c(c1)Cl)O,0.0502329322888117
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.8826490871234182
+OCCN(c1ccc(cc1)C)CCO,0.15535182340911502
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.9915417855991139
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.995041061478859
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7125109001348234
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.18587043281641336
+[O-][N+](=O)C1CCCC1,0.1741194539884487
+OCc1ccc(cc1[N+](=O)[O-])N,0.8208543234048498
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.9474907545499143
+S1CCSCC1,0.43758980177534523
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.0009459176967484246
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.051620746004962165
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.02249488539772387
+CC(C[C@H](O)C)C,0.11165852347088971
+[O-][N+](=O)c1ccccc1C(=O)O,0.5605797743098069
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.06874343459662327
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.16625892214482674
+ClC/C=C\Cl,0.9115594464530313
+OC(C1CO1)CO,0.8496411772104094
+Nc1ccc(c(c1)N)O,0.857933726570186
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.213098019015749
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.07131185655576894
+O=C1C=CC(=O)c2c1cccc2,0.6139630498235376
+c1ccc[nH]1,0.15780540460881332
+Oc1cccc(c1)Cl,0.05518963988382757
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.2802589604239777
+NC(=O)CI,0.41767386170231446
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.603284800151713
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.2080888795962552
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.23196690084432522
+CNC(=O)Nc1ccccc1,0.10126644689366102
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.648255840894543
+N#Cc1ccccc1[N+](=O)[O-],0.6047818967692771
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.07846071495651089
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.9707916407563132
+Cc1ccc(c(c1)N)O,0.20580366972772474
+NCC(=O)Nc1ccccc1.Cl,0.5218008264169538
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.8958464342762419
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.7898726340905902
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9142877055951607
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9103059987217159
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.0037920560788585237
+OC1CC[N+](CC1)(C)C.[Cl-],0.1280873137194023
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.004032891757586146
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.7372195720851914
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9806366471693387
+OCCC#N,0.20755395205264607
+Cc1cccc(c1)[N+](=O)[O-],0.608386752820567
+Cc1cccc(c1)O,0.11635282102648807
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5338451414461693
+CCCCCC[C@@H]1OC1,0.33519301598545265
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.8338753888743433
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.0055191332738558415
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.11123783404221554
+Nc1cc2ccccc2cc1N,0.8164734392470535
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.09572428992525278
+O=C(C1OC1)NCc1ccccc1,0.9672969295172248
+CCCCCN(N=O)CCCCC,0.9413769928182036
+Cc1nc2c(nc1C)ccc(c2C)N,0.9579120270799435
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.021525509954396886
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.02290474742711407
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.9939080594305628
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.03517074542135729
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.6445744122135005
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.4000231708602493
+Oc1ccc(cc1)c1ccc(cc1C)N,0.6202662230077268
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.18835020427344146
+Cc1cc(C)nc(n1)Nc1ccccc1,0.09477534400176095
+O[C@@H]1COC(=C(C1=O)O)C,0.6725077892124851
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.8806501668766067
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.023557107497106804
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.37686078824298835
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.98459019347475
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8279055720253311
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.7038541466870198
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.006083261141515199
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.1502868997557202
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.6583919739657512
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.15833573949375565
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.030424460575934162
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7009222372837561
+COP(=S)(OC)OC,0.43595170503008085
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.024857346606727348
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.938186444882636
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.871434536825567
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.9752105607947764
+CC(=C)C1CO1,0.8711887727468701
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.07045539862165295
+OC(=O)CCCCC1SCC2C1NC(=O)N2,0.0510610536284471
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.04775172396761632
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.23920546665972234
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.5994618839052208
+COC1=C(OC)C(=O)C(=CC1=O)C,0.17718346944956928
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.8875525644777376
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.47393565117003744
+C=Cc1ccc(cc1)C,0.1348867468650845
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.9619430095215066
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.9754637870824926
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.00858419404688991
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.03517074542135729
+CSc1ccc(cc1)Cl,0.07161391841508859
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.22410231565683125
+C/N=N/O.[K+],0.7699321993790961
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.02681631439063801
+O=C(n1cncc1)n1cncc1,0.2398679161244212
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.043477935352832175
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.03674543254033861
+Cc1ccc(cc1)Cc1ccccc1,0.17544310033377972
+Cc1ncc2c(n1)CCC2,0.1508538210176615
+CC(=O)OCN(N=O)CCCl,0.9901947595522371
+O=Nc1nccn1C,0.8254229963734586
+OC[C@@H]1SCCN1N=O,0.5895649001766546
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.8252757318915028
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.004157802735620976
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.9059879562201788
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.03451596615790683
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.9269098009044424
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.10208840316275203
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.23648816287594962
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.6221236998889484
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.5134440736927705
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.15997309538619953
+O=C1C=C(O)c2c(C1=O)cccc2,0.6329942315648042
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.16324992043579928
+O=C(c1ccccc1N)OC1CCCCC1,0.07892321572222101
+O=Cc1c2ccccc2cc2c1cccc2,0.5621055977813194
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.39324077248272205
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9190281647526237
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.7781287140689028
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.2610237163579804
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.750245424824512
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.886892978682652
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.12675022058391036
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.9384990852101752
+Nc1cccc2-c3c(Cc12)cccc3,0.9210179336995545
+Cc1cc2-c3ccccc3Cc2cc1C,0.7942341523025793
+CCOC(=O)CNC(=O)C(Br)(C)C,0.044056120188622754
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.18379295625719444
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.48652611298515375
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.6490454092371698
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.6534664248222352
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.9322557505624983
+COc1cc(N)ccc1C,0.7586589926966415
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.5915882720831331
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.03851501418215346
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.002944827955140321
+CN(c1nc(C)c(c(n1)O)C)C,0.09514250635697942
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.7707390755930201
+N#C/C=C\C#N,0.19893786502081856
+c1scc(n1)c1nc2c([nH]1)cccc2,0.2676464206170702
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9616022017165244
+CC(CCON=O)C,0.86986296300297
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.03865609124789444
+CCCC(=C)C=O,0.5713151655211633
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.9879432975964528
+OC1=C(C)CCC1=O,0.3108349473363949
+C/C=C/CC#N,0.13305253336598835
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.8523353884489735
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8560832311329056
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.11963783395248645
+CCC(=C)C=O,0.5044251914808382
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.009478791014326247
+Nc1cccc2c1snc2Cl,0.8819946553602256
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.41147210568841447
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5726412001612255
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.030276096127351784
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.011531207205934138
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,0.005675139414228055
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.8203162077634607
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.037950124310143225
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.05416994062131842
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.8164860112041049
+CC1=CC(=O)CC(C1)(C)C,0.07833799775647401
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.9406009849922777
+N#Cc1ccccc1,0.2001118815307112
+C=CC(=O)OCCCCCCOC(=O)C=C,0.023366571338634515
+NCCNC(=O)c1ccc(cn1)Cl,0.12707746281033996
+O=C1c2ccccc2Cc2c1cccc2,0.22799399897495642
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.004187916214881199
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9467461990949767
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.37936123914967895
+O=Nc1c(CC)cccc1CC,0.3877318217591016
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.7943857022353386
+Nc1ccc(cc1)F,0.6971692254062314
+CC(=O)Nc1cccc(c1)N,0.8310671208562204
+OCCCCCCC/C=C/C=C/C,0.5390395696463497
+O=Nc1cccc(c1)c1ccccc1,0.9572221741105655
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.5653898559157431
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.8938668755457401
+NCCNCCNCCNCCNCCN,0.42443298746972385
+COP(=O)(N1CCOCC1)OC,0.21153153316571055
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.02621095409648828
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.12980573566429232
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.9830265546264092
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9898854964842151
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.09412374581947963
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.013594758745625386
+C/C=C\c1cc(OC)c(cc1OC)OC,0.378051257039939
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.6121478847975721
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.800904869542977
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.6490454092371698
+Nc1ccc(cc1)N.Cl.Cl,0.6912393462640408
+CCCCCCCCCCO,0.04185153911927987
+CC(=O)/C=C\c1ccccc1,0.21505284964882393
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.034325597431466424
+CCSCCSP(=S)(OC)OC,0.25977253503691955
+C=CS(=O)(=O)C,0.31377583290862104
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.7006018799393139
+ONc1c(C)cccc1C,0.5187403957823645
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.014476663520196024
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.0374563970193904
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.13199519367935808
+ClCCN(c1cnc(nc1O)O)CCCl,0.42372216337574004
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9167270757799768
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.5438088911810653
+CNC(=O)ON,0.72024281650041
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.6144119798474532
+CC(CC1NC(=O)CNC1=O)C,0.07063040998022288
+Oc1ccc2c(c1)cccc2O,0.42667733250306134
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.057148375026635494
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.40440806266173657
+CCNc1nc(NCC)nc(n1)Cl,0.05459990902417261
+S=C(Nc1ccccc1)Nc1ccccc1,0.3800812851007372
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.06978316624497911
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.06369310599736525
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.9138045352255729
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9909552078207889
+O=Nc1c(O)ccc2c1cccc2,0.4613382125176995
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.8108124222174393
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.2600753085167679
+OC(=O)O,0.15627538534185523
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.3271989163311364
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.013886433373324531
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.9786712123243533
+NC[C@H](N)C,0.18606474215083244
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.12214893298167782
+OCCc1ccccc1,0.33919353191002893
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.24954038047270036
+O=c1[nH][nH]c(=O)c2c1cccc2,0.1351494664068025
+CCNCC,0.21665840988483426
+OCc1ccc(cc1)O,0.09355806242609273
+Clc1cccc2c1cc1ccccc1c2,0.7595800656240208
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.2600166875256499
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.021859835548146588
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.5645214777687416
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.7019554183094392
+Cc1ccc(cc1NCC)O,0.15343552125861537
+BrCC(c1ccccc1)Br,0.7666618914538949
+c1ccc2c(c1)[nH]nn2,0.13082685294584348
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.19459266662803637
+[O-][N+](=O)CC,0.6104310077965907
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.0519749630375186
+N[C@H](C(=O)NCC(=O)O)CS,0.6654124790936168
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.9875400806041575
+Nc1ccc(cc1)Br,0.37756356943028185
+ONc1ncnc2c1ncn2C,0.9817269860151706
+NC(C(=O)O)CS/C=C/Cl,0.3030844014785574
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.054232846584578276
+CNP(=O)(N(C)C)N(C)C,0.1412778504510986
+[O-][N+](=O)NC(=N)NC,0.30402867618912355
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.08531806076705525
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9704473530613569
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.2990162715859138
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.04349567445620015
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7686751893702756
+CCc1ccc(nc1)C,0.09360410397808479
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.07822746655470182
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.12630903196485532
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.11435694852015883
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.07355281273464491
+Cc1cncc(n1)C,0.09211994540470904
+O=CN(c1cccc(c1)Cl)O,0.2941811626329537
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.5115109060833635
+CCOC(C(=O)C(O)O)C,0.3244310724610069
+Cc1ccc(c2c1cccc2)C,0.5402782975565562
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.8984448076106386
+c1ccc(cc1)/C=C/c1ccccc1,0.6016505427915853
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9937586295483735
+Cc1ccc(cc1)Br,0.08434356932582925
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],0.10394348624968554
+Nc1ccc2c(c1)cccc2,0.8775819906722305
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.03747101034683884
+CC1(OC1)c1ccc(cc1)Cl,0.5997098557425437
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.969101974938805
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9902415743706922
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.7927019556764406
+ClC[C@H](O[C@@H](CCl)C)C,0.9016395256516777
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.07221954808328879
+CC(CCOC(=O)CC(C)C)C,0.0809565087472565
+c1cnc2c(c1)CCC1C2O1,0.24553229039864763
+ClCC=C,0.6762766624940362
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.9955611694723661
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.002525492794378752
+ClC(=C)C#N,0.26991069949464536
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.010260984885150128
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.22875974086068662
+CC(=C)C(Cl)C,0.273859878435847
+Oc1nc2c(o1)cccc2,0.2230654896746359
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5187449550651109
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.03470451885837865
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.3557111604256181
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.27638496478421815
+[O-][N+](=O)c1ccccc1C,0.6804982707202463
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.8913727266340344
+NCCCNCCCCN(N(N=O)O)CCCN,0.6226946352242514
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.06861012845369333
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9929563789044505
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9613058315623872
+OC(=O)CCCC[C@H]1SSCC1,0.044929038837442696
+NS(=O)(=O)c1ncn[nH]1,0.07614182850036129
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.26890943001862244
+CCOCC=O,0.14530775830307918
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.04168207895398144
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.37531421323045255
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.04052084500041476
+C[C@H](C(=O)NCC(=O)O)S,0.17049209295769954
+COc1nncc2c1nccc2,0.22932037564710428
+O1CCOCCOCCOCCOCCOCC1,0.3767437618735282
+COC(=O)C(CSCCCl)N,0.939439944494012
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.05797497683336262
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9593458422464375
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.032531905113847494
+CCCCCCCCCCCCCCCCCCCC,0.06075146379497584
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.9690219157557365
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.8615815917917587
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7615096574874463
+ONc1[nH]cnc2-c1ncn2,0.920876182880378
+CNP(=S)(N1CC1)N1CC1,0.24699070846214266
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.2673581549315934
+Nc1scc(n1)c1ccccc1,0.6073625799251883
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,0.9229366599698761
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9820534896690237
+CN.Cl,0.22906369781361577
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0.0010051385752137556
+OCCI,0.33702461745098217
+CCNc1snc2c1cccc2,0.08915860453447995
+CCCCCCCCCCCCCC=C,0.073243644301206
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.23917507191141132
+COc1ccc(cc1)C=O,0.2296872611446784
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.957695933286825
+N#Cc1cccc(c1)[N+](=O)[O-],0.7494763325091875
+CC/C=C\C#N,0.2053205590412419
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.7091495096531638
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.003136352326652736
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8970316000902419
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9626857030964729
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.2799966516532928
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9801462357535836
+CCc1ccnc2c1cccc2,0.1848393025392721
+OC/C=C/c1ccccc1,0.6254162613427333
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.010816866828299628
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.8493657012323199
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.12419609240086735
+O=Nc1ccc(cc1)O,0.7914553845329086
+O=CC(=O)C,0.6073383309143917
+Clc1ccccc1S(=O)(=O)N,0.013870457431682626
+O=NN(Cc1cccc(c1)C)C,0.7489344637755153
+CSCCC=O,0.25543115581260845
+COCC=O,0.19387436094005348
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9851295032009904
+Clc1nncc2c1cccc2,0.3519627021699275
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.6806409057776414
+OCCNc1ccc(c(c1)O)C,0.49279659233130324
+CC(c1ccccc1)C,0.11429144077543542
+BrCC(=O)Nc1ccc(cc1)C,0.2730663123372076
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.9291346964309224
+O=Cc1ccc(o1)[N+](=O)[O-],0.9985340226167632
+ONc1ncnc2c1ncn2Cc1ccccc1,0.9848466524637809
+C1CCC2(CC1)CO2,0.3311097324068515
+Fc1ccc2c(c1F)nccc2,0.7281665067387441
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5404078274124122
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6042102285176285
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.06123481347116505
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.09418349476720353
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.914110829381696
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9319529804664057
+O=C1c2ccccc2C(=O)c2c1cccc2,0.5054036185737242
+CCCCOC(=O)c1ccccc1N,0.03737295076766222
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.02583289080327061
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.5851054860720368
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,0.008977927664296967
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.5669354242439819
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.9558268080145803
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.026161380625129186
+OCCCCl,0.33392527601516636
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.07366077716708855
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.3852364424159988
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,0.04628017971956896
+Oc1ccc(c(c1Cl)Cl)Cl,0.06381099566272773
+COc1cc(C=O)c(cc1OC)OC,0.2448204428202315
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.00112265218114451
+ClC(=O)c1ccccc1F,0.9235767437382748
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.4758695007911252
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9816474908991214
+BrCC(=O)c1ccc(cc1)Br,0.15368203849468645
+CNc1ccc2c(c1C)ncc(n2)C,0.8550040442889981
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.10631413565754878
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.9767922912861692
+COc1nsc2c1cccc2OCC1CO1,0.9867550020350094
+ONS(=O)(=O)c1cccc2c1nccc2,0.19561358160601647
+Clc1cccc(n1)Cl,0.20901678057430687
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.8429798896775645
+CSCCC(C(=O)O)N,0.14994086438418106
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.2172752695163725
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9908777494560204
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9522232553408453
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7131139000680674
+C[C@H]1CCOS(=O)(=O)O1,0.7788553203217299
+C[C@H]([C@@H](CCl)Br)Br,0.8735100734354019
+OC1CC(C)(C)N(C(C1)(C)C)O,0.27382282638372674
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.45011343640171103
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.9766246939436399
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8224847411837101
+CNC(=O)Oc1ccccc1,0.5771137445328967
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.986605978952212
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.022065579409360728
+OC[C@@H](CI)O,0.25712876813304036
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.7594494441804643
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.9125007777113268
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.8130718341994748
+Cc1cnccn1,0.05191103028792779
+O=C(C(Br)(C)C)Nc1ccccc1,0.15762311249773892
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.06820500696471937
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.9041442691713634
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.8805584818879411
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.26696678285845393
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.9687542863805468
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.79889923600527
+Nc1ccc(cc1)Cl.Cl,0.4647418436883557
+O=Nc1ccc(cc1)Sc1ccccc1,0.9288406177895168
+CC1(C)C2CCC3(C1C2)CO3,0.08828307568556198
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.922990074471033
+CC(C=O)CC,0.12326144586033454
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.05968327510321817
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.008218721055577001
+O=c1oc2c([nH]1)cccc2,0.2606370651136011
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.9301265562945638
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6214947199071758
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.9384275133186972
+Clc1cccc(c1)C(F)(F)F,0.040764479136210084
+[Cu].[Cu].O,0.26559922466515024
+Nc1nc2c(n1C)ccc1c2nccc1,0.9501288859247178
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.5124016634357929
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.9888270336243661
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.9907851363615442
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.22366594912328397
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.010686128172862498
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.9709847844508647
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9195345059281864
+C/C=N/N(C=O)C,0.5608459613595951
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.7869997305037286
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.0043283490379021645
+Cc1ccccc1S(=O)(=O)N,0.10090115439018067
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.008630550644561462
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9493412745752507
+Nc1ccc(cc1)Oc1ccccc1,0.8281143480394854
+CC(=O)OCC=C,0.12604765794844044
+CCCC[C@H](COC(=O)C=C)CC,0.028216548619350766
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.0965326375869336
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.33519301598545265
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.030660323948255495
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.11538141733178613
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.27638496478421815
+COC(=O)c1ccco1,0.14565109921889394
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9272915046092647
+Clc1c2ccccc2cc2c1cccc2,0.6947692980990999
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.6913853050797927
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.10688458982851323
+Nc1n[nH]cn1,0.5561303526520357
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.6560581212460029
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.08279776606523785
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.7774518136078071
+CNC(=O)N(c1ccccc1)c1ccccc1,0.4016235477990299
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.30003203293962055
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.8020518068948116
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.9095744315253437
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,0.04263242853307442
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.905604536437567
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.001902197277004604
+Nc1cccc2c1nc1cccc(c1n2)N,0.7927168373477148
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.45600403288603575
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9554553053010353
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.00955001934058821
+O=NN(c1ccccn1)C,0.2975076488239969
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.9203094274839108
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.16076624908595946
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.0010743681014240532
+C/C=C(/C=O)\Cl,0.9062315121547823
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.8035339565910958
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.7356478157238632
+OCCCN=N,0.48757118281202294
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.871718539744176
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.006861611275571958
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.13065490836073357
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.6081193774317452
+c1ccc2c(c1)[nH]cc2,0.5931019800659141
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.6905969031425017
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.26498408650580974
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.10881331511724845
+COP(=O)(OC)OC,0.1689704676770005
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8668759375043088
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.8563682761480165
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.695598448282597
+Clc1cccc(c1)[N+](=O)[O-],0.8030534778135862
+O=C(Nc1ccccc1C)CC(=O)C,0.02635789392190086
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6008429411402867
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.38730455519331136
+N#C/C(=C\c1ccco1)/C(=O)OC,0.08648530113991056
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9724598703534424
+Clc1nnc(c2c1cccc2)Cl,0.28444364190925925
+CCOc1ccc(cc1N)NC(=O)C,0.8527068827204828
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9732208406894991
+NCCN,0.4582770433487794
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.017955745131078688
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.1140043129142778
+CCCCCc1cc(O)cc(c1)O,0.028376473269335265
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.4200644805136694
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9714130039620436
+NC(=O)CN1C[C@@H](CC1=O)O,0.1196626105338738
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.031999492089483036
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.08698004814845416
+c1cnc2c(c1)ccc1c2cccn1,0.7795013457080712
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.14040766927014794
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.015043944754921369
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.6886942588890634
+O=NN(C(=O)O/N=C(\SC)/C)C,0.8028702541656766
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.5613864570842345
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.03588614604629583
+CCNc1cccc(c1)O,0.2569428481243709
+ClC[C@H]1CO1,0.9797627198469325
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9552798920099392
+O=NN1CCC=CC1,0.8809475778875105
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.8988933307725988
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.2627950132213213
+CCc1ccc(cc1)C,0.1314667938411053
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.4887245479466036
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.704521007885477
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.3532471463516185
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5996201266247337
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.5367158543135049
+ClCC(CCl)(CCl)CCl,0.5401450756654569
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9352188060350641
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.22761146057920398
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.05049059244293553
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9865688209878697
+CCCCCCCCCCCCC=C,0.073243644301206
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.8298065751913334
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.6063411641424191
+CCCON=O,0.8283103318040993
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9796795627720564
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9055702352314634
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.6878452362414493
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.5784631629662178
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.02153246467266272
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7491263869319108
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.054435998550701685
+N[C@H](C(=O)O)CSCCCl,0.8835765928432456
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.0025505272808686707
+SCCc1cnccn1,0.13728513507843884
+NCCCCCCN,0.12519763733444525
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.0843719477741006
+CC(=O)N,0.42736065917912824
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.04434107549358245
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9979333041311819
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9766994549130394
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.9681069699107049
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.9100450898904984
+CN(c1ccc(cc1)N)C,0.7966771856472011
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.3191679217791388
+CCCCCCCCCCCCCO,0.04185153911927987
+OCc1ccc(cc1)OC,0.2690576092352036
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.7345616653969683
+COc1ccc(c(c1)C)N,0.871260591284422
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.27948417754517085
+BrCC(Br)(Br)Br,0.7246562926548522
+Nc1cccc(c1)C(F)(F)F,0.13304559830625506
+NC(C(=O)O)CN=N#N,0.9642327709607198
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.8530868988049137
+NC(=O)c1ccccc1C(=O)N,0.2539358840210798
+O=NN(c1cccnc1)C,0.7420945619365265
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9560471500464048
+O[C@H]1C=CC=C[C@@H]1O,0.5677859363161346
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.23723254598471805
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.13743400656857105
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.8795955423295752
+CC(=[N+]([O-])[O-])C,0.4506696339002311
+Nc1ccc2c(c1)c(Cl)ns2,0.7888006921537088
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.14465506013883023
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9872480432163968
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.059366535926903274
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.9457462521736174
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.33973539831667615
+BrCCC(Br)Br,0.7963929680572581
+NCCNc1cccc2c1cccc2,0.9285055885693592
+CCCCOC(=O)CCC,0.032436229059148815
+Cc1ccc2c(c1)cccn2,0.6073180716965735
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6657466015536546
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.04610872639109476
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.9866624417810539
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.6466118251926118
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3074720837381085
+Oc1cccc2c1OC(C2)(C)C,0.0905180124499405
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.5970476141482072
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.5341444286351901
+COc1cc(/C=C/C(=O)O)ccc1O,0.09771094824303207
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.0007598766483842699
+Nc1[nH]ccc2-c1c1ccccc1n2,0.7579095614949538
+ClCl,0.31377583290862104
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.1498117139273431
+Sc1ncc(c(n1)O)C,0.04787040975832933
+CCOC(=O)CC(O)C,0.08921034710284766
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.8604001935813793
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.9533874722601942
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.9927103028357204
+NCC(C)C,0.28986030672782
+C=C[C@H]1CCC=CC1,0.18830068010645168
+[O-][n+]1cccc2c1C=CC1C2O1,0.37488375239502564
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9471811243513267
+CCN(c1cccc(c1)O)CC,0.23996663952412092
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9013147015561156
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.982227346721069
+CCOP(=O)(N(C)C)C#N,0.12116610061990149
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.035096449225650944
+C/C(=C/C)/C#N,0.12660149710775767
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.22258747830357437
+CCCCC/C=C\C=C/C=O,0.8079558503552148
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.013530354550863323
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.01608347216535623
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9370979381936986
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.08588866297785244
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.46757106113238905
+OCCn1c(C)ncc1[N+](=O)[O-],0.9226187167083619
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.8908678105312751
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9379494190304994
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.05203193853754458
+OCc1ccc(cc1)[N+](=O)[O-],0.6896350879507794
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.27164389966103264
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.701408007859006
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.014749225894774965
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9855944404334209
+CN=C=S,0.4125953321554925
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.8412136708106164
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.3714989564017436
+CCC(C)C,0.06056031213618678
+NNc1ccccc1.Cl,0.6191130321226556
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.9713765667395273
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7255899718941056
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.957643387826693
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9933101244338072
+O1C2C1C1N=NC2C2C1O2,0.627428487043814
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.9227475508185407
+CCOC(=O)C(CS)N,0.6170112531194645
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9069637722979685
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9944524220255092
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.8042520956416567
+O1CCN(CC1)SSN1CCOCC1,0.13958775468662513
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9795939223175226
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.0781883754895805
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.02585289988814815
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.08767892201511533
+CCOC(=O)CNC(=O)C(Br)C,0.7119261098824121
+CNc1ccc2c(c1N)nc(cn2)C,0.7550307939801881
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.7608855349668481
+C[C@H](CCl)O,0.4914521847380443
+C[n+]1c2ccccc2cc2c1cccc2N,0.9852872436489376
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.05689423781352078
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.8886038100418823
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9968210869691388
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.8501600078834876
+OCC(Cc1ccccc1)CN=N#N,0.8785971744931724
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.6304472205396886
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.8564237870779368
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.8910571190334814
+S=P(N1CC1)(N1CC1)N1CC1,0.31377583290862104
+Nc1nc(nc(n1)O)NC(C)(C)C,0.017970310696774308
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.276704262377895
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.00253882885285915
+OCCN(CC(=O)O)N=O,0.6252795412242277
+CCCBr,0.6850528970643736
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.983790163726376
+NNc1nncc2c1ccnc2,0.7703380575664789
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.01228567535536942
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.08685483504701277
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.23752047131972603
+COC(=O)c1ccccc1,0.1079268398283212
+COC(=O)CC(=O)C,0.05196398732680408
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8112303405798883
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.006187294420402022
+Br[C@H](CBr)COC(=O)C=C,0.7822976356768687
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.48666583434149335
+Fc1cccc(n1)F,0.3356391855342279
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.9850839567873734
+CCCCN(CCCC)N,0.22921828044094586
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.13103885283168457
+CC(c1ccc(nc1)C(F)(F)F)O,0.025877636521169534
+C=CC(=O)OC[C@H]1CO1,0.9552493782124677
+Nc1ccc2c(n1)n1ccccc1n2,0.9390952652171515
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.965382834134088
+ONc1ccc(c(c1)C)C,0.7941838908154254
+BrC(=C)C(=O)C,0.3979557485257838
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.2565408217418955
+Nc1ccccc1C(F)(F)F,0.43546091147262195
+NNc1ccc(cc1)[N+](=O)[O-],0.9124136850618036
+CNCCO,0.17504721347561192
+NCCCCC(C(=O)O)N,0.0916417148535162
+C=CC(=C)C,0.37982895145908513
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.958736091091304
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8657090457283557
+O=c1ccc2c(o1)c1ccoc1cc2,0.21644090045049327
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8375628694629038
+NCCc1cc(O)c(cc1O)O,0.3586939419190975
+Nc1ccc(c(c1)Cl)Cl,0.6426274527502958
+OC(=O)CCC(=O)O,0.09419430921702573
+Cc1cccc(c1)N.Cl,0.42491466803501055
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9745906091110076
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.3713959190520232
+CC([N+](=O)[O-])C,0.25202482775076757
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.0077837795558508525
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.6116133301884852
+NN(c1ccccc1)c1ccccc1,0.675323891152162
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.06968056665480903
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.028709320693045062
+OS(=O)(=O)c1cccc2c1nccc2,0.20719599904005398
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.35090117140966565
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9174835440148607
+CC(COC(=O)c1ccccc1N)C,0.10769166245078067
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.15591179918456216
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.003765215975335041
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.015509235688658349
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.6908309957767501
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.9031104776966153
+CN(C(=O)NC)N=O,0.918429710674394
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.08570127523919
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.7117943733849516
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.8073963156532709
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9990309862360932
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9972259060320967
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8634882941192271
+CON,0.31377583290862104
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.8439711778901552
+Oc1ccccc1c1ccccc1O,0.4713598776387135
+Nc1nc(N)c2c(n1)nc[nH]2,0.24514589268954706
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9232213182207556
+Oc1ncc(c(n1)O)F,0.03578954516490837
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9769635341660571
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.0007224834308646656
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.5817816385245262
+O=NN1CCCCCCCCCCCC1,0.9791602642140568
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.06797686990213822
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.8573738375989476
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.08514902370588102
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.056150859777614845
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.030439299759256442
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.45901774683529006
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8790505832791525
+C/C(=C\C)/CCl,0.6190518973818973
+C[Si](N=N#N)(C)C,0.6809165346978117
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.013736527090580479
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.10882460295094158
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.6580876654525415
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.254357891330846
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.06882118185875859
+Cc1ccc2c(c1)ccc1c2cccc1,0.7131139000680674
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.8795955423295752
+C[n+]1c2ccccc2cc2c1cccc2,0.9028642611456552
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.279085875062882
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.7893949742287073
+NC(=O)/N=N/C(=O)N,0.41155981216896703
+C=CCOC[C@H]1CO1,0.8317179476761353
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9692976750660834
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.0036752422789053615
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.01903359535106542
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.3174953321407831
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.9891188681231866
+ClOCl.[Cu+2],0.29563055076837474
+OCC(CO)O,0.22633559754088547
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.18790913973821288
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.3342613685053782
+OCC=C,0.445679045077414
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.2299381409728042
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.9020740585791933
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.36046572979149333
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.6311759595080804
+O=CCC=O,0.30563892539446513
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.0867748470815545
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.01846498052887409
+Nc1sc2c(n1)c(Cl)ccc2,0.46940658040972105
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9801877958273336
+C[C@@]1(CO1)C=C,0.45908756092861003
+OC(=O)Cc1ccc(cc1)N,0.25242034974575406
+CCN(C(=O)N(C)C)N=O,0.958857191502679
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.30975339819734043
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.8390880467938386
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.005996402492942236
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.011989172011545885
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.06345769169123343
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.024911784191479477
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.7264419996399105
+C/C=C\C=C/C=O,0.8117123251009124
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.2647461493149804
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.10957134009718042
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.24191602981472785
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.04688502588404769
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9788820399815787
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7517175645759381
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.056797178037055564
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.9388505289412625
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.028076825930409482
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.16899678052104816
+C=O,0.33261683905634387
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.8664951523191822
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.04711343717582001
+CCN/N=N/CC,0.8166541371662672
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9916745196495316
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9808040308371907
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.03837359981836064
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8923275758647957
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.96885086809134
+C=CC1CC2CC1C=C2,0.05307953579539255
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.005885524651773587
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.6436128238582596
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.19389963675758734
+FC(c1ccccc1)(F)F,0.07227186060162548
+OC(CO)CN=N#N,0.9746858293001486
+BrC(C(=O)O)Br,0.16665825648173752
+Br/C=C/Br,0.36133461088240465
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.10187684874798562
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.16541230916183497
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.16987789364843311
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.24143101750551094
+Cc1ccc(cc1)N(C)C,0.44872805949587224
+Cn1nc(c(c1)C(=O)O)C(F)F,0.034724172140767166
+Nc1cccc2c1nc1ccccc1n2,0.7755330039640236
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9854269487155506
+COc1cc(OC)[nH]c(=O)n1,0.060857765098848084
+CCCC[C@H](COS(=O)(=O)O)CC,0.17301942296319556
+CCCCCCCC/C=C\CCCCCCCCN,0.0477206088045691
+OS(=O)(=O)c1ccccc1,0.04441772034955756
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.32022362061860227
+CCC/C=C(\C=O)/CC,0.24138494990070947
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.19595459314159058
+C[C@H](CBr)O,0.7107737756656125
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.00395474199735153
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.053105257631294464
+O=NN1CCN(CC1)N=O,0.9546282029853528
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.37908634246688083
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.920659476238661
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9872978803173478
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.6237379403960113
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9297806607935714
+FS(=O)(=O)F,0.33261683905634387
+C1OC(=O)C=C1,0.1711807271306637
+O=C1C=CC(=O)C(=C1)C,0.12250070973873659
+ONc1ccc(cc1)Sc1ccccc1,0.8888636439579326
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.9668482357995506
+COc1ccc(cc1)C(C=C)O,0.20662073420431912
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.020316627145359072
+CC(=O)Nc1cccc2c1ncc(c2)F,0.2598846531044086
+CC(OC(=O)Cc1ccccc1)C,0.11378553386330588
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9751215681392588
+COCCOC,0.43922979005582075
+[O-][N+](=O)c1ccc(c(c1)C)C,0.6916209165198289
+Oc1ccc(nn1)O,0.08129191673744711
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.5836653071406245
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.9735173716225409
+O=C1C=C(N)c2c(C1=O)cccc2,0.5004801421467048
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.529828221739663
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.50003706177679
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.28270151496938384
+Nc1ccc2c(c1)nc(c(n2)C)C,0.8588487161251246
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.6980787950296381
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.22540820768992004
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.8669963604665495
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.002686704179227147
+Clc1ccc(c(c1)Cc1ccccc1)O,0.09879370832056147
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.200986589472881
+ClCc1ccccc1CCl,0.3657835132569057
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.02343283154543891
+O=C(C(Br)C)NC(C)(C)C,0.8775772350317725
+COP1(=S)OCc2c(O1)cccc2,0.7692973403863986
+CCOC(=O)CC(=O)CCl,0.26723956717267167
+C=CC(=O)OCCCCCOC(=O)C=C,0.0284232145194447
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9047548082733515
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.11207855366196738
+CNCCS(=O)(=O)O,0.09632459949344103
+Nc1ccc(cc1)S(=O)(=O)N,0.2238953725623448
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.9102144908259487
+[O-]S(=O)(=O)[O-].[Fe+2],0.33517247977422787
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.8795099439526326
+CCOC(=O)CBr,0.32141310699413805
+ClCCCCN(COC(=O)C)N=O,0.9947524471094691
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.9545893163656174
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9844954509197624
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8948296885448452
+O=C1C=CC(=N#N)C=C1,0.460306821864327
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.8853856124553359
+O=C(C(=O)O)C(=O)O,0.1286658081853703
+Cc1cnc(c(n1)C)C,0.30795220432193177
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.00803740726118393
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9638498182750377
+CC/C=C/1\OC(=O)c2c1cccc2,0.23679703237425143
+Oc1cc(O)cc(c1)O,0.2407465738069773
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5424888836825803
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.044962676997377105
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.16240103056485097
+CC(Cl)C,0.6175619355925993
+CCCCCCCCCCCCCCCCCCN,0.04875237076099817
+N#CC(Cl)(Cl)Cl,0.17435650502232145
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.9445399402056958
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.935283399311042
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.03213946570537799
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.14983623629625586
+CC1CCc2c(C1)occ2C,0.2324007570531233
+O=C1CCC(=O)O1,0.1624307203430982
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.03888227940594279
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.5820910950848609
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9699964448253399
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.049825888365998924
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.02519401038393728
+CCOP(=O)(SC(CC)C)SC(CC)C,0.06738342610489419
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.08998141019806376
+Clc1ccc(c(c1)C(=O)O)O,0.07652330783942579
+CCCCOCCOCCSC#N,0.05464570480969819
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.020469312461721675
+NC1CCCCC1,0.06728486489149367
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9893477243982146
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.30964237657685356
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.023529624852201426
+CCCCCCCCCCCl,0.13194806378214272
+O=c1nc[nH]c2c1cccc2,0.18494395750072953
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.8852803920503934
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9820387124144809
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9982105895403169
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9275328571859711
+OC(=O)c1sccc1S(=O)(=O)N,0.018748438990657153
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9779482242961182
+NC(=O)Nc1ccc(cc1)Br,0.08552984338078475
+O=Cc1ccc(c(c1)Cl)Cl,0.06919929689387673
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.8263190555978887
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.061015428590793355
+CNc1ccc2c(c1N)cccn2,0.9191101335229966
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9922968736697145
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.24859875273986626
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.01029320229118013
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7926257748228095
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9039990313089836
+COC(=O)C1=C(CC)C(OC1=O)C,0.3238155784697928
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8634887793992116
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.2819607780319908
+COC(=O)c1ccc(cc1)C(=O)OC,0.12304299504355386
+OC(=O)CCCc1c[nH]c2c1cccc2,0.11327967742726856
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.006869883719840501
+Cc1c(N)ccc(c1C)N,0.7434304987398879
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.9692207074475752
+CCN1CCN=N1,0.758119319880218
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.0677926437491156
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.9599946771893977
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.9064127246807023
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6947508252599277
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.95450283925861
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.8700459288314162
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.21417940910933345
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9635791280029616
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.9928508285726327
+NCCS(=O)(=O)O,0.16746062560345454
+Nc1ccc2c(c1)c1ccccc1cc2,0.9639414698967812
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.601222425883471
+CCOc1cccc(c1)N,0.5820629053797333
+O=NN(c1ccccc1)C,0.4756239195794885
+OOC(C)(C)C,0.8752320763325435
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.9739149051395231
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.5388405076555686
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6916386308747707
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.06003658621347288
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.7841638699011542
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.004634083869975145
+CCCCCCCCCCCC(=O)NCCO,0.05834888234491058
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.7413117197781602
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5114778599188678
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.4605110912308596
+[N-]=[N+]=NCCC(C(=O)O)N,0.91138948004695
+ClCCOC/C(=C\Cl)/Cl,0.9322662377477671
+BrCC(=O)NCc1ccccc1,0.5493910960923893
+SC(=N/C=C/N=C(S)S)S,0.33261683905634387
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9712750461925554
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.993958142471919
+Cn1c(N)nc2c1cc1ccncc1n2,0.20271229096355314
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.8640141835044218
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.5348227736221629
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.6897623829668372
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9883962887374256
+OCCOCCOCC,0.09187897973577426
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.034711675689139465
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.08786038690272589
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.03192104404969481
+ClCCN(C)C,0.7148960512076868
+BrC[C@H](c1ccccc1)Br,0.7054715449940387
+Nc1ccc2c(c1)scn2,0.8015082662842234
+CC(C(=O)O)N,0.291515699671156
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.5274028953109813
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8975738862592997
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.015947442602849766
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.06904157525657399
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9544393564412256
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5621907573848307
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.3693626845893305
+CC(=O)C1(CCNCC1)c1ccccc1,0.16291679962843525
+ONc1nc(N)nc2c1[nH]cn2,0.8863950888982118
+COC(=O)c1ccccc1CS(=O)(=O)N,0.12744995243203594
+CC1CCN(CC1)N=O,0.9879120412401858
+Oc1ccc(c(c1)O)C(=O)O,0.09231829262312266
+[N-]=[N+]=NCCc1ccccc1,0.8455668854187869
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.011532178873155803
+S(Cc1ccccc1)Cc1ccccc1,0.18597054631584503
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.8618015743240239
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.15079347027755932
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.9309664282275303
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.6144740658087904
+NC(=O)C[C@H]1CO1,0.9029074790271421
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6250469534755596
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.8800155457108928
+c1ccc(cc1)N=Nc1ccccc1,0.5869650444401651
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.7878185385474913
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8838969747161126
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.007951801853033737
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.014736282693843488
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.07912527486552909
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9112024392195027
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.9411106055113923
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.9794263840101517
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.10696542275851721
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.06421956012510116
+COc1ccccc1N,0.8844512629188499
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.4583009333171077
+CCCCCCCCCCCCCCCCCC(=O)O,0.01714999869958574
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.7088667811351766
+c1ccc(cc1)/N=N/c1ccccc1,0.5869650444401651
+OCNC(=O)CCl,0.6677462182939531
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9812174045020842
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.0299466201930406
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.9721313126474805
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7028718063171535
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.8801097150148159
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.5373773164135707
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9934364822406693
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.0456597906645953
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.3705351495036052
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9973321214594674
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.991636457603989
+OP(O)O,0.31810549854559944
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9817837061990484
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.015286214665836415
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.03316235887152138
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.03708599702870853
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.040254063750280615
+N=C(Nc1ccccc1)Nc1ccccc1,0.5226602887436399
+OC(=O)c1ccccc1C,0.07221494544614801
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.9243765149376966
+C1CCC2C(C1)c1ccccc1CC2,0.050635916879644444
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.13199317689754955
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.7022347816003514
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8756312213141975
+Clc1cccc(c1)NC(=O)N(C)C,0.14197620510523656
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.8681420416822897
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.79603597173126
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.31195766842244294
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.08145113375429883
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.18012831402680707
+O=Cc1ccccc1Cl,0.1509838876441011
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.874175283463582
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.1053949012920776
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.996104879909494
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8871434316757808
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.7340639474074604
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9965864047697465
+CCNC(=S)NCC,0.3050013999655293
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.08818987077257963
+OC(=O)C1(N)CCCC1,0.06976109706151065
+Clc1ccc(cc1)CC[C@@H]1OC1,0.7196536949667491
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.010169925829517118
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.17138652234727084
+CCc1ccc(nc1)C(F)(F)F,0.032504036359345824
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.04633580240815705
+CCC(OS(=O)(=O)C)C,0.8723514934250847
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.12870381914291104
+CC(C(=O)Nc1ccccc1)Br,0.8252631323046494
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.9299156603351227
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.6960902385352802
+CC1CCCO1,0.5714123626040074
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.2876260053108594
+Nc1c2CCCCc2nc2c1cccc2,0.9373684135700101
+CC(CC(=O)C)C,0.05285358985914856
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.021472929332765223
+OC(=O)CCc1ccccc1,0.05968543912994077
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.008168411827925442
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.8290035163302835
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.07159851256975115
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.9176598797113578
+CCCCCCCCn1sccc1=O,0.10148251293888692
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.4715795125468213
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.22113499324021965
+BrC[C@H](Br)C,0.9238461003511856
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.2889377802168903
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9696515282108853
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9915661855173832
+OC(=O)CCc1c[nH]c2c1cccc2,0.05338075244164112
+CCN(c1ccc(cc1)[N+]#N)CC,0.858942883116663
+COc1cc(ccc1O)C[C@H]1CO1,0.9665900256747455
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.8348813063236049
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.029967060648214475
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.9259854538736225
+COc1cc(F)ccc1[N+](=O)[O-],0.7783669228031469
+OC(=O)COc1ccc(cc1Cl)Cl,0.02648405295574375
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.09092360397542608
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.7998860876279383
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.08925998785639043
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.9087123331384316
+Oc1ccccc1O,0.33818554768822867
+ClC(=O)c1ccccc1Cl,0.860385451131702
+BrC[C@H]1CO1,0.9953201174285601
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0.026163473257933587
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9923008940554314
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.10873187305892493
+O=NN(C(=O)N)C[Si](C)(C)C,0.9215552572932024
+Oc1cccc2c1cccc2,0.46286348662294696
+COc1nsc2c1cccc2OC[C@H]1CO1,0.9849062266728941
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.9692641851579972
+Clc1ccc(cc1)C(=O)Cl,0.800742650205902
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.0028316682747577173
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.7503372844644639
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.9034502281546095
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.9513069938461742
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.03549286468078961
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.883513632763643
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.8224845445407025
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.005238998894625257
+O=Cc1ccc2-c1cocc2COC(=O)C,0.7579815321349826
+CSCNc1ccccc1C(=O)C,0.38397407109843673
+CC1(OC1)c1ccc(cc1)Br,0.6337181690248559
+N=c1nc[nH][nH]1,0.17876979013054492
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6430262418666057
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.721431998955221
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9790450993812143
+Cc1c2ccccc2c(c2c1cccc2)C,0.6774352359566982
+CCCCCCCCCCCCCCCCCC(=O)N,0.044868326392802874
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.19832537517047197
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.002383674794137006
+CCC(=O)O,0.1079287103112151
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.15354378255599058
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9974053227691272
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.8748049755934899
+O=CNc1ccccc1,0.7678832546963396
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.35805233787291135
+O=C1NOCC1(C)C,0.3962388266622356
+O=c1cc(n(n1c1ccccc1)C)C,0.21587275478231438
+O=C/C=C\c1ccco1,0.3116889673018951
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5442926396599914
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.9214965286535459
+NC(C(=O)O)CSCCCl,0.8673809846128685
+COC(=O)C(=C)C#N,0.09560377729289331
+C/C(=N\O)/C(=O)C,0.2900505316326865
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9886855855100641
+ONc1ccccc1C,0.7863271906704455
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.6790270482115383
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.764380498574149
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.03472260673060041
+OCc1cccc(c1)[N+](=O)[O-],0.40981995607669214
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,0.05967867907394355
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.03367318575277589
+COc1ccc(cc1N)N,0.9770116726759643
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.16003142803448456
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9877087388037694
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.2237096264832912
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.8556765955540668
+OCCNC(=O)N(CCCl)N=O,0.9949216319321863
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.46949549047125566
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.988607361168451
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8945659151418373
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.8899505145427934
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7098229697801961
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.17096062650518418
+C1OCCO1,0.5765427057505917
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.324165637161104
+CCCCCCc1ccc(cc1O)O,0.033285464067298105
+Nc1ccc(c(c1)N)C,0.9585626447343805
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.9847694615350502
+Cc1cccc2c1cc1ccccc1c2,0.7606073542607874
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.05978208467055586
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.8491842486703589
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.7516449592984036
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.7702826103395057
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.5799887308761176
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.2749667916117693
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.44984799567030703
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.8619132662817669
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.14010971842075087
+CCN(C(=O)Cc1ccccc1)CC,0.12064041382353273
+S=c1scc(s1)c1ccccc1,0.3721071834515728
+COc1nncc2c1ccnc2,0.0953519003650814
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.013710266288273444
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.18208688904255715
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.5376372336482124
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.08928769018872153
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.008431796403361756
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.45233421159937987
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.8569959990498351
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9707900656486949
+ClC#N,0.33261683905634387
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.17973194982920235
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.11895143799119066
+CC=O,0.355966285908964
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9767887847742119
+Oc1cccc(c1)N(C)C,0.3602785082611691
+CC(C(=O)NCc1ccccc1)Br,0.959369907532612
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.7918437075410899
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.018044713147244276
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6293195607479448
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.42987727074800225
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.024545054725591254
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.21637005833050812
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.3581315304792266
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9128254810306392
+CCCCOC[C@H]1CO1,0.7504736567652667
+COc1ccc(cc1N)NOS(=O)(=O)O,0.91378034868055
+CCOCCOC(=O)C,0.2588899197476139
+Clc1ccc2c(c1)oc1c2cccc1,0.312115807657831
+ClCc1ccc(cc1)C(F)(F)F,0.14190008402743368
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9707900656486949
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.7197735519715912
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.06381152812794107
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.6083265794572056
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8013454076906861
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.04939588280915798
+O[C@@H](c1ccccc1)[C@H](N)C,0.031782744761576304
+O1CCOCCOCCOCCOCCOCCOCC1,0.3510016928148077
+c1ccc(cc1)Oc1ccccc1,0.49200931366890205
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.10108752453829388
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.9468309526907712
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.901418724052035
+N#CCc1cn(c2c1cccc2)N=O,0.556413114634955
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8709924018989981
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.007076667083025149
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5389077573117016
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.07619458213634801
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9251322720620337
+CC1=Nc2c(C1(C)C)cccc2,0.4949419679761726
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.1259581303334176
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.7052578897761987
+CC(N(C(C)C)N)C,0.4144108453127484
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.9649370839313194
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.5586445991344235
+COc1ccc(cc1)CCC1OC1,0.9222565793618339
+CCNC(=N)N([N+](=O)[O-])N=O,0.8758589749033527
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.03536313399926735
+ONc1ccc(cc1)N=Nc1ccccc1,0.9331761524780353
+C1CCC(CC1)NC1CCCCC1,0.1026530652451176
+ClC(=O)c1ccccc1C(=O)Cl,0.7641453050426805
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.0487015383369919
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.9396291364524576
+NC(=O)N=NC(=O)N,0.4306102245631588
+CCOc1ccccc1OCC1CNCCO1,0.2178412102362103
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9650406409209427
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.994533905150836
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.001553421386325921
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9684159116770494
+CCSCC[C@@H](C(=O)O)N,0.23760278116764638
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.8064683851797821
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.9815935434295273
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.6182278156309358
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9983279950938155
+COS(=O)(=O)C(F)(F)F,0.6871942591737733
+COc1ccc(cc1N)[N+](=O)[O-],0.9947022690341991
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.4306400599493647
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.38421067955263843
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.991814509153423
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.1745250382510271
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.9961822723490077
+CCN(C#N)N=O,0.7717333735743128
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.5595504180337968
+CCN(CCCC(=O)O)N=O,0.9567936897923293
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.8308099735987295
+OCCNC(=O)[C@H](O)C,0.4369322417068987
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.03920119386562046
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9775941674417319
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.053786275201910004
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.648208207520822
+OC(=O)CCC(=O)CC(=O)C,0.018349427519032794
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.8908836655401572
+O=C1CCCO1,0.1647819281535885
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9387670826106307
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9545763403284407
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3[N@@]4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.0003401369673247217
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.11400788531579956
+N#N=NCCC(c1ccccc1)c1ccccc1,0.9661926806589569
+C[C@H]1CO1,0.8584515102540213
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.10410025557958832
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.8842141646797449
+CCN=NC(OO)(C)C,0.9688061796851796
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.8593653246531108
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9957869532427922
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.6151023303940342
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.00010490159136842129
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.003946208794276267
+C=CCOC(=O)C=C,0.15029349407826376
+C/C=C/C=C/C=O,0.7866705557656039
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.9883481950088379
+O=Cc1ccccc1[N+](=O)[O-],0.6188209351995858
+OCCN(N=O)CCO,0.9679399656632282
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.6649750934149014
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.03132108734961308
+CNCC(=O)O,0.04792472418795763
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.01937867645168313
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.8866816921303465
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.6306660063863865
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9304440415147441
+OCC12OOC2(C)c2c(O1)cccc2,0.8650414850852266
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.9526861190420521
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.5821943632316318
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.1784879135037752
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9724180906278653
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.6845612103677808
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.581047966702012
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.780419346226654
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.041872943095176904
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.5676952944499408
+ClCC(=O)OC(C)C,0.2527993155321813
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9904320959348994
+[O-][N+](=O)NC(=N)NC,0.7999554822219752
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.264439934706904
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.9707900656486949
+ClC(=O)c1ccc(cc1)C,0.884178652901972
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.2800309104074146
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.0032677133832436423
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.31058720890192243
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.8834110120911572
+C=CCN=C=S,0.3014084971054983
+CCN=NO,0.8760816929867523
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.23485565155629878
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.3446525983589787
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9489159152881194
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.054715765140725355
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.009865219112525752
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.8812832206083507
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.006900706632330816
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.8494427624783373
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.5782382458791314
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9430407502303215
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9775131266723972
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.34559311712534996
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.8412107968146774
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.32919004417625286
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9806748951328609
+Clc1ccc(c(c1)C)O,0.12963050469451665
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.024932809138340038
+CCC(=O)NCc1ccccc1,0.6252985771399159
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.8643581340111575
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5303674060491322
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9844395433766944
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8452283943326973
+O=Nc1ccc2c(c1)cccc2,0.9450102723644922
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.16960627482580057
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.2507952311377612
+OCC(CO)(CO)CO,0.24862780201906565
+CCn1c2ccc(cc2c2c1cccc2)N,0.9891354765429468
+Clc1ccc(c(c1)N)O,0.2889865411380278
+CCNc1ccccc1,0.6737139378799246
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.23203855549784336
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.6034994089422115
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.08542281312104523
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.3059606590864685
+C1CC[C@H]2[C@@H](C1)O2,0.12585517528863802
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.30061531375161327
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.8660992069158663
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9412291056911205
+OCC(Cl)(Cl)Cl,0.2867107529993929
+OC[C@H]1CCCO1,0.4166060814689028
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.03336418664488486
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.9922087625254613
+C/C=C/C=O,0.7732782524263041
+CC(OC)CCO,0.33114291384586575
+OCC#CCO,0.45281657890439553
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.0033882994670070246
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.011579797026203195
+O=NN1CCOCC1,0.9363254914330157
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],0.9310837132163496
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.9261605939647044
+c1cnc2c(c1)C1OC1CC2,0.35485771776357417
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.0026146245596418163
+S=C1SSC2=NCCN12,0.5479940058439906
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.02837857311872206
+Oc1cc2ccccc2c(c1)O,0.49989468539679666
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9578196579953484
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.19465490220399198
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.950333601024948
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0.18447173834329425
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.07284503635174593
+O=CN(N=O)C,0.9418367777277389
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7379896496929308
+OC(=O)C(Cc1ccc(cc1)O)N,0.2341948702674176
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9167877730736365
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.5966329792063667
+ClC([N+](=O)[O-])Cl,0.5543924883653685
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.08999774612796203
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.4057728184891473
+CC(=O)Nc1cnc2c(c1)cccc2,0.5927810320637477
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9889976938000522
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.004247150851407658
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.9265798527116342
+C[N+]1(C)CCOCC1.Cl,0.0707550343639357
+C/N=N/O,0.8263720092122088
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.955283812222851
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.2579110996407425
+CC1CCCC2(C1(O)CCCC2)C,0.023315355006684347
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8661182759999194
+Cc1cccc2c1cccc2,0.6019370527292356
+Cc1ccc(cc1)/N=N/N(C)C,0.8545979093287861
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.12870381914291104
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.340522957943906
+CCOC(=O)C(C(=O)C)Cl,0.06870436065781206
+OCNC(=O)NCO,0.2761386360482138
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9328440556425156
+O=C/C(=C\c1ccccc1)/C,0.383066377758681
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.7918978071172467
+NC(=O)N,0.36429755430686406
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.6590604643643125
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.35803005859496245
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.9412930383406508
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.3238155784697928
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9829448920716456
+ON1C(C)(C)CCCC1(C)C,0.3566025298832672
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.7438687917443036
+BrCc1ccccc1,0.17918899625777318
+O=C1NC(=O)c2c1cccc2,0.38693997042781936
+ClC1=C(Cl)C(=O)OC1,0.8637126504977727
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.20291235278689937
+CN=NO,0.8263720092122088
+Cc1ccc2c(c1)cccc2,0.486243045717842
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8903997283266815
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.7206521561414108
+CCCC(C(=O)O)CCC,0.03076567813402571
+O=Cc1cccc2c1nccc2,0.18889498867842244
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9177423018841901
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.08516112815206527
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.519441416343127
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.3609066187471277
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9611071277039009
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.2089100434945063
+ON(c1ccc(cc1)Br)C(=O)C,0.48335814314020564
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.891017610250074
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.892388054294685
+FC(=C(F)F)F,0.3798206390969931
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.19235486224424275
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.08588552585420758
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9909147053043817
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9945995870154246
+Clc1ccccc1C(F)(F)F,0.03523564970704186
+Clc1ccnc2c1cccc2,0.364254470565547
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.22973949147247094
+CCCOc1ccc(cc1N)N,0.8855423683317417
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.01846097810198701
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.7359953321648913
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.016559870773318868
+Sc1nc2c(s1)cccc2,0.17154223397804008
+CCCCCN(CCCC)N=O,0.9241235076621829
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9779697669363322
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9836833789648024
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.09952650144330749
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.8670486631607242
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.998348890672617
+NCCCN(CC)CC,0.23667248079185407
+NCC[C@H](N)C,0.05262389210798114
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.42262543112637163
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.03709375601814858
+C1CCC[C@H]2[C@@H](CC1)O2,0.12585517528863802
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.035345947807525264
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.6311690418464003
+OC(=O)C(CC(=O)c1ccccc1N)N,0.45666789880262604
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.09665643503798708
+NC(=S)Nc1cccc2c1cccc2,0.5074499132816321
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.8107265313615157
+Cc1cc(O)nc(n1)S,0.1154044377596902
+COc1cc(ccc1OC)C[C@H]1CO1,0.9566304872712678
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.12437833491702004
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9359863434375808
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9581444130558125
+NCCCNCCCN,0.3079651981474173
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.10058921160676344
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.06306666991144283
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.0395967738861064
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.893870578935715
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.25696194827025515
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.02578021159618572
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.08012108804305018
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.952181427248545
+FC(C(F)(F)F)F,0.09591594823393114
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.03190509761096941
+CCNC(=O)CC[C@@H](C(=O)O)N,0.1332708449528614
+CCOCCOCC,0.17444666261292374
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.011273267026860328
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.12422607747910329
+NC(C(=O)NCC(=O)O)CS,0.7235114708525103
+C=COC(=O)C=C,0.133227184487953
+OCCP(=O)(O)O,0.19805036884605884
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.9299845508148672
+N#N=NC(c1ccccc1)c1ccccc1,0.8519778245921792
+OC(=O)CP(=O)(O)C,0.07571306820850594
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.947572716524065
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8690073909134315
+[O-][N+](=C1CCCC1)[O-],0.5463389107823553
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.2760079741938471
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.061015428590793355
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9705186170514327
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.969574282719102
+c1ccc2c(c1)cncc2,0.43804579035480856
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.3001134742271044
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.5541807231770809
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.1297695821034992
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.010163658388900411
+CCc1ccc(cc1)[N+](=O)[O-],0.7486815792806099
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9823546048114529
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.34659260935866026
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.0744671624551974
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.7861624334216174
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.006687098732477903
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9938329085504214
+CCCSC(=O)Cl,0.0943043447589175
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7882080962029056
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.5169693715765982
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.6751375921995048
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.4853026312279848
+OC(=O)/C=C/C(=O)O,0.10223151890279018
+COC(=O)C12OC2(C)C(OC1=O)C,0.9030524720347716
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.01593460010220753
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.6081343057980166
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9658917794029158
+CCCCc1cc(C)cc(c1O)CCCC,0.06338874315012671
+ClCC(=O)N(c1snc2c1cccc2)C,0.8621235461251052
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.9542273011081048
+N1CCN(CC1)c1ccccc1,0.22213168249551027
+OCc1ccc(cc1)NNC(=O)C,0.7547416867793514
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.001701110113335615
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.24541178439489955
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9613284352472538
+O=C1N(C)CCCN1C,0.22961294075132765
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.780185146143562
+ClCCSCc1ccccc1,0.6433084059955789
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9529844588808722
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.8869923485614264
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.09205340360455247
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.03527869289490331
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.03239210716489047
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.9514722115438193
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.0299466201930406
+CCOc1ccc(cc1)NO,0.7451981828490921
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.004726493393041111
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.0020125087526015233
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.4697931631356055
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9125922396091952
+Oc1c2ccccc2nc2c1cccc2,0.7055473022902693
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.9611890298415405
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6081343057980166
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.010748651081411074
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.8679551242395042
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.15111376444223934
+ONc1cc2c([nH]1)cccc2,0.8637272234152771
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.001715984452690933
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.03134343305346019
+O=NN(C(=O)c1ccccc1)C,0.9139380225323095
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.5973453032433395
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.6218114184733537
+O=Cc1ccc2c(c1)OCO2,0.1494304498732051
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.17429209414769825
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.8765783572763107
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.08658498249085617
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.3402047031460997
+CNc1nc2c(n1C)ccc1c2cccn1,0.9631877158235741
+Sc1ccc(cc1)[N+](=O)[O-],0.7810663206886039
+Cc1cccc(c1N)C,0.43013904133785924
+CCCCCOC(=O)C=C,0.008214825391931075
+Nc1ccccc1SCSc1ccccc1N,0.8377900990135674
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.8052515441473925
+ClCCN[P@]1(=O)OCCCN1CCCl,0.9660932940939835
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.04270335927889841
+CCOC(=O)CNC(=O)CBr,0.2375645941546562
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.20563631526770093
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.011114846228793336
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.007170012178587966
+Brc1ccccc1c1ccccc1,0.3104973580696496
+CC(=O)OCc1ccco1,0.34080726797811073
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.19465490220399198
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.32166182486613654
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.029480483313926317
+CC(N)(C)C,0.3273305073840359
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9966592704513728
+O=Cc1cccnc1,0.06623860092592906
+Cc1cccc2c1nccc2,0.6666438002916791
+N#CCc1ccccc1[N+](=O)[O-],0.2458797289523074
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.001997187927329827
+CCON(C(=O)c1ccccc1)OC(=O)C,0.9788349689892112
+ClCc1ccc(cc1)C#N,0.32629212240182137
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.9016377299411084
+[O-][N+](=O)c1ccccc1Cl,0.7365765987968402
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.4159636991652881
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.9796018399258622
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.16284061564702834
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.11294603913758963
+Oc1ccccc1,0.16154245432087297
+O=NN(C(=O)N)CCCC(=O)O,0.882886011382943
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.8784139892108779
+FC(C(F)(F)F)(Cl)F,0.0664375515734442
+CC(=O)NC(C(=O)O)CSCCCl,0.8655318698920226
+CNC(=O)Oc1ccccc1OC(C)C,0.11520543792919526
diff --git a/crossvalidations/mp2d/tensorflow/pred.nn.v4_ext.csv b/crossvalidations/mp2d/tensorflow/pred.nn.v4_ext.csv
new file mode 100644
index 0000000..d84a58f
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/pred.nn.v4_ext.csv
@@ -0,0 +1,8310 @@
+name,pred
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,1.3191447933991185e-08
+O=S1(=O)CC=CC1,2.5219222152372822e-05
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9999932050704956
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.08824467658996582
+C1CCCC2C(CC1)O2,0.25426656007766724
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,1.0
+N#[N+]c1nc[nH]c1C(=O)N,0.5345955491065979
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.9999998807907104
+NC(=O)Nc1cccc2c1nccc2,0.9999985694885254
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.60445237159729
+O=C(C1(C)OC1)NCc1ccccc1,1.0
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,5.603965743869715e-15
+OC1C2OC2c2c(C1O)ccc1c2nccc1,1.0
+CCCCCOc1ccc(cc1)N=O,0.9999858736991882
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.9917463064193726
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,1.0
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.9999839067459106
+C=CC(=O)OCCCCOC(=O)C=C,3.2696109685704394e-16
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.17830725014209747
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,1.0
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,1.834890827012714e-05
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.7322382926940918
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.003736104816198349
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.9995086789131165
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.9999993443489075
+OC(=O)[C@@H](CCl)Cl,3.987419769369005e-11
+N#Cc1ccc2c(c1)nc(n2C)N,1.0
+Cc1c(C)cccc1N,0.7642375826835632
+Nc1cccc2c1cccc2,0.999883770942688
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.9973036646842957
+O=CCCN(C(=O)OCC)N=O,1.0
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8946547508239746
+CCN1CCNC(=O)C1=O,1.3123336429998744e-05
+CC1=NNC(=O)N(C1)N,2.1903827640556983e-09
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,1.0
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+BrCc1cccc(c1)[N+](=O)[O-],0.999259352684021
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],2.535024599091551e-13
+Brc1cc2cccnc2c(c1)C(=O)O,4.327496356780345e-16
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,1.994100440327884e-09
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.9999353289604187
+CCOC(=O)CCl,7.111147781735383e-10
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],1.0
+CN=[N+](C)[O-],4.825854126033757e-12
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,3.1129281374830953e-09
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9999985694885254
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,4.476522010031286e-16
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,1.0
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,2.243282296032767e-11
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.9999963641166687
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.022519031539559364
+ClC(Cl)(Cl)Cl,0.0003897652495652437
+O=CCC(c1ccc(cc1)C(C)(C)C)C,9.005316566230992e-13
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,1.1002866813214496e-06
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,1.9408995285630226e-05
+ClC/C=C/CCl,0.9999998807907104
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.5511555671691895
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.330274760723114
+O1CCOCC1,0.19619318842887878
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,1.6863551515024126e-22
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9999143481254578
+COc1nc(C)nc(n1)N,5.368088260426686e-18
+COC(C(Cl)Cl)(F)F,1.7141373973572627e-05
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.9991793632507324
+Cc1ccc(c(c1)O)N,0.8604906797409058
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,2.838485002598645e-10
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,6.621283924791721e-13
+CCCC(=O)c1cc(O)c(cc1O)O,0.01873151957988739
+CCCCCCC[C@@H]1CCC(=O)O1,1.658852638586339e-10
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.0063270991668105125
+ONc1nc2c(n1C)ccc1c2cccn1,1.0
+Oc1nnc(c(n1)O)C,0.38198280334472656
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,3.2328302361495087e-12
+CC(=O)OO,0.05607597157359123
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,7.817924370101537e-07
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,2.739485807978781e-06
+Cc1ccc(cc1)C[C@@H]1OC1,1.0
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,3.1539220799459144e-06
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,2.7634321914105087e-11
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.3822662126017349e-08
+CC1=CC(=O)c2c(C1=O)cccc2O,1.0
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+NC1=N[C@@H](CS1)C(=O)O,2.191966359532671e-06
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,2.3412164864566876e-06
+O1C[C@@H]1COc1ccccc1,1.0
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,2.372689955620899e-08
+NCCCN1CCN(CC1)CCCN,1.3771771500969976e-09
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,1.2729167546410292e-11
+C[N+](Cc1ccccc1)(C)C.Cl,8.491787866415565e-14
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,9.284969650907841e-29
+O=NN1CC(=O)NC1=O,1.0
+CNC=O,3.6830533645115793e-07
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9998968243598938
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,5.7274874052382074e-06
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.9999986886978149
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,2.4024873593367776e-18
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,6.105979937092473e-17
+C=CCN(CC=C)CC=C,1.9769208492448342e-08
+O=C1C=C/C(=N/C(=O)C)/C=C1,5.043977041596648e-11
+O=C/C=C(/CCC=C(C)C)\C,3.570966092270034e-11
+CCCCCCCCCCCCS,1.771949769135972e-07
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,1.0
+[O-][N+](=O)c1cccc(c1N)O,0.8576062321662903
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.5017762780189514
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,3.2296308772014175e-22
+[O-][N+](=O)c1nccn1C[C@H](COC)O,1.0
+CCC=O,7.638640227014548e-07
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,8.931093360691552e-27
+CCCCCCCCCC,2.649008479238546e-07
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,1.0
+CCc1ccccc1,1.0469553672010079e-05
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9999416470527649
+BrCC(=O)Nc1ccccc1,7.621078168540407e-08
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,8.520933091060723e-12
+CNCCCC(=O)O,4.153870219763178e-16
+CC(=O)[C@H](O)C,0.20023608207702637
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,1.0
+CC(OC[C@@H]1OC1)(C)C,1.0
+CCCCC=C,1.677124782872852e-05
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.004645422101020813
+COC(CC(=O)C)(C)C,8.804863305469923e-13
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,1.0
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.4107472002506256
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,1.390944525062778e-18
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.999724268913269
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,1.0
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,1.0
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,1.0
+CCN(N=O)C=O,1.0
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,1.4475867549146572e-25
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.9987796545028687
+CC(=O)c1ccc[nH]1,1.7915658540035295e-11
+NC(=O)c1ccccc1C,0.12483301013708115
+COc1nsc2c1cc(N)cc2,1.0
+Cc1ccccc1Br,2.548568578397692e-10
+C1CCCN1,4.5717955799773335e-05
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,6.072295444248255e-11
+O=NN(C(=O)N)CC(=O)O,1.0
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,1.0
+Brc1ccccc1,1.0022576301879638e-13
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,8.514634828316048e-07
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9442214965820312
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.9999988675117493
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,1.0
+CCCOO,0.9999998807907104
+CC1(CO1)C1CO1,1.0
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.9830228686332703
+Ic1cc2cccnc2c(c1)C(=O)O,1.8782870224443027e-12
+CONC(=O)Nc1ccc(cc1)Br,2.1592543291565347e-12
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,3.281274943126376e-17
+N#Cc1ccc(cc1)[N+](=O)[O-],0.9999998211860657
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1.0
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,7.113310118711524e-08
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,3.4618910516037715e-10
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.9999860525131226
+COC(=O)CCC(=O)OC,2.5950456006285094e-08
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.057725220918655396
+C[C@@H]1CC[C@H](CC1)C(C)C,3.0616256752047377e-10
+CCCN(N=O)CCC,1.0
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.39600807428359985
+Fc1ccc2c(n1)cccc2,0.017161767929792404
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.999996542930603
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9999998807907104
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.9999946355819702
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,1.0
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,1.8352209705532144e-15
+N#C/C(=C(/C#N)\N)/N,0.0003304508572909981
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,7.501741466963305e-38
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.2903386652469635
+COc1cc(Cl)c(cc1Cl)OC,6.731847024266102e-11
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,6.66045506508145e-13
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.9883854985237122
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.999998927116394
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],1.0
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,1.0
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,3.3147034628200345e-07
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,7.581406613610397e-10
+O/N=C/1\C=C/C(=N/O)/C=C1,0.8063648343086243
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.5088104009628296
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,1.0
+ClCC[N+](C)(C)C,6.995059642633805e-09
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.2795143127441406
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,1.0
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9927884936332703
+C1CC=C2C(C1)CCc1c2cccc1,0.7676619291305542
+COc1cc(CNC(=O)C(Br)C)ccc1O,1.0
+ClCc1ccccn1,0.21080967783927917
+ClCC(=C)Br,0.9999998211860657
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,3.226155058655422e-07
+COCCOCCOCCOC,0.00034651116584427655
+c1ccc2c(c1)c(OCC1CO1)ns2,1.0
+Brc1ccc(cc1)[N+](=O)[O-],0.5925811529159546
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.9994190335273743
+Oc1ccc(cc1N)S(=O)(=O)O,3.1860878380030044e-09
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,1.7211992772157973e-26
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,1.0
+C1CCC2(CO1)CO2,0.9999984502792358
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,8.675615781328361e-11
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,4.0226211250882216e-11
+OC/C=C/Cl,0.5355140566825867
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.1999017894268036
+CCCCCCCCCCSCn1cc[n+](c1)C,0.9999938011169434
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.6361015439033508
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,1.2818136383430101e-05
+NC(C(=O)OC(C)(C)C)CN=N#N,1.0
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+CCCCCCCCCCCC=C,5.606462494256448e-08
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1.0
+Cc1ccc(cc1)N(C(=O)C)O,0.6198484301567078
+CC(=O)n1cncc1,7.609976537814589e-10
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1.0
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.9999998211860657
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.0017837012419477105
+CNNCc1ccc(cc1)C(=O)NC(C)C,1.4950769511301587e-09
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],2.9813840285441984e-10
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.9944514036178589
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6738418340682983
+ICC[C@@H]1OC[C@H](O1)CO,0.9944411516189575
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,1.0
+N#CC(=C(C#N)C#N)C#N,0.7713855504989624
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,6.780086323487922e-07
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,1.0
+O=NN1CC[C@@H]([C@H](C1)Br)Br,1.0
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,1.0
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,1.0
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.19395914673805237
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,1.5839349385063199e-19
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.9910662770271301
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,2.1321369149396308e-12
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9999986886978149
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,1.0810157618834637e-05
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.9996939897537231
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],1.0
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8449758291244507
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,1.0
+OC(=O)c1cccc2c1snn2,1.0235539082970035e-09
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,5.174190069456852e-12
+NC(=O)NNC(=O)N,1.0
+Nc1ccc2c(-c3ccccc3C2)c1,0.9999998807907104
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,1.0
+CCOc1ccc2c(c1)sc(n2)N,0.9998601078987122
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.9999834895133972
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,1.0
+CN1CN(C)CSC1=S,3.511171908776589e-10
+O=Nc1ccc(cc1)Nc1ccccc1,0.8017494082450867
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.4719310700893402
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1.0
+OC(=O)c1ccc(c2c1snn2)O,3.108755253222739e-09
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,3.3197569103365974e-20
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.00017306233348790556
+CCc1cnccn1,1.8845608250192346e-16
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1.0
+NCC1(C)CC(N)CC(C1)(C)C,1.4705962413531087e-13
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.31247663497924805
+ClCCCC(=O)N(c1snc2c1cccc2)C,1.7865449564169467e-08
+CCCCCCCCCCCC(=O)N(CCO)CCO,2.8510444005647173e-11
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,7.569775901483493e-15
+OCCN1CCNCC1,0.40639299154281616
+COC(=O)c1ccccc1C(=O)OC,0.5971230268478394
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,2.4205340422994714e-12
+O[C@@H]1OC(=O)C(=C1Cl)Cl,1.0
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.9741572141647339
+BrCCCCBr,1.0
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9999988675117493
+O/N=C/C=N/O,1.0709580919865402e-06
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,1.1149386969222519e-09
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.9999948740005493
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,2.8283186339836397e-13
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,1.0
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,1.852987381589788e-12
+N#CCCC#N,0.0017951000481843948
+Nc1nc2-c3cccnc3CCc2s1,8.221112050670054e-13
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.0364297553896904
+CC(C(CCl)Br)Br,1.0
+C=CCOc1ccccc1OCC(CNC(C)C)O,3.105477264231382e-10
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,3.896248986973825e-17
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.9999987483024597
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,1.254299702296846e-11
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,4.0697312897464144e-07
+ClCc1c2ccccc2c(c2c1cccc2)C,1.0
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,9.284177622248535e-07
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,2.864708626116052e-26
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.9999996423721313
+ClC[Si](C=C)(C)C,0.11113928258419037
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.5892642140388489
+O=c1[nH]cc(cc1N)c1ccncc1,0.8216232061386108
+CCNS(=O)(=O)c1ccccc1C,1.638413976989421e-16
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.8022474050521851
+CSC(/C=N/O)(C)C,1.5115223322655948e-14
+Nc1cccc2c1nc1CCCCc1c2,1.0
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,4.1853668968083735e-12
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,1.0
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1.0
+COc1c2ccc(cc2nc2c1cco2)O,0.9999381899833679
+CC(=O)Nc1ccnc2c1cccc2,1.2968948137626057e-09
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,3.2439377406490166e-08
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,1.0
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,1.0
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,1.727172248493243e-25
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.5293140054609414e-19
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.6540945768356323
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.9008883237838745
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,3.7526805840570887e-07
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,1.7495843315784576e-11
+CNS(=O)(=O)c1ccc(cc1)N,4.052767454965078e-09
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,4.51479193865178e-28
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.7317578196525574
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,2.200032977934052e-25
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,1.0
+CC1=CC2CCCCC2c2c1cccc2,0.9999998211860657
+Clc1cc2ccccc2c2c1cccc2,0.9999949336051941
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,1.0
+C=CCc1ccc2c(c1)OCO2,0.0004119606164749712
+CCc1cc(cc(c1N)CC)c1ccccc1,0.4238413870334625
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,1.0
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,2.2899657490006177e-16
+O=c1c2cccc3c2c2c1cccc2cc3,0.9025551080703735
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.7984477281570435
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,2.800098865855414e-21
+O=CC[C@H](CCC=C(C)C)C,7.145449565371109e-09
+ONc1cccc(c1)C,0.9999723434448242
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.6346930265426636
+OC1=C(O)C(=O)C1=O,3.686809213832021e-05
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9999996423721313
+Cc1ccc(cc1)CC1OC1,1.0
+OC(=O)C[C@@H](C(=O)O)Cl,4.297105338224583e-09
+CNC(=O)Nc1cccc(c1)C(F)(F)F,3.1525692794078203e-16
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],1.0
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,6.213579671387272e-23
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,1.3337855125916676e-13
+C1CCC2C(C1)CC1(CC2)CO1,4.575574402872207e-13
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.9999554753303528
+NCCCN,6.952546391403303e-05
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9999997019767761
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,4.447011662968677e-29
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,3.1934372003326536e-14
+OCc1ccc(cc1)F,0.006839103065431118
+FC(C(C(Cl)(F)F)(F)F)Cl,3.8671086547645006e-19
+O/N=C/C1N(CCCN(C)C)C=CN1C,1.1089427310166592e-18
+CC(c1ccc(cc1)C(C)(C)C)O,3.924460176317826e-14
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,4.517465994514783e-16
+Cc1cc(C)cc(c1)N,0.20000603795051575
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,4.0166399936994446e-13
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9999098777770996
+NC(=S)Nc1ccccc1,0.6044617891311646
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,1.0
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],1.0
+CCc1ccccc1[N+](=O)[O-],0.0038521052338182926
+NC(=O)CNC(=O)C=N#N,1.0
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.9998946189880371
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,1.6808831787784584e-05
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.018874190747737885
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.5987774133682251
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,1.0
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,3.1500893005187436e-09
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,1.0
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,5.130191417350178e-15
+N#CC(O)(C)C,3.737673726078583e-09
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,5.267346347214159e-18
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,3.9660199036006816e-07
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,2.6204651936459185e-15
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.9999841451644897
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.7830755114555359
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.9994267225265503
+Clc1cccc2c1cccc2,9.420778042112943e-07
+CCN=[N+](CC)[O-],1.1020270491242292e-14
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9995214343070984
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.21190449595451355
+COCN(c1c(CC)cccc1CC)C(=O)CCl,2.096353227898362e-06
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.7976240515708923
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3.1136507261386726e-10
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,6.54912130818046e-33
+OCCc1c[nH]c2c1cccc2CC,0.19941142201423645
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.9780756831169128
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,2.555745060028869e-10
+Cc1cc(N)c(cc1N)C,0.9958983659744263
+CC(=O)c1cccn1[N+](=O)[O-],0.9227169156074524
+C[N+]1(C)CCOCC1,5.1064479034135246e-11
+OCC=C(CCC=C(C)C)C,4.11895859217179e-14
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.19999997317790985
+Oc1ccc(cc1)Cc1ccccc1O,4.352149335318245e-05
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,2.3968328605405986e-05
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,1.921408738780883e-06
+Nn1c2ccncc2c2c1cccc2,0.7931222319602966
+CC(=N)S,3.6240831832401454e-05
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,1.6732860228742107e-25
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.9999983906745911
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.6462917327880859
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,9.549405710629344e-10
+C=CC(=O)NCNC(=O)C=C,2.6435847757966258e-05
+OCC[C@H](CCC=C(C)C)C,2.794875442191369e-12
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,1.1351023593286769e-10
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,8.390191506171524e-28
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,1.2506351468959099e-15
+ClC(C1=C(Cl)C(=O)OC1)Cl,1.0
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.9999986886978149
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,1.638638260725942e-14
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1.0
+n1ccc(cc1)c1ccccn1,0.7972425222396851
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,8.059749157136864e-13
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.19796742498874664
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.9999810457229614
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1.0
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.9954989552497864
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,5.108894973737677e-10
+O=CCCCC=O,3.625305922128064e-08
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1.0
+CC1CS1,3.9873393475886587e-10
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1.0
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,1.6485837562682846e-19
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],7.824453918350149e-28
+OOC(c1ccccc1)(C)C,0.1432364583015442
+COP(=S)(SCC(=O)N(C=O)C)OC,0.6053181290626526
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,7.672801984881517e-07
+CC1OC(C)OC(OC(O1)C)C,0.03151915222406387
+NCCS,0.6624143123626709
+CCCCCCCC1CCC(=O)O1,1.658852638586339e-10
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,1.0
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,4.131095920456573e-06
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,6.851515991002088e-06
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.3670259714126587
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.9999992251396179
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,6.807411409681663e-05
+CC(OC(=O)CC(=O)OC(C)C)C,5.624067433984692e-09
+COc1cccc2c1C1(C)OOC1(O2)C,0.9990584254264832
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,2.4636613278963826e-13
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,1.6576036898641178e-07
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,1.0
+COC=O,0.010126950219273567
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,9.727931455927319e-07
+ClC(=O)CCc1ccccc1,0.9999970197677612
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,2.5449181650927244e-10
+ClCC=O,0.49419325590133667
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],1.0
+ClC(C(=O)O)Cl,0.9405289888381958
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1.0
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.9924392700195312
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.8028879165649414
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,2.1321369149396308e-12
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,8.483106057610712e-07
+ClCC(CCl)Cl,0.9999960064888
+Clc1cc(Cl)c(c(c1)Cl)N,0.9999998807907104
+c1ccc2c(c1)cnnc2,0.6687811613082886
+CN(/C=N/c1ccc(cc1C)Cl)C,1.0188488275275631e-08
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,1.0
+O=C1c2ccccc2-c2c1cccc2,0.0913393497467041
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,1.0
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,1.0
+C([C@@H]1OC1)Cc1ccccc1,1.0
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.9999994039535522
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9998448491096497
+ClCc1ccccc1,6.530526661663316e-07
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,1.0
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.999731183052063
+O=c1c2ccccc2[nH]c2c1cccc2,0.6269828081130981
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.00029961724067106843
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1.0
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,1.0
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.0007528121932409704
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],1.4885408037472805e-14
+Nc1nc2c(n1C)ccc1c2cccn1,1.0
+OCc1ccccc1,7.170962845748363e-08
+ON1C(=O)CCC1=O,0.03891635313630104
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,1.0
+[O-][N+](=O)/C=C/c1ccccc1,8.906989705792512e-07
+[O-][N+](=O)c1ccc(o1)C(=O)OC,1.0
+Nc1ccc(cc1)O,0.9872993230819702
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.9999998211860657
+O=S1CCOC(=C1C(=O)N)C,0.27480846643447876
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,5.978565420505788e-10
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.8849242925643921
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,1.0440608575986495e-15
+ClCC[N+](CCCl)(C)[O-].Cl,1.0
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7360304594039917
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.0985241231950354e-15
+OCC(C)C,2.584816360950981e-09
+CC(=O)c1ccc(cc1)[N+](=O)[O-],1.0
+Clc1ccc(c(c1)N)Cl,0.6417256593704224
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,2.4825375248885805e-15
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,3.2412440786888652e-12
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9996894598007202
+OCCNC(=O)C(O)C,0.9999994039535522
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1.0
+OCCOc1cc(Cl)c(cc1Cl)Cl,4.637086626032189e-19
+COc1cc(N=Nc2ccccc2)ccc1N,1.0
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.600670576095581
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],7.862298729817765e-15
+Clc1ccccc1,6.018068265944976e-09
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.19973823428153992
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,1.0
+n1ccncc1,6.662891973974183e-05
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,3.477292759290762e-11
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,1.0
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.9999834299087524
+CC(CN(CC(C)C)CC(C)C)C,1.579703393872478e-06
+OCC(C(C(C(C=O)O)O)O)O,2.274622374898172e-06
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.9999988675117493
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.1862718164920807
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,3.895913037165634e-24
+OCCC(CCC=C(C)C)C,2.794875442191369e-12
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.9999992251396179
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,3.5107221898469584e-14
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.9917856454849243
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,1.0
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,1.0
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,4.370832944642039e-17
+CCCCCCCCCCCCCl,4.791307901541586e-07
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.0010873791761696339
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,2.3948679881868884e-05
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.8522003889083862
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,1.2372743185551371e-07
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,1.0
+Cl/C=C(\C(Cl)Cl)/Cl,1.0
+NNc1scc(n1)c1ccc(cc1)N,1.0
+c1ccc(cc1)CN1CCN=N1,0.9993532299995422
+BrCc1c2ccccc2cc2c1cccc2,0.9999995231628418
+O=C1CC(=NN1c1ccccc1)C,1.9516789961926406e-08
+[O-][N+](=O)c1ccc(o1)c1cscn1,1.0
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,6.378271522056167e-11
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,1.0
+O=CC(C)C,1.1691587253892521e-08
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9999672770500183
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1.0
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,1.9842326566543722e-12
+O=C(C(Br)(C)C)NCc1ccccc1,2.2097332297299488e-10
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,2.7865274323232226e-16
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.9999963641166687
+Cc1c(C)cccc1O,1.9606552086770535e-05
+NC(C(=O)O)CSC(=O)NCCCl,1.0
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,1.2400014348656896e-09
+SCC(C(=O)O)NC(=O)C(SC)(C)C,1.760642006536431e-13
+CCCCN(CC(=O)CC)N=O,1.0
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.0006955263670533895
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,2.9859346549076866e-18
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9999995231628418
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.8258613348007202
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.9222642779350281
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.9999745488166809
+Cc1ccc(cc1)N=NN(C)C,0.9999998211860657
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,2.1789069861227608e-20
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9999924898147583
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,1.0
+ClCN1C(=O)c2c(C1=O)cccc2,0.7941083312034607
+c1ccc(nc1)c1cccnc1,1.850323087637662e-06
+NC(=O)c1c(Cl)cccc1Cl,0.19758901000022888
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,1.0
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1.0
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9992581605911255
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.9963272213935852
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,8.706549925463491e-10
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,1.0447307081939972e-11
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,1.0
+Clc1ccc2c(c1)nsc2N,0.9998302459716797
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,3.420148331613949e-19
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.5945852398872375
+O=C1C(O)CC(N1C)c1cccnc1,3.6184694563595743e-12
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],1.0
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,1.0
+CCCCN,0.0004974736948497593
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,2.1477352882270928e-11
+C/C=C\c1ccc(c(c1)OC)O,1.1992132385785226e-05
+OCCN(c1ccc2c(c1)cccc2)CCO,0.8749549984931946
+S=c1ssc(c1C)c1cnccn1,0.381582647562027
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.021695991978049278
+O=NN(CC(=O)C)COC(=O)C,1.0
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,6.667995222642276e-08
+CN(NC(=O)CCC(=O)O)C,2.4919247607613215e-06
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.9238666649351588e-12
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,3.6516703403322026e-05
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.9999801516532898
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],1.0
+O=c1ccc2c(o1)cc1c(c2)cco1,0.9999826550483704
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.9999998807907104
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.6436838507652283
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.9325143098831177
+OCCc1ccc(cc1)N(C)C,0.9921509027481079
+CN(CC(=O)O)C.Cl,2.156042949426687e-13
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9999993443489075
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9999906420707703
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1.0
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,4.811872855725596e-08
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.8015462160110474
+CC(OC(=O)C)C,0.10554174333810806
+CCOc1cccc2c1nccc2,0.6379677057266235
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1.0
+CCOC(=O)[C@@H](O)C,1.3363354867124144e-08
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,1.0
+NNC(=O)CNC(=O)C=N#N,1.0
+O=Cc1ccc(cc1)O,2.5327835193197056e-14
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,2.3102355584114775e-08
+Cc1c(N)cccc1Cl,0.45356541872024536
+N#N=NCC(Cn1cnc2c1ncnc2N)O,1.0
+COCC(=O)O,8.069792121860597e-13
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,1.3595605557700265e-14
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,1.0
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.9999955892562866
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.582563579082489
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],5.4070682368945734e-17
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.9999376535415649
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,1.7071672585571878e-23
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1.0
+N1C2C1c1cscc1-c1c2csc1,1.0
+CCCCN(CCCC(=O)O)N=O,1.0
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9999992251396179
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.9995541572570801
+OCCN(C(=O)OCC)N=O,1.0
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,1.1653780588862787e-19
+Nc1nc(NC2CC2)nc(n1)N,3.154032035546095e-10
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.19998040795326233
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,1.0
+ClCC(CBr)(Br)C,5.634278821275984e-09
+Cc1ccccn1,0.0212286077439785
+CCCN(C(=O)N)N=O,1.0
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,1.9718051635919664e-09
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,3.273762012347137e-14
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,2.017087885608504e-11
+Fc1ccnc2c1cccc2,0.7999809384346008
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.7256897687911987
+NC(=O)c1cnccn1,1.295089036013053e-09
+FC(Oc1ccc(cc1)N)(F)F,0.9834669232368469
+[O-][N+](=O)c1cccc(c1C)N,0.9999788403511047
+OCC(CO)(C)C,2.0504704878465674e-10
+O=NN(CCCC(c1cccnc1)O)C,0.847383975982666
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,1.0
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.6056358814239502
+O=C1C=CC(=[N+]=[N-])C=C1,0.8010851144790649
+Clc1cccnc1,1.5916816340421844e-15
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,6.70436801187162e-20
+O=NN1C[C@H](C)C(=O)NC1=O,1.0
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,9.602401414257564e-18
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,7.195071395507766e-15
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,1.0
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.9999440908432007
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1.0
+[O-][N+](=O)c1ccccc1C(=O)N,0.9992235898971558
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.9990203976631165
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,4.155769356139248e-19
+COP(=S)(OC)Cl,0.010638635605573654
+ONc1cnc2c(c1C)nc1n2cccc1C,1.0
+OCC#N,3.4346041502431035e-05
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1.0
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.2002933770418167
+NC(=S)c1c(Cl)cccc1Cl,4.4248790742607014e-10
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,1.0
+OC1OC(=O)C(=C1Cl)Cl,1.0
+OCCN(C)C,5.1979051931994036e-05
+O=Nc1ccc(cc1)N(C)C,1.0
+OCc1cccc(c1)Oc1ccccc1,0.05240660905838013
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,1.0
+CN(CCN(c1ccccn1)Cc1cscc1)C,1.6845262800455753e-24
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1.0
+Nc1cccc(c1)N,0.7096949815750122
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.9999984502792358
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.7723554372787476
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,4.440788075044111e-07
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.9999955296516418
+Oc1cnc2c(c1)cccc2,5.684576535713859e-05
+CCCCCN,4.983605208508379e-07
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.999066174030304
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.9569975137710571
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,1.0
+O=CN(C)C,0.0004955956246703863
+C=CCc1ccc(c(c1)OC)OC,3.3973642530327197e-06
+O=NN(C(=N)N[N+](=O)[O-])C,1.0
+COc1cccc(c1C(=O)N)OC,0.32039874792099
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9986635446548462
+NN(Cc1ccccc1)Cc1ccccc1,0.013682065531611443
+Cc1ccc2c(c1)nn[nH]2,0.999595046043396
+c1ccc2c(c1)cc1c(c2)cccc1,0.4996825158596039
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.9999994039535522
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.9999690055847168
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,1.0
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9999734163284302
+OC(=O)c1cc(Cl)cc(c1)Cl,8.462788692042977e-09
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.999941349029541
+Nc1ccc(c(c1)Cl)C,1.8120481399819255e-05
+COc1ccccc1O,0.019806787371635437
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,1.0
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1.0
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,3.565148957091432e-19
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9999977946281433
+CCCCCCCCCc1ccc(cc1)O,6.773581001651152e-11
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,8.582284422885352e-24
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,1.0
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,9.269957712684448e-14
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,1.7838862609309558e-09
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.08011000603437424
+Oc1cccc2c1nccc2,0.9768121838569641
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,1.0
+Nc1ncnc2c1ncn2C,0.9999924898147583
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,7.133250907610648e-16
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,1.0
+CC([N+](=O)[O-])(C)C,2.9759535209450405e-06
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9999998211860657
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.009616648778319359
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,3.8599770654145864e-19
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,1.0
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],1.0
+Nc1cccc(c1)Cl,0.0068605393171310425
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.3463105857372284
+Clc1ccc2c(c1)nc([nH]2)C,1.0006308281962362e-10
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,1.0
+Oc1cc(Cl)c(cc1Cl)O,3.2291596290369776e-14
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,1.0
+Cc1cccs1,0.10278183221817017
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,8.980787948975177e-15
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,4.721873255895612e-15
+O=NN1CCN([C@H](C1)C)N=O,1.0
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,1.0
+OCc1ccc(cc1)Cl,1.5493230032248562e-09
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,1.0
+CCCN=NC(OO)(C)C,0.997588038444519
+CCN,9.103704360313714e-05
+NC(=O)C=C,0.4002331793308258
+CC(Br)Br,0.00010910620039794594
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1.0
+CCP(=O)(OCC)OCC,9.841266728471965e-05
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,1.0
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,2.89437258882419e-11
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.9999996423721313
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,1.5004456010991873e-12
+CCC/C=C(/C=O)\CC,2.9024704514823974e-11
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],1.0
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,1.0
+COc1ccc(cc1)OC,0.0016426520887762308
+ClCC(=O)CCl,0.5929454565048218
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,7.655396096139436e-18
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,1.0
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,1.0
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.9999960064888
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.9942642450332642
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,6.275841738652822e-34
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,4.0917342430946135e-11
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,1.81718391445429e-07
+CC(=O)CC(O)(C)C,5.1705781600335e-16
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,1.0
+Oc1ccc2c(c1)cc[nH]2,1.042426700514909e-10
+C[C@@H]1O[C@@H](C)CN(C1)N=O,1.0
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,3.608967237469368e-13
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1.0
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,1.3235520112475208e-17
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,1.0
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,1.0
+CN(C#N)N=O,0.9999998211860657
+NCCCN(C)C,0.1999988555908203
+C[C@H]([C@H](O)C)O,1.129464743954145e-09
+O=C1CCC(N1C)c1cccnc1,1.514178019079715e-11
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,2.3541634136883816e-14
+COc1ccc(c(c1)C(C)(C)C)O,4.2276301903676483e-10
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+C[C@H](CNC[C@H](O)C)O,0.570454478263855
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,8.670074607325736e-22
+C[N+](CC1OC1)(C)C,0.9941478967666626
+Cc1nccc2c1[nH]c1c2cccc1,0.9999603033065796
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,7.46769501347444e-07
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,2.893455655629105e-18
+OC(=O)CN(CC(=O)O)CC(=O)O,5.401823736581046e-13
+[O-][N+](=O)OOC(=O)C,0.029839426279067993
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.3947736322879791
+IC(I)I,0.0006687562563456595
+CCCO,7.39067574501151e-12
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,1.0
+Clc1ccc(cc1)Br,3.194757872928189e-16
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.9999810457229614
+C=Cc1ccccc1Cl,0.37266260385513306
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,5.885809201133796e-11
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,4.712977610004429e-16
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,1.0
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.9974724054336548
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.00011942265700781718
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,1.0
+BrC(C#N)Br,0.00011468800948932767
+O=NN(c1ccccc1)c1ccccc1,0.80302494764328
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,1.0
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,3.34027890858124e-06
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,1.3021144058822376e-11
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],1.0
+C[C@@H](ON=O)CC,0.9998651742935181
+O=NN1CCC[C@@H]1c1cccnc1,1.0
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,1.0
+Nc1nc2c(n1C)ccc1c2cncc1,0.9999963641166687
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.16887857019901276
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1.0
+ONc1cnc2c(c1)nc1n2cccc1,1.0
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.9702315330505371
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,1.152302581964533e-33
+Nc1cc2ccccc2c2c1cccc2,0.9999819993972778
+Nc1nc(N)nc(n1)Cl,1.912044233067043e-14
+Fc1cccc2c1ccc1c2nccc1,1.0
+c1ccc2c(n1)cnnc2,0.15196721255779266
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9999859929084778
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,1.5949845543167078e-14
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,1.0
+OC(=O)c1cccc(c1)C(F)(F)F,3.984748642160696e-10
+CCOC[C@H]1CO1,0.9999998211860657
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,4.954680844093673e-05
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.9999986886978149
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.9999944567680359
+Clc1c(Cl)ccc(c1Cl)Cl,4.505916351149608e-08
+NNc1nncc2c1nccc2,0.9974477887153625
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,1.3542225119067552e-08
+ClCC1=C(Cl)C(=O)OC1,1.0
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,1.0
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,1.0
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,1.0
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,1.0
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,3.7244936276538366e-29
+O=CC(Cl)(Cl)Cl,0.6143534183502197
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,2.680384909581335e-07
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,8.155130947075448e-22
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.6653753519058228
+CCCCCN(CCCCO)N=O,0.9999998211860657
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,1.6192765248607412e-17
+ClC(c1ccccc1)C(=O)Cl,1.0
+N#C/C=C/C#N,1.2020350936836621e-08
+O=Cc1ccccc1C,1.1284373435671569e-10
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,2.2201760151467284e-14
+OC(=O)C(Br)(Br)Br,3.260563289586571e-06
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.7576050758361816
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,1.876434817748473e-18
+ClCCN(CCCl)C,0.3671654164791107
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,1.5320984375744626e-20
+CC(OS(=O)(=O)C)C,1.0
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.9959942698478699
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,5.957065063455502e-09
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.9999853372573853
+N#CCC[C@](C#N)(CBr)Br,0.5460320115089417
+ClC([N+](=O)[O-])(Cl)Cl,0.4328489899635315
+C1CC[C@@]2(CO1)CO2,0.9999950528144836
+CCCc1cc(O)nc(n1)S,3.396508863897368e-24
+Cc1ccncc1,9.353156826819031e-08
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.9984391331672668
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.9973743557929993
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1.0
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,1.0
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,3.536960662131605e-07
+CC(=C)C(=O)O,6.630906455029617e-07
+O=C=NC1CCCCC1,1.9357362934790956e-10
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,1.0
+Cc1ccco1,2.543470534015213e-13
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,1.0
+CSSC,0.0029760722536593676
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.6587721705436707
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,1.0
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,2.876380024072505e-21
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,1.0
+C[C@H](COC[C@H](O)C)O,0.20271077752113342
+Nc1ccc(c(c1)C)C,0.9858019948005676
+c1ccc2c(c1)nccn2,4.768916551256552e-05
+NC(=O)c1ccccc1O,0.16611140966415405
+Cc1cccc(c1N)C,0.00019511007121764123
+Oc1ccc(cc1)[N+](=O)[O-],0.6776197552680969
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,5.953462722807501e-10
+OC1C=CC2C(C1O)O2,0.9999995231628418
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,1.0
+C/C=C/c1cc(OC)ccc1OC,0.2860961854457855
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,8.583912316249366e-22
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.9999998807907104
+C=C=O,0.0001363939663860947
+CCCCCCNCCCCCC,2.098614393375442e-09
+ClCc1cccc(c1)CCl,0.7617250084877014
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.43736162781715393
+OCc1c(CO)cnc(c1O)C,3.217990610242835e-15
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.9999583959579468
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,1.0
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,3.9377946450258605e-06
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,6.620015645419138e-15
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,2.7117242301475697e-20
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],1.0
+C=CCOC(=O)COCCC(C)C,1.0470881800506149e-10
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,1.0
+Cc1c[nH]cn1,0.003064739750698209
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.9966024160385132
+CC1=CC[C@H]2C[C@@H]1C2(C)C,2.958863585379678e-23
+Cc1cc(C)c(c(c1)C)C,3.805496817221865e-06
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,1.0
+Nc1c(C)cccc1N,0.9995193481445312
+CC(=O)/C=C/c1ccc2c(c1)OCO2,5.795195647806395e-06
+OC(=O)COc1ccc(cc1C)Cl,9.488248945213607e-14
+C=COc1ccc(cc1)[N+](=O)[O-],0.9999672174453735
+Nc1nc2c(n1C)c(C)cc1c2nccn1,1.0
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.5490503907203674
+CCNc1nc(O)nc(n1)NC(C)(C)C,2.201702503432339e-24
+CCCCN(CC(=O)C)N=O,1.0
+ClC(=O)c1ccccc1,0.9999997019767761
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,7.959808499435894e-06
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.41144147515296936
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,4.2246510245170024e-14
+Cc1cc(C)cc(c1)O,2.0262032762730087e-07
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,7.06793216522783e-05
+Nc1ccc(cc1)CCc1ccccc1,0.9936819076538086
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.032247524708509445
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.9999977350234985
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,2.0176424975204554e-09
+OCCN(C(C)(C)C)CCO,0.0029764652717858553
+CC12OOC2(C)c2c(O1)cccc2,0.9989107251167297
+Nc1ccc2c(n1)c1ccccc1cc2,1.0
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.9919276237487793
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.0003533192502800375
+Nc1cnn(c(=O)c1Cl)c1ccccc1,1.0
+O=NN1CCCCCCC1,1.0
+O=C1C=CC(=O)C1(Cl)Cl,0.7941808700561523
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,1.5177081126720678e-23
+O=S1(=O)CCCCO1,1.0
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.0001260304416064173
+[N-]=[N+]=NC[C@H](C(=O)O)N,1.0
+ONc1ccc(cc1)C,0.9999736547470093
+ClC(=C(Cl)Cl)Cl,0.005655714310705662
+O1C[C@H]1c1ccc(cc1)c1ccccc1,1.0
+OC(=O)Cc1cccc2c1cccc2,0.20509561896324158
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,1.0
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,1.6048363809736954e-12
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.20051446557044983
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,1.0
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,6.363244566681692e-12
+ONc1ccc(cc1)Cl,0.9999799728393555
+CC(=O)Nc1ccc(cc1)C,5.822004141009529e-07
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],1.0
+C1CCSCS1,2.0097526430618018e-05
+Cl/C=C(\SCc1ccccc1)/Cl,1.0
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,1.0
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,1.0
+Fc1c(N)cc(c(c1Cl)F)Cl,1.5863673979765736e-05
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.999986469745636
+CC(=O)c1ccc2c(c1)cccc2,0.03980583697557449
+COC(=O)c1csc(c1S(=O)(=O)N)C,4.648949478961058e-14
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,5.075253994846207e-08
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,7.332623955724413e-14
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.9824247360229492
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,1.5153776899978766e-08
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.7735961675643921
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,2.923911113228428e-11
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,1.991348816395871e-18
+O=CCC(C)C,4.6143747156612847e-10
+O=C([C@]1(C)OC1)NCc1ccccc1,1.0
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.00030896556563675404
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.7786420583724976
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,1.4781197099633658e-10
+CNC(=O)c1cccnc1S(=O)(=O)N,1.2769152705267606e-16
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.9022573232650757
+OC(=O)c1cccnc1,0.053866446018218994
+N#N=NCC1OC(O)C(C(C1O)O)O,1.0
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,1.0
+CP1(C)NP(C)(C)NP(N1)(C)C,6.402620056178421e-05
+Cc1cc(O)c(c(=O)o1)C(=O)C,1.23977061949887e-09
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,1.0
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,1.0401997485587344e-07
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.9445869326591492
+CCCCCC(=O)OCC,3.135935677800461e-10
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,1.0
+COC(C)(C)C,0.39676737785339355
+O=C1NS(=O)(=O)Cc2c1cccc2,3.657049774119514e-09
+OC(=O)C1OC1C(=O)O,1.2500308566032459e-09
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,3.0243560433795835e-10
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,7.152519629016751e-06
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.9999977350234985
+OCCCCCCCCCCCCCCCCCC(=O)O,3.748821999355334e-13
+[O-][N+](=O)c1ccc(o1)CNCCO,1.0
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,1.615961155848871e-14
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,6.856953405076638e-08
+FC(C(Cl)(Cl)F)(Cl)Cl,0.00017842388479039073
+ONc1cccc(c1)c1ccccc1,1.0
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,1.0
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,1.0
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1.0
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.14110377430915833
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,1.7418229054322735e-26
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.5260998010635376
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,4.083194338200258e-10
+BrCC(=C)Br,1.0
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,2.311990009162823e-11
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,1.0
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,5.76584224809551e-10
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,3.227846150366531e-07
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9999394416809082
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,2.683963728350447e-12
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.00025375784025527537
+Nc1cccc2c1c(O)nnc2O,0.011628719046711922
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,9.273393719588796e-10
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.8326892852783203
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,8.427327585769362e-11
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,1.0
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.0006445572944357991
+FC(C(C(F)(F)F)F)F,7.087371156264382e-15
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9887380599975586
+O=Cc1ccc(cc1)C,8.12481050320446e-13
+Nc1cccc2c1snc2,0.9999998211860657
+Oc1ccnc(n1)O,1.6635334060786933e-13
+CN1COCN(C1=N)Cc1cnc(s1)Cl,1.9130675451511495e-18
+c1ccc2-c3c(Cc2c1)cccc3,0.9989374876022339
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,1.4548509619238814e-10
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9998143911361694
+Clc1ccc(cc1)[S@](=O)C,3.939822793691587e-18
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.9730628728866577
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,1.0
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],9.853599327539625e-14
+OC[C@H](O)C,1.0925467677225242e-06
+OCC(C(C(C1SCCN1N=O)O)O)O,0.9999986886978149
+Nc1[nH]cnc2-c1ncn2,0.9999906420707703
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.5778387784957886
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,4.261873982613906e-06
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,1.0335525324478567e-08
+c1scc(n1)c1nc2c([nH]1)cccc2,1.0
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,1.0
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.6743211150169373
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.2355268895626068
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.9995783567428589
+OCCN(C(=O)Nc1ccccc1)C,1.300156250022555e-11
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,1.6965768400320966e-20
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,2.2573500889160568e-14
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,1.5153776899978766e-08
+COC(=O)N,0.8863552212715149
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,6.07287820031388e-09
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.9999915957450867
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],2.867378316295799e-05
+N#CCCNCCC#N,7.128232937247958e-08
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.3539872169494629
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.00027673316071741283
+OC(=O)CC(=O)O,2.1793714211071347e-07
+Clc1ccncc1,5.215378129364012e-11
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,4.440068104849537e-11
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,5.463336947286734e-06
+CCCN(C(=O)SCc1ccccc1)CCC,1.569156995095619e-13
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,3.82714400249543e-17
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.5616551041603088
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,1.1196374771916377e-22
+ON=C1CCCCC1,0.6289615631103516
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.14109432697296143
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,1.0
+NC(C(=O)O)Cc1ncn[nH]1,7.151376019143285e-11
+OCc1nc(N)nc(c1)C1CC1,1.4548690841599066e-15
+Cc1cccc(c1)c1nc2c(o1)cccc2,1.408689652556902e-14
+CCCCCCC(=O)OCC,3.135935677800461e-10
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.33526840806007385
+OCCCc1ccccc1,6.525217255415328e-09
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,1.7592850597549295e-14
+CCOS(=O)(=O)c1ccccc1,1.0
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,1.0
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,6.011387915227928e-11
+ClCc1ccccc1[N+](=O)[O-],0.3173850178718567
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,4.279650776028708e-25
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9999996423721313
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,3.223787746085491e-14
+CCCCB(CCCC)CCCC,2.3322031950101518e-07
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,1.0
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9999944567680359
+Cc1ccc2c(-c3ccccc3C2C)c1,1.0
+ICCc1ccccc1,0.9667706489562988
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,7.401030844764438e-16
+OCCC(C)C,6.1819207530788844e-09
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,3.332329787118345e-39
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,1.0
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,1.7189093708515693e-14
+Cn1sc(cc1=O)Cl,1.0
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,9.150277092093447e-28
+S=C=S,0.00031918694730848074
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,1.0
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,1.0
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,6.476274323676673e-14
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,3.93315721721927e-20
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,5.8004649694520793e-11
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,1.0
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.967926025390625
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,1.0
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+CCCC=O,8.18680418888107e-05
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.9999996423721313
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,1.0
+COc1cc(N)c(cc1N)OC,0.549630880355835
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9999493360519409
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,1.0
+O=C/C=C/c1ccccc1,0.9999923706054688
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6073600053787231
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.062346380203962326
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],4.1460845173757477e-13
+CCCC/C=C/C=O,0.9999920129776001
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,1.3321478036232293e-06
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],1.0
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,1.0
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,1.0
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8444026708602905
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.664434552192688
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,1.0
+O=NN(Cc1cccc(c1)OC)C,0.4118654131889343
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,1.0
+OC(=O)CN=N#N,1.0
+BrC(C1=C(Cl)C(=O)OC1O)Br,1.0
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,2.0094518361551614e-14
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,1.0
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,1.0
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,1.0
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],1.0
+COc1ccc(cc1)N,0.9999992251396179
+COCCOC(=O)c1ccccc1C(=O)OCCOC,4.573478097971706e-13
+N[C@@H]1CC[C@H](CC1)N,3.3860878510816317e-12
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,2.007328293984756e-05
+[N-]=[N+]=NCc1ccccc1,1.0
+O=C([C@@H]1OC1)Nc1ccccc1,1.0
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.9865374565124512
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,2.0414368112620096e-11
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.9999991655349731
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,2.210901258484178e-15
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.999875545501709
+COP(=O)(SC)SC,2.7204668639341234e-12
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,1.0
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.14597377181053162
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,6.5138294758071424e-09
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,4.130211904650512e-23
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,1.0
+C(Sc1ccccc1)CSc1ccccc1,3.283596015535295e-06
+O=C1CCCCC1,2.28558146773139e-05
+O=NN(Cc1cccc(c1)C#N)C,0.946349024772644
+OC(=O)CNCP(=O)(O)O,2.4830113551192745e-14
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,3.554552138740341e-11
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.5490503907203674
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],1.0
+COc1c2oc(=O)ccc2cc2c1occ2,2.202144605689682e-05
+O=C/C=C/C=C/C=O,0.9999906420707703
+ON(c1ccccc1)C(=O)C,0.9999990463256836
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.5179154872894287
+Cc1cc(=O)[nH]o1,2.0517989529622582e-09
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,1.0
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,1.0
+CCCOC(=O)c1ccc(cc1)O,9.342325664396646e-21
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],1.0
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,1.0
+BrCC1=C(Br)C(=O)OC1,1.0
+ClC(C(=O)C)Cl,1.0
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,1.0316852033134518e-16
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,1.0
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.7998224496841431
+ICCc1ccc(cc1)OCc1ccccc1,2.046872759819962e-05
+C=CN1CCCC1=O,1.3926308106704255e-08
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1.0
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.21343877911567688
+NC(=O)OC1CO1,0.9999998807907104
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8124150037765503
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3829428553581238
+COP(=O)(NC(=O)C)SC,1.2326061395520616e-12
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.8073418736457825
+OCCc1ccc(cc1)[N+](=O)[O-],1.0
+FC(=C(F)F)Cl,4.0181381336878985e-05
+C=CC(=O)OC(C)(C)C,1.922602702042475e-12
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,8.638323265586223e-07
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9964345693588257
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,1.0
+NNc1ccc(cc1)C(=O)O,0.9999998807907104
+Fc1ccc2c(c1)cccn2,0.9189273118972778
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,9.761072026538098e-18
+CN(C(=S)N(C)C)C,3.907033203631727e-07
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,1.0
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9999998807907104
+C=CCc1ccccc1OCC(CNC(C)C)O,3.3474913379433202e-12
+OC(=O)/C=C/c1ccc(cc1)Cl,2.3439333807218077e-10
+Cl[C@@H](C=C)CCl,0.9999990463256836
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,7.652800747695052e-30
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,1.0
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,7.769275967665556e-26
+CC(=O)Nc1ccc(cc1)N,0.36758700013160706
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,9.885836641219403e-21
+[O-][N+](=O)c1cccc(c1N)C,0.9965230822563171
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,1.781148843596047e-14
+OCCO,2.3662923922529444e-06
+O=C/C=C(\CCC=C(C)C)/C,5.375653095135002e-15
+[O-][N+](=O)c1cccc(c1N)N,0.9997671246528625
+CC(=O)NN,0.17381422221660614
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.0
+O=NN1CC[C@H](C1)O,1.0
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,1.0
+OCP(CO)(CO)CO,1.4804198755768994e-08
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,1.0
+COc1c2cccc(c2nc2c1cco2)O,0.8067161440849304
+CNN=NC,1.0
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,9.499781387464235e-18
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.00015898499987088144
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.0033373716618366e-26
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,6.668859908742775e-12
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,1.0
+[O-][N+](=O)c1ccc2c(c1)cns2,1.0
+COc1ccc2c(c1)C1CCCCC1C1C2O1,5.159602005733177e-05
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,1.0
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,4.480317247030578e-16
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,1.7597918565244743e-19
+COC(=O)CCCCC(=O)OC,0.16473063826560974
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,1.0
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,1.2312787021073746e-06
+ClCC(Cl)(Cl)Cl,0.966356098651886
+OC1CC2C(C1(C)CC2)(C)C,0.0002413517504464835
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,1.0
+OCCCNC(=O)C(C(CO)(C)C)O,9.499773412358081e-09
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,2.8536513596577606e-08
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.9995737075805664
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,1.0
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,1.898741458858341e-24
+CCCCCCCCBr,0.00015884845925029367
+Nc1ccc(cc1)N,0.9974272847175598
+Cn1c(N)nc2c1cc1ccccc1n2,0.940447211265564
+O=Nc1ccc(cc1)C(=O)C,0.999991238117218
+ONC(=O)c1ccc2c(c1)cccc2,0.9999998807907104
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,1.5396093658637255e-05
+Sc1ncnc2c1[nH]cn2.O,1.0
+CC(C(=O)N(Cc1ccccc1)C)Br,0.39217621088027954
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,1.0
+ClCCCBr,0.9732033610343933
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,2.5397221179446205e-05
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.9999791979789734
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,1.0
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.0007691640639677644
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.78419029712677
+CCOCCOCCOCC,0.9997177124023438
+COCCc1ccc(cc1)OCC(CNC(C)C)O,6.366286386949582e-10
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1.0
+ON(c1ccc(cc1)Cl)C(=O)C,0.9994756579399109
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9897500276565552
+CCOc1nc(ns1)C(=O)O,1.9292569278239746e-11
+NN(c1ccc(cc1)C)c1ccc(cc1)C,4.427638344850493e-08
+BrCC(=O)c1cccc(c1)OC,1.2951231553870457e-07
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,1.0
+CCBr,0.8498964309692383
+O=CC1=CCC(CC1)C(=C)C,1.553768411198941e-18
+BrC(C(Br)(Br)Br)Br,0.19899652898311615
+Nc1ccc(c(c1)C(=O)O)O,0.8082965016365051
+CC(NC(=O)Nc1ccccc1)C,3.584591662126463e-13
+O=C1c2ccccc2-c2c1c1ccccc1cc2,2.895743422826058e-09
+O=C(Cc1ccccc1)OCc1ccccc1,4.54694788765142e-12
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,5.9134745242772624e-05
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,2.0581796683627473e-11
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,6.817811481596436e-06
+CC([C@](C(=O)O)([C@H](O)C)O)C,4.5266278247448055e-13
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.9999359250068665
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,1.0
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,2.3601040826520814e-12
+NC(=S(=O)=O)N,0.002306023146957159
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.9999923706054688
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9999998807907104
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,1.0
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,1.0
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,4.449386992178006e-08
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,1.0
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,6.62218673994075e-12
+OC(=O)c1ccc(c(c1)Cl)Cl,8.194390943572216e-08
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.8064850568771362
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,1.0595786070714667e-15
+Nc1ccc(cc1)/C=C/c1ccccc1,0.9999997019767761
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.0006445572944357991
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.921345591545105
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],1.0
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.3340337872505188
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.6058582067489624
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],9.305318217714134e-21
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.9999998211860657
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,1.0
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,1.0
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,5.35214125622907e-13
+CN(N=O)CC,1.0
+COc1ccc2c(c1)nc([nH]2)N,0.9996970891952515
+CC1(CO1)C=C,7.744161756306767e-09
+NCCNCCO,0.9114078283309937
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,1.0
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9999402761459351
+NC(C(=O)O)COC(=O)C=N#N,0.9999997019767761
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.2005583494901657
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.17879459261894226
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,1.4164366185394678e-17
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,1.0
+ClC(c1ccccc1)Cl,5.881046490685549e-06
+Clc1ccc(cc1)CC1OC1,1.0
+BrCC(=O)c1ccc(cc1)c1ccccc1,5.720252147511928e-07
+OC1c2ccccc2Oc2c1cccc2,0.30669915676116943
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,1.0
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1.0
+C[C@H]1CC(=O)O1,1.0729152677413367e-08
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,1.0
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.0006263687973842025
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.9680858850479126
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,3.694188421832223e-07
+Clc1cnc2c(c1C)cccc2,1.3586786735686474e-06
+CC(=O)Nc1ccc2c(c1)nccc2,0.9999994039535522
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,1.0
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,1.925900717996234e-15
+OC(=O)c1occc(=O)c1O,0.0003350815095473081
+Cc1ccc(c2c1ccc1c2cccc1)C,0.9998200535774231
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,4.59388895702139e-26
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,2.7615154139237902e-21
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.9999893307685852
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,4.029587080678354e-11
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,7.770655843358184e-21
+CC(Cl)Cl,0.00091605941997841
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+O=NN(C(=O)N)CCC(=O)O,0.9544862508773804
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9999998211860657
+ClCCOP(=O)(OCCCl)OCCCl,1.0
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.0005888020386919379
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.9997025728225708
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,7.803414693390541e-15
+NCCc1c[nH]cn1,0.44733017683029175
+Oc1ncnc(n1)O,1.708168051450798e-10
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.9999984502792358
+C=CC(=O)OCCOC(=O)C=C,2.8418114216000046e-12
+CCOC(=O)NNc1nncc2c1cccc2,1.0
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1.0
+CC(=O)CCl,0.17696572840213776
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,8.648133798087771e-23
+C=CC(=O)c1ccc2c(c1)OCO2,0.04571817070245743
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,1.2949239192039386e-07
+O=NN1CCOC(C1)O,1.0
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.7987504005432129
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,1.0
+COc1ccc(cc1)CC=C,1.3149156075087376e-05
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,2.4621299600903826e-15
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,2.9441759360343545e-13
+Cn1cccc1,5.805846825523986e-08
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,1.0
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,2.4792415502842245e-14
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1.0
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9999984502792358
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.990552544593811
+CN(N)C,0.013252866454422474
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9999767541885376
+Cc1ncc(nc1)C,5.178919195714116e-07
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,9.11779483997929e-17
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.5490503907203674
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,3.740661599915818e-11
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,1.071344889972542e-14
+Nc1cccc2c1c1ccccc1cc2,0.9984816312789917
+ClC1OC1CBr,1.0
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,1.890978354262239e-14
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,2.871596153635057e-29
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.9973710775375366
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.00013917844626121223
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,1.0
+O=CC1=CC[C@H](CC1)C(=C)C,1.553768411198941e-18
+COP(=S)(SCC(=O)NCC=O)OC,0.7819339632987976
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,1.6398437610692879e-21
+OC(=O)C1CSSC(C(=O)N1)(C)C,5.760459936425142e-19
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,4.5137556980989757e-07
+Cc1ccc(cc1)Cl,1.2874611099444877e-10
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],8.079522828552399e-09
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.658257782459259
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,1.0
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.7946904897689819
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,9.338691597804427e-09
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.9999997019767761
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.9999982714653015
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,1.0
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,1.0
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,4.630024120176601e-13
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.9999998807907104
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.9999973177909851
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,1.0
+Nc1nc(N)nc(n1)N,1.4734868436505622e-08
+n1ccc(cc1)c1ccncc1,0.001293793204240501
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.00026925024576485157
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.9999969601631165
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,1.0
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,9.592227456778346e-09
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.9999810457229614
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.036447230726480484
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.00011155973334098235
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.9999626278877258
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,1.0
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,5.382999916037079e-06
+Nc1ccc2-c3c(Cc2c1)cccc3,0.9999955892562866
+CCOC(=O)N(N=O)CC,1.0
+C[C@H](CN(C[C@H](O)C)N=O)O,1.0
+COP(=O)(OC)C,0.017405793070793152
+CN[C@H](Cc1ccccc1)C,0.2057138979434967
+[O-][N+](=O)c1cccc(c1O)N,0.5410988926887512
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,1.2368629453973767e-09
+OC(=O)c1cccc(c1N)O,2.030412282749694e-09
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,4.028691876628576e-12
+Nc1ccc(cc1)Nc1ccccc1,0.7891322374343872
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1.0
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,1.1194786964097148e-07
+CNc1ccc(cc1)O,0.1957654058933258
+C=CCc1cc(OC)c2c(c1)OCO2,1.5002199135749628e-11
+Cc1cc(N)c(cc1C)C,0.9999957084655762
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,4.927838634382915e-15
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,9.361388053630293e-11
+O=C1CCCCCCCCCCCCCCO1,2.8200506166364825e-11
+COC=C,0.9999998807907104
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,4.107093484750912e-11
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,9.913331989071347e-18
+ClCc1cccc(c1)[N+](=O)[O-],0.49557510018348694
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.9946640133857727
+Clc1cccc(c1)Cl,2.974165913549598e-10
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.19810083508491516
+Cc1ccccc1OC[C@H]1CO1,1.0
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.006144819315522909
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,3.3214892027899623e-06
+Clc1ccc2c(c1)cccc2,0.9999779462814331
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9999934434890747
+ClC(C(=O)C(Cl)Cl)Cl,0.9999980926513672
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,1.0
+OC1=CC(=O)C1=O,4.458099254339709e-12
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,6.645268536831228e-12
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.2533048391342163
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9999998807907104
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.006262629292905331
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.9999707341194153
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,1.0
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.20188350975513458
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,1.6893300198717043e-05
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.9952713847160339
+Cc1n[nH]c(=O)[nH]c1=O,0.6963498592376709
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,1.4447904277403723e-06
+CCCCCCCCOC(=O)C(=C)C,4.7119545678459e-13
+OC(=O)CCN[N+](C)(C)C,1.2952425549883628e-06
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,9.614600725630284e-20
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.9999996423721313
+Clc1ccc(cc1N)C(F)(F)F,6.974019584049529e-09
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.18232807517051697
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.00617047818377614
+Nc1ccc2c(c1)oc(=O)cc2C,0.018323536962270737
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,1.0
+CC(=C)c1ccccc1,0.9999939203262329
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+Cc1ccc(cc1)[N+]#N,0.9999611973762512
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,1.0938124017645379e-10
+Oc1cccc(c1)Nc1ccccc1,0.6094743609428406
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.720502495765686
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,2.3045735766385695e-18
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1.0
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,1.752716244710073e-12
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,1.0
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.9999863505363464
+Cc1cccc2c1-c1ccccc1C2C,1.0
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,3.069101217085797e-23
+ONc1cc(C)cc(c1)C,1.0
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.999947726726532
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,5.611651032799776e-23
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,2.951542046503164e-05
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,1.0
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.999383270740509
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.8538252115249634
+O=Cc1ccc(cc1)[N+](=O)[O-],0.9999998807907104
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.9999133348464966
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,1.0
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9999998807907104
+Oc1ccc2c(n1)cccc2,0.203679159283638
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9999996423721313
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.8094199895858765
+NCCO,0.012050685472786427
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.3725138306617737
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,9.50731680882111e-13
+Fc1cccc2c1cccn2,1.0
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,7.320648427733278e-12
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.10708737373352051
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.999986469745636
+COc1ccc(cc1C(C)(C)C)O,1.4747585612559164e-14
+CCCCCCCCC,6.299211463556276e-07
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1.0
+Clc1c(O)cccc1Cl,5.161856185542657e-12
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,7.224186526766374e-11
+[O-][Cl](=O)(=O)=O,0.0005841163219884038
+CCOC(=O)C(Br)C,1.0
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,1.0
+Cc1cc(C)c(c(c1)C)N,0.4201722741127014
+BrCCCCCCCC(=O)O,0.2947191596031189
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,1.6050576210031997e-17
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.9997946619987488
+CC1=CC(O)C2CC1C2(C)C,3.627584859919664e-18
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,4.151078246650286e-05
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.3826446533203125
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,1.0
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,1.0
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7902899980545044
+OC(=O)O.[K+].[K+],2.3287505279169507e-13
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],1.0
+Cc1ccc2c(c1)nc(n2C)N,0.9999960660934448
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],1.0
+CCC[C@H]([C@H](CO)CC)O,8.259666174126323e-06
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,3.600466685861267e-14
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.999906063079834
+CN(C1CCCCC1)C,1.46404777190412e-10
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,1.0
+COc1c(N)cc(c(c1C)N)C,0.003283857833594084
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,1.0
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1.0
+Cl/C=C/CSCC(C(=O)O)N,0.9957493543624878
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,2.4100175188834783e-09
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.9999996423721313
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.4167953133583069
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,7.479341952413855e-17
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,1.0
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.9999923706054688
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,1.0
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,9.442888094721158e-13
+CCS,0.0012385215377435088
+[O-][N+](=O)c1ccccc1C(F)(F)F,5.76572638522066e-08
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.00026925024576485157
+CCC(CO)(CO)CO,0.9999995231628418
+CCCCCCC=O,2.1404073180519845e-08
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],3.1802793731827705e-10
+CN([N+](=O)[O-])C,0.9996329545974731
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.9999998807907104
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.10490956157445908
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,1.0
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,1.0
+COC(=O)CCCC(=O)OC,0.1948206126689911
+O=Cc1ccc(cc1)Cl,1.1517566499190607e-15
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.999998927116394
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],1.0
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,2.8608569664356764e-06
+OCCN(CC)CC,0.3144751489162445
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.8000475168228149
+COC(=O)C(=C)C,0.009261062368750572
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,5.805588384271655e-23
+CC1(CO1)C(=O)N,0.9991060495376587
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.9999890327453613
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,5.591265352395927e-22
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,9.442888094721158e-13
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,4.0814903456976026e-08
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1.0
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,9.644256095005034e-29
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,3.3305254448188453e-20
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,1.0
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,9.021625402283462e-08
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,2.471821971994359e-06
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.9999946355819702
+CC(S)C,3.3173587326018605e-06
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,2.127825064235367e-05
+C[n+]1c2ccccc2nc2c1cccc2,0.9999736547470093
+CCOC(=O)[C@@H](C(=O)C)Cl,1.2286206123660048e-14
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1.0
+COC(=O)C(Cl)Cl,0.7993346452713013
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,4.2603581107414357e-08
+CCCC(=O)C,3.806185323651035e-15
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.3066687692248578e-14
+CC(=C)C(=O)OC(C)(C)C,2.1493110580195207e-06
+[O-][N+](=O)C(C(O)C)C,4.9090083109604166e-08
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.6062196493148804
+c1ccc(cc1)N/N=N/c1ccccc1,0.4118613302707672
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,3.075549102909579e-16
+Cc1cc(ccc1N)c1ccccc1C,0.9999996423721313
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,1.1369692174412194e-06
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,2.9359598519712593e-12
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,1.0
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+OC(=O)c1ccc(cc1)N,0.07654781639575958
+c1ccc2c(-c3ccccc3C3C2N3)c1,1.0
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,4.303453045331123e-18
+COC(=O)C(Cl)C,8.463243284495547e-05
+C[Si](O[Si](C)(C)C)(C)C,7.227725085101611e-09
+CCCCBr,0.5768759846687317
+OOC(N=NC)(C)C,0.9867164492607117
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.9999936819076538
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9997421503067017
+OCCOc1ccccc1,5.824051635926197e-13
+O=c1[nH]ncc2c1cccc2,1.0484051201785274e-14
+CC(=O)Nc1cccc2c1cccn2,0.9999982714653015
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,5.1188470786178215e-17
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,1.0
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,1.0
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,7.470624813210591e-11
+COc1cc(ccc1O)C(=O)C,1.264525280930684e-06
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,8.495044305757108e-16
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.6193243861198425
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,5.661238975714553e-20
+[O-][N+](=O)c1ccc(c(c1)O)N,0.9999998211860657
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],1.0
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,2.2613295564912746e-19
+CC(c1cccc(c1O)C(C)(C)C)(C)C,8.103665003302615e-15
+c1ccc(cc1)c1ccccc1OCC1CO1,1.0
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,2.152014108242469e-29
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,3.3474913379433202e-12
+COCOC,1.2922297401019023e-06
+Oc1cc(=O)[nH]c(n1)N,2.1729317021927652e-13
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,1.0
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.9484065771102905
+c1ccc(cc1)NN=Nc1ccccc1,0.4118613302707672
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,3.216979971502136e-28
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,1.7994983353846096e-19
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],1.0
+CCOO,0.5490257143974304
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,3.113878392468905e-06
+CCOC(=O)N,0.038621000945568085
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,1.0
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,1.0
+Fc1ccc2-c3c(C(c2c1)C)cccc3,1.0
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.9999497532844543
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.17862340807914734
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],1.0
+CCc1nn(c(c1Cl)C(=O)N)C,7.155568902281819e-17
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,6.467544663745606e-25
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,8.167260602931492e-06
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,2.434397423770919e-14
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,1.0
+CC(=O)OCCOCCOCCOC(=O)C,0.9890466928482056
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,1.2832519335342907e-12
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.9998470544815063
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.3985040783882141
+Oc1ccc(c2c1cccc2)O,0.0028135136235505342
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,2.4792415502842245e-14
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+CCCCCCCCCCCCCCCCN,6.921288076000565e-08
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,1.0954754898345742e-12
+Cc1ccccc1N,0.9999815821647644
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,1.0
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,1.0
+CCCCCCCCO,2.0326540797754866e-11
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,1.117463977333314e-20
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.010611100122332573
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.9680858850479126
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.20579108595848083
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,3.373320706559133e-18
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,1.0
+CN(/N=N/c1[nH]cnc1C(=O)N)C,1.0
+OCc1ccc(cc1)Br,7.287310742364918e-15
+O=c1nc[nH]c(=O)[nH]1,5.213837608181171e-12
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.5626295208930969
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,8.506155869613161e-26
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,1.0
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.35751378536224365
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9996770620346069
+BrC(=C)C=O,0.9999998211860657
+Clc1nncc2c1cncc2,7.469986738209227e-16
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,3.537722853304047e-18
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,1.0
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,1.0162631420938947e-15
+O=NN1CCC(=O)CC1,1.0
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],1.0
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1.0
+N#Cc1ccc(cc1)C,1.5168684017186074e-11
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.6167909502983093
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,1.1571093475742922e-14
+O=NN(c1ncn(c1C(=O)NC)C)C,1.0
+CC(Nc1snc2c1cccc2)C,1.4240293839951068e-11
+C=CCCC1CO1,1.0
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.5095134973526001
+Nc1nc2c([nH]1)cccc2,0.3625553250312805
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,6.030128929523926e-07
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,3.950334237647719e-15
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,1.292243568125194e-32
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.0028346306644380093
+CCCN(CCCC(=O)O)N=O,1.0
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,9.519533078483633e-11
+OC(=O)O.[Ca+2],2.7282165242226153e-12
+OCCCBr,0.8333144187927246
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],1.0
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,1.0
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.4066549241542816
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.9999940991401672
+ClC(C#N)Cl,5.211189272813499e-05
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,6.97821303118333e-26
+OC(=O)CCC(=O)O.[Na+].[Na+],8.641349324989278e-08
+CCSCCOP(=S)(OC)OC,0.4074994921684265
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,4.729623260972354e-27
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.3574073314666748
+OC(=O)CCC(=O)O.[Na+],8.641349324989278e-08
+ClCCCl,0.6982358694076538
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,1.0
+OC(c1ccccc1)CN=N#N,1.0
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.5361461639404297
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.8451986312866211
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1.0
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,4.94976837295269e-11
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1.0
+O[C@@H]1OC(=O)C(=C1C)Cl,1.0
+CC/C=C/CC/C=C/C=O,0.9997478723526001
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,3.1746957968321536e-32
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+CC/C=C/C,2.084687366732396e-06
+CSc1cc(SC)c(c(c1N)C)N,0.9514134526252747
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,1.0
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,1.7901953469845466e-05
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,2.8711115944288812e-21
+CNc1nc(OCC(F)(F)F)nc(n1)N,2.3543886678731973e-19
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.999998927116394
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.02133045345544815
+CNc1nc(C)c(c(n1)O)C,1.3296679313157256e-09
+N1C(=O)C(=N#N)C=NC1=O,0.9999998807907104
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,2.493818256740554e-16
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,1.804449269844681e-21
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,4.342683678260073e-05
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.000624260981567204
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,8.447307794662989e-14
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,8.367249115792674e-09
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,6.638497477423622e-12
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,1.1876966077295492e-08
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.9992367029190063
+Nc1cnc2c(c1C)nc1n2cccc1C,1.0
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.9999983906745911
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,1.0
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,1.0
+Fc1cc2cccnc2c2c1nccc2,1.0
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.00582545530050993
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.00020683035836555064
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.5889275670051575
+O=CN(c1ccc(cc1)c1ccccc1)O,0.9896173477172852
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],1.0
+Cc1c(N)c(C)c(c(c1C)N)C,0.0326889343559742
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,1.0721130820456892e-05
+C/C=C/c1cccc(c1OC)OC,2.2560698198503815e-07
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.9994150400161743
+OC1OC(=O)C(=C1C)Cl,1.0
+NCCNCCNCCN,0.9999849200248718
+BrCCOC(=O)C=C,0.9999997019767761
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,1.0
+OC(=O)C(CC(=O)O)CC(=O)O,0.04214039817452431
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,3.9191321299369974e-09
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,6.316451323857221e-20
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,1.387611094727669e-16
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9999998211860657
+ClC(=C(Cl)Cl)CS(=O)(=O)O,1.1334670489304699e-05
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.9973565340042114
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.4936542510986328
+c1ccc2c(c1)nc1c(c2)cccc1,0.3174050450325012
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.9986438751220703
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,5.8321820262108304e-08
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,1.6282737842970137e-22
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],3.026265815719853e-08
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,1.0
+Cc1ccc(cc1C)S(=O)(=O)O,3.145511300317594e-07
+CC(C(=O)Nc1ccccc1)C,0.0632486343383789
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,1.0
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.9941185712814331
+CC(Br)(C)C,1.3639224505368475e-07
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],1.0
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.00046871983795426786
+N[C@@H]1CCC[C@H](C1)N,1.4973173742549584e-11
+N#CC(=Cc1ccccc1Cl)C#N,0.06883788853883743
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,1.0
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,3.335214049382529e-11
+CCCCC(=C)C=O,0.997766375541687
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,3.754606586880982e-05
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,1.2503921667268755e-18
+BrCc1ccc(cc1)Br,5.4198763532742333e-11
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9999996423721313
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.9999994039535522
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,2.286300743316967e-16
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,3.8922649991945946e-07
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.6449061632156372
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,1.0
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,1.5681629605968084e-10
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,1.0
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+c1ccc(cc1)c1ccccc1c1ccccc1,0.999981701374054
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,3.0006248035601996e-15
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,5.893866557998839e-12
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,1.0
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.9999814033508301
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,1.0
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.7882975935935974
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,1.0
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9999988675117493
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,2.775101654549361e-13
+Clc1cccc(c1)C(=O)O,0.13885651528835297
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9999983906745911
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,2.292679379678475e-10
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.6007916927337646
+O=NN(Cc1cccc(c1)Br)C,0.9995153546333313
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.9949752688407898
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.7008646726608276
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.1879129707813263
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,1.0
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.9999998211860657
+ClNc1nc(NCl)nc(n1)NCl,1.6295964542223373e-06
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9999970197677612
+OC(=O)/C=C/C=C/C(=O)O,2.7612588837655494e-07
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,1.0
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,1.9727804101421498e-07
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,1.3522644892480858e-15
+NNc1ccccc1,0.9999998807907104
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,2.3112270171305295e-15
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],8.045203098648672e-19
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,1.8713045918906308e-19
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,3.347954873333947e-07
+FC(Cl)(Cl)Cl,0.001054552267305553
+C=COCC(F)(F)F,2.6871154606977754e-11
+NCCc1c[nH]c2c1cc(O)cc2,0.1023789644241333
+OCCc1cn(c2c1cccc2)N=O,1.0
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9999992251396179
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.9999979138374329
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,2.673680299380976e-08
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.9999983906745911
+COC(CCOC(=O)C)C,3.647791686489654e-07
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,1.0
+Cc1cccc(c1)C(=O)Cl,0.9999968409538269
+O=C/C=C/C=O,0.998969554901123
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,1.1423711754332544e-07
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1.0
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,1.2292954421915934e-18
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,4.907405645043772e-12
+CCN(C(=O)c1cccc(c1)C)CC,1.1955387241714514e-14
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],1.0
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,1.0
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.9999993443489075
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,1.0
+Fc1ccc(c2c1nccc2)F,1.0
+Cc1cccc2c1-c1ccccc1[C@@H]2C,1.0
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.9999834299087524
+COCCO,0.0008327863179147243
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,1.0
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,8.2772994730064e-14
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.0001257879484910518
+Cc1cc2ccccc2c(c1)C,0.00048781634541228414
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,1.0
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.0001405787334078923
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,2.8417950493230696e-23
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,1.0
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,4.3707636621093116e-08
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,3.3326363587174446e-13
+CN(CCN(C)C)C,6.462707915488863e-06
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.9974046945571899
+OC1C(O)C=Cc2c1cccn2,5.433239578730986e-13
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1.0
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,1.0
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,1.0
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,2.31341855394529e-11
+COc1ccc2c(c1)oc(=O)cc2CBr,0.20050004124641418
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],1.0
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+ClC(=C)C=O,1.0
+C[C@H](C(=O)Nc1ccccc1)Br,1.0
+c1cc(OCC2CO2)c2c(c1)cns2,1.0
+Cc1ccc2c(c1)nc([nH]2)N,0.03173059597611427
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,3.084492217197976e-09
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.005033200606703758
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,1.0
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,1.327346485172697e-19
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,1.0252861605645211e-15
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.0003287584986537695
+C/C=C\C=C/C(=O)O,1.0911499481736087e-09
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9999998807907104
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,1.0
+N[C@@H]1C[C@H]1c1ccccc1,0.0004223841242492199
+Cc1c[nH]c(=S)[nH]c1=O,7.850308736401246e-10
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.22481413185596466
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9999998211860657
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,1.0
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,7.585760175768233e-22
+OS(=O)(=O)ONNCCc1ccccc1,0.32575753331184387
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.999998927116394
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,7.052846194710582e-05
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,1.0
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],1.0
+[O-][N+](=O)c1cc2c(cc1)ncn2C,1.0
+C[N+]1(C)CCCCC1.[Cl-],2.882611413023567e-13
+Cc1nsc(c1)N.Cl,1.0
+COc1cccc2c1nc1occc1c2OC,1.0
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,1.8123035624290074e-13
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,1.2096284911222721e-11
+Oc1ccc2c(c1)nc(n2C)N,1.0
+Oc1ccc(c(c1)O)O,1.671030986472033e-05
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.995733916759491
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9999973177909851
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,3.3772298291268044e-09
+CCCC[C@H](CO)CC,1.9451367183620505e-09
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,5.404544367593189e-09
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,6.048422619642224e-06
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,1.3304267554303806e-07
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,1.4424776395571826e-07
+OC(=O)COc1ccc(cc1)Cl,1.1464092175561547e-10
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,1.3033674139961704e-09
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,1.0
+Fc1cnc2c(c1)cc(c1c2cccc1)F,3.529743116814643e-05
+O=C1OCC1(C)C,0.6822632551193237
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,3.6129720092439865e-13
+ClCSP(=S)(OCC(C)C)OCC(C)C,7.686655913232305e-17
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.999997615814209
+BrCCCCCBr,0.868500828742981
+[N-]=[N+]=C1C=NC(=O)NC1=O,1.0
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1.0
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6386561393737793
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,1.0
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,1.0
+O=C1CCCN1C,9.663428500061855e-06
+ONC(=O)CNC(=O)c1ccccc1,0.6123213768005371
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.9999942779541016
+P,4.4325969383862684e-07
+CCCC[N+](=O)[O-],2.0605823713992777e-09
+OC(=O)[C@H](O)C.[Na+],8.416165984612145e-13
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,2.2630052196851054e-16
+COC(=O)CCl,8.457217148816198e-08
+Nc1ccc2c(n1)cccc2,0.9998043179512024
+ClC(=O)OCc1ccccc1,2.3646741453831055e-08
+CCOC(=O)c1ccccc1N,4.024931513413321e-06
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.9999860525131226
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,1.0
+O=NN1CN2CN(C1)CN(C2)N=O,1.0
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,9.10021058508903e-10
+CCCC(=O)OCC,5.466823495225981e-05
+ClC(=C1C=CC(=O)O1)Cl,0.21563808619976044
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9855775833129883
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.9999123811721802
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.9999998211860657
+CCC(=O)C,5.793573398804597e-10
+O=C1C=C(C)C(=O)C(=C1)C,9.312394605442975e-11
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.6232686638832092
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.12087839841842651
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,1.4851782523532704e-15
+O=NN1CCCN(CC1)N=O,1.0
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.9954447746276855
+N#Cc1ccc(cc1)C(=O)O,2.869928117377185e-08
+CCN(c1ccc(cc1)N=O)CC,0.9980403184890747
+Cc1ccc(c2c1n(C)c1c2cccc1)C,1.0
+Nc1ncc2c(n1)nc[nH]2,3.3710123581442986e-09
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,1.0
+O1C[C@@H]1[C@@H]1OC1,0.9999977946281433
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,1.0
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.0
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,1.0
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,2.449783274446553e-27
+OC(=O)[C@H](Br)Cl,0.0004977056523784995
+CC(=O)N(c1snc2c1cccc2)C,4.154165799263865e-05
+OCC1OC(CC1O)n1cnc2c1ncnc2N,7.051374382172071e-07
+[O-][N+](=O)c1ccccc1,0.911063551902771
+Clc1ccc(cc1)S(=O)O,6.962146414934978e-08
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,2.595085334178293e-06
+COc1c2ccccc2nc2c1cco2,0.9999947547912598
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.0005372407613322139
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,1.0
+OCc1c2ccccc2c(c2c1cccc2)C,0.9839871525764465
+Fc1cnc2c(c1)c(F)ccc2,0.9999593496322632
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,3.7939553003637004e-29
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,1.0
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+O[C@H](C(=O)c1ccccc1)c1ccccc1,1.9798068962018078e-08
+OCc1ccc(o1)C=O,2.5880959583446383e-05
+OCCN=N#N,1.0
+CCCCC#N,9.858409200091955e-09
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,9.177162543799925e-19
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.9999988675117493
+Clc1cccc2c1nccc2,0.16621899604797363
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,1.0
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9999990463256836
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.0016751966904848814
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,1.0
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,9.396159544872162e-11
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,1.0
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,1.0
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9999996423721313
+[O-][N+](=O)c1ccc2c(c1)ncn2C,1.0
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.9463663101196289
+O=C1NC(=O)NC(=O)C1(O)O,0.11499424278736115
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,1.0
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.10577043145895004
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,6.164714599259449e-14
+c1ccc(cc1)NNc1ccccc1,0.9418660402297974
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.9999986886978149
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,1.272957653837322e-18
+N#[N+]c1ccc(cc1)[N+](=O)[O-],1.0
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,5.262069180389517e-07
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.19224174320697784
+Oc1ccc(cc1N)S(=O)(=O)C,0.7642485499382019
+O=C1NCNC(=O)N1,8.966353198047727e-05
+C=CC(=O)N1CCN(CC1)c1ccccc1,4.7866342356428504e-05
+NN(C(=O)C)C(=O)C,1.5192211321846116e-05
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.41558322310447693
+CCCCN(CCC(=O)C)N=O,1.0
+OC(=O)c1ccccc1C(=O)O,1.0671222128166846e-07
+c1ccc2c(c1)c(OCC1CO1)ccc2,1.0
+ClC/C=C/Cl,1.0
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,1.0
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9999970197677612
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.9984121322631836
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,1.4464299624705745e-07
+O=C1C=Cc2c(C1=O)cccc2,0.45401185750961304
+C=CCc1ccc(c(c1)OC)O,0.1855081021785736
+CC(c1ccccc1)CN=N#N,0.9999992251396179
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1.0
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,2.943525032605976e-07
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,7.572283392183763e-20
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],1.0
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.17701077461242676
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,2.592002054358219e-22
+O=CC=C(Cl)Cl,0.6991313099861145
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.1941383332014084
+Clc1cc(O)c(c(c1)Cl)Cl,9.648973108141931e-14
+CC/N=N/O.[K+],0.6375640630722046
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,1.0
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1.0
+CC(=C)C(=O)OC[C@@H](CBr)Br,1.0
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,4.41480272271903e-18
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,1.0
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,9.515052455796522e-14
+C1CC2OC2CCC2C1O2,0.005066947545856237
+ONc1ccccc1c1ccccc1,1.0
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.7998107671737671
+O/N=C/c1ccncc1,0.29025998711586
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,1.5204247603030317e-22
+ON1CN(Cl)CN(C1)Cl.[K+],4.162950366370932e-12
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.0012143056374043226
+[C-]#[O+],0.0019823627080768347
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,1.3077752214485372e-07
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.9830901026725769
+CCSC(=O)Cl,0.9634037017822266
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.0005381086957640946
+O=Nc1[nH]cnc1c1ccccc1,1.0
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,1.0
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,9.168196939935616e-18
+NCCC#N,0.0029518273659050465
+O1CCC2(CC1)CO2,0.000621655723080039
+Cl[C@@H](C(F)(F)F)Br,1.922488445416093e-05
+OCCCCCl,7.317344596913244e-08
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,1.0
+ClCC(CCl)O,0.6205575466156006
+CCCCCCCCCC[C@@H]1OC1,7.966656994540244e-06
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,4.633512323826139e-12
+OC(=O)C[N+](C)(C)C,7.624889803992119e-07
+BrCC1=C(Br)C(=O)OC1O,1.0
+OC(=O)CCCC(=O)O,1.290509771934012e-06
+Nc1nccs1,0.9978602528572083
+Nc1ccccn1,0.9999958276748657
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.9999973177909851
+FC(C1=C(C=N[N]1)C(=O)O)F,1.1833408279926516e-05
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.9999923706054688
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],1.0
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],3.0243661797157984e-08
+SC[C@@H](C(=O)O)NC(=O)C,0.013889314606785774
+CCOC(=O)CC(C)C,0.07070434838533401
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.6878312230110168
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,1.581876008413493e-18
+O=NN1CCCC1,1.0
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.19148167967796326
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.6726864576339722
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,4.4160013074266195e-17
+C[n+]1ccc(cc1)c1ccccc1,1.5086003486430855e-06
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,1.0
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,4.5450329366758524e-07
+O=C1CCCCCO1,1.1787276932295754e-08
+Cl/C=C\Cl,0.4640100598335266
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,2.4193603019681976e-15
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,1.0
+CN(P(=O)(N(C)C)N(C)C)C,0.9991729855537415
+CCNC(=O)CCC(C(=O)O)N,7.706648652572312e-09
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,5.900570310135578e-11
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.0004548298311419785
+Oc1ccc2c(c1)nccc2,0.0032028560526669025
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,9.940358264123662e-22
+COc1ccccc1CC1CO1,1.0
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,1.404013450639896e-11
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,1.2777996163341326e-13
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.4837852418422699
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,4.1971484621150523e-10
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,2.6770016275691658e-21
+CC(c1ccc(c(c1)O)C)C,1.6010460967663676e-05
+Nc1nnc(s1)S,3.516652213875204e-05
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.4789048731327057
+CCN(/C(=N/O)/C=O)N=O,1.0
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.9999921917915344
+CC(=O)Nc1ccc(cc1)C(=O)O,0.2085474729537964
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,1.0
+Oc1cc2ccccc2c2c1cccc2,0.6598922610282898
+Oc1ccccc1Cl,6.1868994372105135e-09
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,3.275163749094645e-07
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,1.0
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,4.234918249683851e-15
+NCC=C,2.1554119484790135e-06
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],1.1612897806658708e-25
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.9956597089767456
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,5.573465625995027e-18
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,1.0
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.9999929666519165
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,8.816387619958732e-09
+COc1cccc2c1OC1(C2(C)OO1)C,0.7545213103294373
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],1.0
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,1.0
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.9999798536300659
+CC(CC(O)C)C,1.1079326345253548e-09
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,2.0471979146619024e-12
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.9999920129776001
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.9999991655349731
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,1.0
+OC(=O)c1ccccc1,6.525620119646192e-05
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.999961256980896
+CCCCCNc1snc2c1cccc2,1.0138729855668771e-09
+ClCCl,0.002400951460003853
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,1.0
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1.0
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.9999980926513672
+C(C1OC1)CC1OC1,0.9999998807907104
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,4.7647707106079906e-05
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9999996423721313
+C=C1CC(=O)O1,1.6019215763662942e-05
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1.0
+CCOS(=O)(=O)c1ccc(cc1)C,0.4858933985233307
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,5.352513432477224e-10
+CSC(/C=N\O)(C)C,3.0628884845063098e-12
+CCN(C(=S)SCC(=C)Cl)CC,1.4958902738726465e-06
+COC1=CC=CC=CC1,0.8043004870414734
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.9999930262565613
+OC(=O)c1c(Cl)cccc1Cl,1.3980010926673003e-08
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,3.6610773907348846e-31
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.5928063988685608
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.20109853148460388
+Oc1ccc(c(c1)C)C,1.4332970366126574e-08
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,1.0
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.6598922610282898
+CCOc1ccc(cc1N)N,0.9786304235458374
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,1.0
+CCN([N+](=NO)[O-])CC,0.542616069316864
+OC(=O)c1ccc(cc1)C,4.510950901703836e-08
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,5.095354822515219e-07
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,1.409414096542605e-07
+OC(=O)CCl,0.17968471348285675
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.9651567339897156
+Oc1ccc2c(c1)cccc2,0.8776738047599792
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,1.0
+CCc1ccccc1O,0.007469017058610916
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,1.5927884566934622e-27
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,3.7944923428695457e-20
+Clc1ccccc1Cl,9.467473319091368e-06
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.0001514968171250075
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.06519416719675064
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,4.056273095187635e-09
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.6587830781936646
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,1.6183010487225147e-09
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1.0
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.9999998211860657
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.021536976099014282
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,1.0
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.18884313106536865
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.9999929666519165
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,1.2920660374948767e-10
+Cn1c(N)nc2c1cccc2,0.9999977350234985
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,1.504371349714262e-10
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,1.0
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,2.855710408766754e-05
+Cn1ncc(c(c1=O)Cl)N,4.400448960950598e-05
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.6007916927337646
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.9999637603759766
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.9999862909317017
+CCOc1cccc(c1)[N+](=O)[O-],0.9998062252998352
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,1.156433171760411e-16
+BrC1=C(Br)C(=O)OC1,0.9998744130134583
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.9946290254592896
+ONc1nc(N)nc2c1nc[nH]2,1.0
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.9022935032844543
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,1.2360852359033503e-12
+O=NN1CCC[C@@H](C1)C,1.0
+O(Cc1ccccc1)C[C@H]1OC1,1.0
+OC1CCN(CC1)N=O,1.0
+O=Nc1ccc(cc1)c1ccccc1,0.9999998807907104
+CN(c1ccc(cc1)N(C)C)C,0.032103005796670914
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.45587629079818726
+CN/N=N/C,1.0
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,1.0
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9999993443489075
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,8.828323427743116e-27
+Nc1cc2cccc3c2c2c1cccc2cc3,1.0
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,1.0
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,1.0
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.0
+COc1cc(/N=N/c2ccccc2)ccc1N,1.0
+C=CCOC(=O)CC(C)C,0.7879199981689453
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,1.0006150554263188e-15
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,1.0
+COc1ccc(cc1)N=O,1.0
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,1.0
+OCC#C,2.214128214106381e-09
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,1.0
+CCCCCCCCCCCCCC[C@@H]1OC1,7.966656994540244e-06
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,3.8578071604427395e-25
+Cc1ccc(cc1)OC[C@@H]1OC1,1.0
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],3.9690788850021974e-11
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.7773770093917847
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,1.2423585758369882e-05
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,1.0
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,1.7311696453304216e-22
+Oc1cccc(c1C)O,0.9425687789916992
+O=C(C(=O)c1ccccc1)c1ccccc1,1.3020151357068244e-07
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.9999998807907104
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,7.863375506289572e-10
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.22658109664916992
+[O-][N+](=O)c1ccc(c(c1)N)O,0.9999979138374329
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],1.0
+Cn1c2ccccc2c2c1cccc2,1.0
+O=C(c1ccccc1)c1ccccc1,0.20150700211524963
+COc1nncc2c1cccn2,5.270962702766391e-14
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,1.0
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9422860145568848
+Nc1cc(Cl)c(c(c1)Cl)N,2.1110486159159336e-07
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.3657963275909424
+CCCC[C@H]1CO1,7.966656994540244e-06
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,1.1289850998519313e-10
+CN,1.4447027751884889e-06
+Oc1c2ccccc2nc2c1cco2,0.20689761638641357
+OCOC(C)(C)C,8.90677074494306e-06
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,3.3504385255963524e-21
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,3.4783982982844464e-07
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,6.236456098194138e-17
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.9999860525131226
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,1.0
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,1.0
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9999977350234985
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,1.0
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,1.0
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,1.0
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,1.0
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.00039745966205373406
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1.0
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.9999990463256836
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.006418183445930481
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.999997615814209
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,8.611967132310383e-06
+[O-][n+]1ncc2c(c1)ccnc2,7.632707400145877e-14
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.9999988675117493
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6424353122711182
+Cc1cccc2-c3c(C(c12)C)cccc3,0.9999988675117493
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.40919309854507446
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,1.0
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],1.5204369707699783e-10
+ClCC[N+](C)(C)C.[Cl-],1.4200961517829569e-09
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,2.1839712863320173e-21
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,7.235936936922371e-05
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.0031420630402863026
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,1.0
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,2.5566525256158887e-18
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,1.0
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,7.888186814852816e-08
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,1.0
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.999997615814209
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9999998807907104
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],1.0878524171311244e-18
+CC(=O)OC[C@@H](CO)O,0.7993083596229553
+BrCC#C,1.5081264791660942e-05
+OCCCCN(N=O)CC,1.0
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,3.643473855952095e-10
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.6445509791374207
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,1.9727804101421498e-07
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,1.0
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.9999994039535522
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,1.0
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,1.0
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],1.0
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,1.0
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.9490617513656616
+O=C/C=C/C(O)C,1.0
+Clc1ccc(cc1)S(=O)C,1.7069079304285126e-14
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.07182276248931885
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,1.0
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,7.91246748121921e-06
+CCCCN(CCCC)CCCC,1.051705353916077e-07
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,1.0935192638547586e-13
+C#CCOCC[n+]1ccccc1/C=N/O,1.5191740552165933e-13
+ClCC1=CC(=O)OC1,1.0
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,5.000109126740426e-07
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,6.029808596874631e-11
+CCCCCNCCCCC,3.640799945969775e-07
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,1.3965799627868591e-09
+NC(=S)N,2.1700584511563648e-06
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,1.0
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,6.31626591029999e-08
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1.0
+C=Cc1cccnc1,6.885921832733288e-10
+COc1cc(cc(c1O)OC)C(=O)C,0.07132895290851593
+ICI,0.0012733740732073784
+COc1cc(O)nc(n1)NC(=O)N,8.538098071435296e-13
+OCCN1CC1,1.3660676756455103e-10
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.998012900352478
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.013902555219829082
+Fc1cccc2c1ccc1c2cccn1,1.0
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.6678435206413269
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.9999998807907104
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.999972939491272
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,2.374813568722673e-16
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1.0
+CNC(=O)Oc1cccc2c1cccc2,0.9999994039535522
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,2.7428916201467435e-18
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.0006425505271181464
+CN(c1nc2c(n1C)ccc1c2cccn1)C,1.0
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.9999970197677612
+COC(=O)C1=CCCN(C1)C,8.540551377222982e-09
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.9999996423721313
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.6742112040519714
+O=C(Nc1ccccc1)Nc1ccccc1,4.7192161218845285e-06
+Nc1ccccc1S(=O)(=O)O,0.0004305049660615623
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.9999979138374329
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,1.545980126138602e-07
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9999907612800598
+CC(Cc1ccc(cc1)C(=O)C)C,3.36073810558446e-07
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1.0
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,1.1983540275960114e-18
+NS(=O)(=O)c1cccc2c1nccc2,7.763309483283063e-16
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,1.0
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.7046829462051392
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9999998807907104
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9990682601928711
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9999980926513672
+O/N=C/c1ccccn1,9.06394052435644e-06
+BrCc1cccc(c1)CBr,0.888344407081604
+CCOC(=O)c1ccc(cc1)N(C=O)O,6.047288536592532e-08
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1.0
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,1.8201593121602855e-08
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.022376274690032005
+OC(=O)C1CC(N(C1(C)C)O)(C)C,1.451795628160113e-11
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,1.0635209343188905e-29
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,1.0720631493654764e-08
+CCCNCCC,1.539904985747853e-07
+n1ccc2c(c1)cnnc2,2.4203189241234213e-05
+ClCC1=C(Cl)C(=O)OC1O,1.0
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,6.163146281323861e-06
+[O-][N+](=O)c1c(C)cccc1C,0.004242327064275742
+FC(COc1nc(N)nc(n1)N)(F)F,3.686576292204346e-20
+CCCCSCC[C@@H](C(=O)O)N,3.743998178151742e-08
+OC1C=Cc2c(C1O)nccc2,3.455604968838344e-10
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.8710468411445618
+CC(=O)OC(=O)C,1.4128970349247538e-07
+BrCc1ccccc1CBr,0.6282860636711121
+O=NN(C)C,0.9999939799308777
+CCN=C=S,0.517830491065979
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.9999930262565613
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.373295396566391
+O1CCN(CC1)Sc1nc2c(s1)cccc2,3.7388811051641824e-06
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,3.746725152353747e-12
+FC(Br)(Cl)F,0.0005632529500871897
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,1.6026257100022938e-17
+O/N=C(/c1ccccc1)\N,0.9999812245368958
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,1.0
+S=C=Nc1cccc2c1cccc2,1.970052743160977e-08
+Nc1ncnc2c1ncn2Cc1ccccc1,0.9999997019767761
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,1.0
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,9.632617494853514e-17
+CCCCCCCCCC(=O)O,1.9947938767472806e-07
+N[C@@H](C(=O)O)CS,0.9978634715080261
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.48963919281959534
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,1.0
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.0003135573351755738
+[O-][N+](=O)c1nc2c(n1C)cccc2,1.0
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,2.4806689680190175e-07
+[O-][N+](=O)c1cccc2c1cccc2C,0.9999610781669617
+O=NN(CC(=O)C)C[C@H](O)C,1.0
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,1.0
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.004066117107868195
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,9.892263364008613e-08
+ClCc1ccc(cc1)[N+](=O)[O-],0.9999998807907104
+C=Cc1ccccn1,0.11446481943130493
+CSCC(C(=O)O)N,9.82351502898382e-06
+C[C@@H](c1ccccc1)Br,1.127426862979064e-08
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.9985977411270142
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],1.259954615306924e-06
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,4.28574742629916e-15
+O=Cc1cccc(c1)c1ccccc1,0.00037668069126084447
+Nc1ccccc1,0.7765329480171204
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.7008646726608276
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,3.741925253810882e-14
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9999980926513672
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,5.8966035179630616e-12
+[O-][n+]1cccc2c1cccc2,8.722490463242139e-08
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9999607801437378
+NCCNCCN,0.9999849200248718
+ClC[C@@H](CBr)Cl,1.0
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,1.0
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,1.0
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,1.0
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.6420356035232544
+Cc1ccccc1O,1.1131329301861115e-05
+CN(C(=O)OCC)N=O,1.0
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,5.597082054009661e-05
+O=C1NS(=O)(=O)c2c1cccc2C,5.463714550235643e-11
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,2.7168043917260177e-15
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.021536976099014282
+COc1ccc(cc1N)C,0.6072425842285156
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,1.0
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.019034666940569878
+C/C=C/c1ccc(c(c1)OC)O,1.4330038489163144e-08
+COc1ccc(cc1)N.Cl,1.0
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,3.31044466609684e-20
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,1.929535377267806e-35
+OC(=O)c1ccccc1C(F)(F)F,0.37376514077186584
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],2.4264465992018813e-07
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9999994039535522
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,1.0
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.6174202561378479
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,2.664527087325279e-29
+CCC/C=N\O,0.7994719743728638
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,1.1769087374224055e-16
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,3.1947283023183747e-24
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.6110332608222961
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,5.781490085328823e-16
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,1.0
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,1.6741835240190184e-13
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1.0
+Clc1cccc(c1O)Cl,3.2422522444619517e-09
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.4095689356327057
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,1.0
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1.0
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,1.0
+CCN(CC)N,0.9946465492248535
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,7.1913911457721635e-12
+[O-][N+](=O)c1cccc2c1csn2,0.9972214698791504
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],1.0
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,1.0
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1.0
+CCCCCO,7.863057427393016e-11
+OC(C(Cl)(Cl)Cl)O,0.00010293671221006662
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.755611777305603
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,1.0
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,1.0
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,1.4074345191356606e-14
+Nc1ccccc1Cl,0.7803715467453003
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.004551900550723076
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.9999996423721313
+NC(=O)Nc1nc2c([nH]1)cccc2,7.331960659939796e-05
+CCNN=NCC,1.0
+Fc1cc(F)c2c(c1)nccc2,1.0
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,1.0
+CCSCCSP(=O)(OC)OC,0.00010063588706543669
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,1.190786401775168e-12
+COCCl,0.06691135466098785
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.00012654400779865682
+CC(=O)Nc1ccccc1,0.955107569694519
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,2.3736913135508075e-05
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,3.3677644006857577e-12
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5867369174957275
+NCC(=O)O,3.626599465178515e-08
+NCCc1ccc(c(c1)O)O,0.9999935030937195
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8897740244865417
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9999950528144836
+O/N=C(/c1ccc(c(c1)O)O)\N,0.8677793741226196
+O1CC1Cc1ccccc1,1.0
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.9999961853027344
+OC(=O)c1ccccc1O,1.538955984869972e-07
+ClC(=O)c1ccccc1C,0.9999997019767761
+CC(O[P@@](=O)(F)C)C,4.200200910274739e-14
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.5723385810852051
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,1.0
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.999921977519989
+ONc1cc[n+](c2c1cccc2)[O-],0.41978827118873596
+[O-][N+](=O)c1cccc2c1cccc2,0.08515294641256332
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.08441115915775299
+OCCS,0.34639787673950195
+Fc1ccc2c(c1F)cccn2,1.0
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.010265716351568699
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.9999986886978149
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],1.0
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+CC(=O)Nc1cccc(c1)C,0.9999998211860657
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9366146326065063
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,7.151427366958174e-11
+CCCCNc1snc2c1cccc2,3.1274693945704257e-10
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,7.79085238163113e-13
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,1.0
+O=NN1CCC(=O)NC1=O,1.0
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,1.0
+O=NN1CCNCC1,1.0
+Cc1ccc(o1)C,9.448208970752603e-08
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.0011378810741007328
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9999856948852539
+Oc1ccc2c(c1N)cccc2.Cl,0.014723856933414936
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.012827828526496887
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.8038020133972168
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,1.0
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,2.020645152936429e-12
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,2.8046683521152376e-22
+c1ccc(cc1)Cc1ccccc1OCC1CO1,1.0
+SCc1ccccc1,0.004884042777121067
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,7.112257622010966e-19
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.7814270257949829
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,4.095904659277144e-13
+CCCNc1snc2c1cccc2,8.22349299767211e-09
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],1.0
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.9999994039535522
+ClC[C@H](Cl)C,1.0
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.9999998807907104
+ClCC(=O)c1ccc(cc1Cl)Cl,0.36884620785713196
+CN1CCOCC1,0.014294442720711231
+O=C1CC=C(O1)C,0.0005970458732917905
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,3.751157404716186e-15
+Cc1ccc(cc1)[C@H]1OC1,0.6028014421463013
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,2.587929039286818e-23
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,1.320618647203414e-20
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.9999561309814453
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,7.4592344390111975e-06
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.0035146649461239576
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.9999998807907104
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,1.0
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,1.0
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],1.0
+OCCc1ccccc1[N+](=O)[O-],0.5537954568862915
+NC(=O)NO,0.0013638215605169535
+Ic1cccc(c1)[N+](=O)[O-],0.0014809492276981473
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.9999994039535522
+Brc1cccc(c1)c1ccccc1,0.005100489594042301
+C1CCCC1,0.0014486907748505473
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.9481202363967896
+[O-][N+](=O)NC(=N)N(N=O)CCC,1.0
+OC(=O)c1ccc(o1)[N+](=O)[O-],1.0
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.998091995716095
+ClCC(F)(F)F,2.0100171241210774e-05
+BrC(C1=C(Br)C(=O)OC1O)Br,1.0
+Clc1nncc2c1nccc2,9.229695024259854e-06
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.9999946355819702
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,1.0
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1.0
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,1.0
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],1.558087547870457e-09
+[O-][N+](=O)[C@@H](CC)C,1.5340570769240003e-07
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1.0
+[O-][N+](=O)[CH-]CCC,1.6705056782306826e-10
+CCCCOC(=O)c1ccc(cc1)N,9.883903794700132e-15
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.9999998807907104
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,6.41483546647394e-15
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1.0
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.19997739791870117
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,8.89177410358117e-15
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,6.954557660684329e-16
+O=c1cn[nH]c(=O)[nH]1,1.0
+OCC[N+](C)(C)C,3.538866519704059e-13
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9999991655349731
+[Al]#P,0.00014117099635768682
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,1.0
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.997765839099884
+OCc1ccc(cc1N)[N+](=O)[O-],1.0
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.1954026073217392
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.07372096180915833
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.9999774694442749
+C[n+]1cccc(c1)C(=O)O,3.498073684014835e-13
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,2.3345001440201254e-20
+C[C@H](C(=O)N)Br,0.9999998211860657
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,2.679285842077661e-07
+Oc1cc(Cl)cc(c1)Cl,1.6772661871398937e-16
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,1.0
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,1.6602046343586196e-13
+Nc1ccc(c(c1)N)Cl,1.0
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,2.220536173555901e-14
+O=S1(=O)OCCCO1,1.0
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],1.0
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.7999520301818848
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,3.187176475242936e-26
+ONc1ccc(cc1)c1ccccc1,0.9542347192764282
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.0014929644530639052
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,6.782696004847821e-07
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,1.4440979612118099e-06
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,9.986336336044541e-16
+OCC(=O)CO,0.4006010591983795
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,1.0
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,1.3615707873000096e-16
+OCCCNP(=O)(N(CCCl)CCCl)O,1.0
+COC(=O)C=C,4.369693940020625e-09
+CC(c1ccccc1)N(C)C,2.6889184212564032e-09
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,8.615511148946098e-08
+CC(Nc1nc(N)nc(n1)Cl)C,2.5313510352318464e-19
+Nc1sc2c(n1)cc(c(c2)C)C,0.9999998211860657
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.0017507219454273582
+Oc1[nH]cnc2-c1cnn2,5.279381376510628e-10
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,1.0
+CN(CCOC(=O)C(=C)C)C,1.827359263906203e-09
+CC1=CC[C@@H](CC1)C(=C)C,4.318887060964893e-16
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.01040087454020977
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,9.742493922715312e-09
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.5160865783691406
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.3999583125114441
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.9999874830245972
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,3.131974980127662e-34
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.9999992251396179
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.9991768002510071
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7964383363723755
+C/C=C/Cl,0.9827665090560913
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,2.103208683465291e-25
+[O-][N+](=O)c1cccc2c1snc2Cl,1.0
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9997197389602661
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,4.206965447412117e-31
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,1.0
+CSCCl,1.99130184563856e-10
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1.0
+CCOc1ccc(cc1)N=O,1.0
+CCl,4.744860780192539e-05
+ONc1ccc(cc1)/N=N/c1ccccc1,0.9999998807907104
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,8.732124745503e-11
+CC(CCOC(=O)/C=C\c1ccccc1)C,3.103628245111059e-15
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,1.0
+CNc1ccc(cc1)/N=N/c1ccccc1,0.9996482729911804
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.9999736547470093
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.6003134846687317
+O=Cc1c(Cl)cccc1Cl,0.35363858938217163
+Clc1ccc(c(c1)O)Cl,4.368671951835356e-15
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,2.1078972167742904e-07
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,1.0
+FC(I)(F)F,5.493504067999311e-05
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.7967339754104614
+N1CCc2c(C1)cccc2,0.8768059015274048
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,7.425468009990521e-18
+CCCCCN(CCCCC)CCCCC,4.985519996836274e-09
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.9999980926513672
+On1nnc2c1cccc2,2.3468573999707587e-06
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.7222435474395752
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,5.76691718379152e-06
+CN1CCN(CC1)C,0.0001100757290259935
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],1.0
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9999726414680481
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,5.1902932865060944e-23
+O1CCOCCOc2c(OCCOCC1)cccc2,7.076699404251485e-08
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,9.082432370632887e-07
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1.0
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,2.5044162795555957e-23
+Cc1ncc[nH]1,0.20101967453956604
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.9999968409538269
+C1O[C@H]1C=O,0.6908642053604126
+OCCCl,0.9965019226074219
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,1.0
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,9.951540036468032e-09
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,1.2144898975385843e-10
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9999855756759644
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9999920129776001
+Nc1cc(nn1C)C1CC1,0.18666894733905792
+Nc1cccc(c1C)N,1.0
+ClCCOC(=O)Cl,1.0
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,2.006683350003415e-31
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,3.629340344967272e-14
+CC(Nc1nc(O)nc(n1)O)(C)C,1.478067387703411e-20
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,6.988090432533312e-27
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,2.8814506336516388e-11
+Cc1ccccc1,5.779399181449207e-09
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,3.628781032171541e-13
+COC(=O)c1ccccc1N,0.3326987326145172
+[O-][N+](=O)c1ccccc1O,8.497309522681462e-09
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,1.0
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,1.0
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,2.334114433399303e-25
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,6.788663057825735e-23
+Clc1ccc2c(c1)cccn2,0.8058174252510071
+OC(=O)COc1ccccc1,7.097417705631548e-12
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.9999998807907104
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.01821097917854786
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,1.0
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.3793920874595642
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,1.0
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.17342516779899597
+CC(=O)OCN=[N+](C)[O-],0.9007301330566406
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,1.0
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9999963641166687
+O=C1C=CC(=O)O1,1.9905502995243296e-05
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,1.0
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,6.46919878218255e-16
+[O-]P(=O)(OC)O,0.0012747581349685788
+OCC(CBr)(CBr)CBr,0.9990175366401672
+CCC(CC(CC(Cl)C)Cl)Cl,3.253617933296482e-06
+CCOC(=O)N(CCOC(=O)C)N=O,1.0
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.6486662030220032
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+Nc1ccc(cc1)S(=O)(=O)O,1.0104328929116946e-08
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.9256516695022583
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.041674189269542694
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.8608735799789429
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,1.2918087577418191e-06
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,1.0
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,1.0
+C1C2SCC=CN2C1=O,1.2158559457020601e-06
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.9999986886978149
+NC(=N)N,0.21075662970542908
+CNC1Cc2cccc3c2c(C1)ccc3,0.9999998211860657
+OC(=O)c1cccc2c1nccc2,0.00010358402505517006
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,2.2238977085103744e-15
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.09953409433364868
+CCOP(=O)(OCC)OCC,0.0933401808142662
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.9999473690986633
+CCOCOCC,1.374583234792226e-06
+C/C(=N/O)/CC,1.0
+[O-][N+](=O)c1ccc2c(c1)cccn2,1.0
+NCCc1c[nH]c2c1cccc2,5.681330961238018e-08
+ONc1ncnc2c1nc[nH]2,1.0
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5620841979980469
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,1.4394961667107964e-08
+NC(=O)CCCCC(=O)N,5.520621198229492e-05
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9999998807907104
+NNC(=O)CNc1ccc2c(c1)cccc2,0.6209656000137329
+ClC(c1ccccc1)(Cl)Cl,1.0
+CCCOC(=O)c1cc(O)c(c(c1)O)O,3.154338837113753e-14
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.999843418598175
+ClCCOCCCl,0.985543429851532
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9999933242797852
+CN(c1ccccc1)C,0.881141185760498
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,6.61251386999764e-19
+OC(=O)C(Oc1cccc2c1cccc2)C,2.5677118742351013e-07
+Oc1ccc(c(c1)C(C)(C)C)O,6.198599515716158e-18
+NCCCl,0.9996700286865234
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,1.0
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,1.0
+COC(=O)C1OC1c1ccccc1,2.059727648884291e-06
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,4.6267305315581786e-17
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,1.0
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,1.0
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9999768137931824
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.0033817451912909746
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,1.0
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.9999760389328003
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,1.0
+Cc1cccc(c1)N,0.5099408626556396
+CC(COC(=O)C=C)O,8.698625819647532e-09
+CCCCCCCCCCCC[C@H]1CO1,1.3493402661879372e-07
+ClC1CCN(CC1)N=O,1.0
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],1.0
+O=C1C=C(O)C(=O)c2c1cccc2,0.5025602579116821
+CCCCCCCCCC=C,2.0856807836366897e-08
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9999674558639526
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,1.704023565808348e-21
+Oc1ncnc2c1cccc2,2.7058351115272217e-09
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,1.0
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.9926096796989441
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.9999995231628418
+O=C(c1ccccc1O)Oc1ccccc1,5.584874998021405e-06
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,1.0
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,1.8359515915502996e-34
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,1.0
+CN(C)C,0.00012608052929863334
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.9878986477851868
+O=Nc1ccccc1C,0.9994868040084839
+O(CC1OC1)CCOCC1OC1,1.0
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.007824309170246124
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,2.9050747146991595e-32
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,6.602827822260043e-14
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],1.0
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,2.6061180813429246e-19
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,1.0
+BrC([N+](=O)[O-])(Br)Br,0.7169681787490845
+CC(=O)CCC(=O)C,1.7284452677717582e-15
+ClCc1ccc(cc1)F,0.2086770236492157
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,1.9056355426982918e-07
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,5.260742292710108e-25
+CC(NCC(c1ccc(c(c1)O)O)O)C,6.644650107912042e-13
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,1.0
+N#N=Nc1nc2c([nH]1)cccc2,0.9999950528144836
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],1.0
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,2.7806303478428163e-05
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,9.729861361051917e-09
+Nc1cccc2c1C(=O)c1ccccc1C2=O,1.0
+CC(=O)OCc1c2ccccc2cc2c1cccc2,1.0
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.9999942779541016
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,1.0
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],7.681656979394897e-38
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,1.651241836952977e-05
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,8.445540933266216e-10
+OCC(=O)N(c1ccc(cc1)Cl)O,0.4504603445529938
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1.0
+COCCOC(=O)C=C,0.5948529243469238
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.7815000414848328
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,1.5255981550529883e-19
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,1.0
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,5.906024280744049e-11
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,1.826150974623902e-30
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.7990601658821106
+ClC(C(Cl)(Cl)Cl)Cl,0.0003582258941605687
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],2.4173467672028437e-09
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,1.0014940698965802e-06
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,3.049287676022618e-38
+CC(=O)N(c1ccccc1C)O,1.6830965510195028e-09
+ClC(=O)c1c(Cl)cccc1Cl,1.0
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.9999998807907104
+[O-][N+](=O)c1ccnc2c1cccc2,0.9954570531845093
+Clc1cc(Cl)nc(n1)N,1.8327341422263999e-07
+CC(=O)OC=C,5.67386138072834e-09
+OC(=O)/C=C/C(=O)CC(=O)C,4.378290988858243e-23
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9929041862487793
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.20072177052497864
+COC(=O)c1ccc(cc1)O,1.1993386839215248e-10
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,2.561124090583178e-10
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.39611226320266724
+Oc1cc2nnsc2c(c1)C(=O)O,1.050744235543688e-13
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.9999850988388062
+CC1OC(C)CN(C1)N=O,1.0
+O=c1[nH]cc(cc1O)C(F)(F)F,0.7604072690010071
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9999971389770508
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9999990463256836
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,1.5774487806107928e-16
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.04020608216524124
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,2.9337417828401158e-08
+O=CC(=C(C)C)Cl,0.9999998807907104
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,1.0
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,6.340625940959299e-11
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.5118274688720703
+COc1nsc2c1cccc2N,1.0
+OCCOCCO,0.919836163520813
+C=CC(=O)NCCC[N+](C)(C)C,2.853749544616188e-14
+Nc1cccc2c1cccn2,0.6039313077926636
+CN1CCNCC1,0.001592325046658516
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],1.0
+CNC(=O)ONC(=O)NC,3.158790786983445e-05
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.7759381532669067
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,3.6508223111297866e-09
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.25237375497817993
+O=NN(CCCC(=O)c1cccnc1)C,1.0
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,1.755885737737398e-27
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,3.658044296405592e-21
+CCCCOc1ccc(cc1)N=O,1.0
+Clc1cc(Cl)c(cc1Cl)Cl,1.7703875698771299e-07
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,1.7525663212336617e-11
+OC(=O)O.[Na+],1.7549121886372581e-15
+COc1ccc2c(c1)sc(n2)N,1.0
+Cc1ccc(o1)C=O,1.0
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,4.5264431540922495e-18
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1.0
+OCc1c2ccccc2cc2c1cccc2,0.9999614953994751
+Nc1ccc(cc1)Cl,0.9999195337295532
+CC(OOC(C)(C)C)(C)C,1.7787435413474384e-10
+CC(NC(C)C)C,1.588335019064857e-10
+NNC(=O)c1ccncc1,0.20093205571174622
+Cc1cc2cccnc2c(c1)C(=O)O,0.335516095161438
+ONC(=O)Cc1cn(cn1)N=O,1.0
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,2.0090402952366304e-10
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,4.4422963583201636e-06
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,2.2351259298253323e-12
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,3.5353256709641716e-20
+CNC(=O)ON.Cl,1.0
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,1.0
+NC(=O)c1cnccc1C(F)(F)F,1.4849829699237205e-11
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,1.5072748008482934e-15
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,1.1090199938945666e-11
+CCCCN(CCCCO)N=O,1.0
+CCN(C(=O)N)N=O,1.0
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5136140584945679
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,8.116814978050501e-17
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],4.594641813317083e-16
+C1CCO1,0.3343445658683777
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,2.798923062365295e-24
+C1CCCCCC2C(CCCC1)O2,0.2706596255302429
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7883809208869934
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,6.980081366236845e-07
+CCC/C=C/C=O,1.0
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,1.0
+ClCCNC(=O)N(CCCl)N=O,1.0
+Nc1ccc(cc1)c1ccc(cc1)N,0.9999473690986633
+Fc1ccc2c(c1)sc(n2)O,0.9999974370002747
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9999997019767761
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6721827387809753
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,1.0
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.08390346169471741
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.9869509935379028
+COCCOCCOC,0.9999939203262329
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,1.0
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,7.833282633651351e-13
+O=CC=C(C)C,0.9999984502792358
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.17532408237457275
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.9995115399360657
+C[C@@H]1O[C@H]1c1ccccc1,0.9999960660934448
+OC(C(F)(F)F)C(F)(F)F,1.2390171354181856e-12
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,2.4309667028479156e-23
+CC(CCCCCCCOC(=O)C(=C)C)C,1.937084390460364e-13
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,2.9455833605585013e-11
+CCc1nccc(c1)C(=S)N,1.0267331256030854e-11
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,3.4247769402849375e-21
+Nc1nc(O)c2c(n1)nn[nH]2,2.761105723644855e-18
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,1.9822718119733018e-11
+C=CC(=O)OCC(COC(=O)C=C)(C)C,1.4485910030097998e-14
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,1.0
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.0009888922795653343
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,1.0
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.999480128288269
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,5.172610319128905e-14
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,9.2353099993836e-13
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.8182377815246582
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1.079426804016792e-12
+NC(C(=O)O)CSC(C(F)F)(F)F,0.0012603870127350092
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,1.4001144921692245e-16
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,1.371534318398915e-18
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.6958751678466797
+OCCNCCO,0.9874666929244995
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,3.37048944797861e-14
+Cc1cc(C)nc(n1)N,4.117159391192615e-10
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.5985123515129089
+NCN,6.472228415077552e-05
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,1.3098062936478527e-06
+CC(C(O)C)O,5.116549003057747e-13
+OC(=O)c1ccccc1N,0.060499079525470734
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,6.137409094600344e-16
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,4.613436885847477e-06
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,3.4206452710350277e-06
+OC(=O)/C=C/Cl,5.2109653552179225e-06
+BrC(=C)C(=O)O,0.9999974966049194
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.5883521437644958
+Cc1ccc(c(c1)C)O,2.2955057854545657e-09
+Nc1nc2c(s1)ccc1c2cccn1,0.745012640953064
+C1CN2CCN1CC2,7.952405212563463e-06
+CSC(=O)c1cccc2c1snn2,0.9999573826789856
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.13446936011314392
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,7.745852599327918e-06
+CC(=O)OCc1ccccc1,0.8188468813896179
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9999977946281433
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.2403402328491211
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.999998927116394
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,2.8966783512956116e-18
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,8.163988561309195e-24
+NNS(=O)(=O)c1ccc(cc1)C,4.591910407469868e-09
+Nc1ccc2c(n1)n1cccc(c1n2)C,1.0
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,1.0883861989441357e-07
+O=C1CCCC=C1,0.9999969601631165
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.21289463341236115
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,2.530111675724811e-09
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,1.0
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.0005593764362856746
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.6998528242111206
+Cl[C@H]1O[C@H]1CBr,1.0
+O=C1NC(=O)C(=C1Cl)Cl,0.9999580383300781
+Oc1nc2c(C)cccc2nc1O,0.44007784128189087
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,4.881864512640277e-08
+FC(C(Cl)(F)F)(Cl)F,6.273700448033992e-10
+NC1c2ccccc2-c2c1cccc2,1.8246868421556428e-05
+CN(Cc1ccccc1)C,0.00990692712366581
+CC(=CC1C(C1(C)C)C(=O)O)C,3.6841144024357675e-10
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.9066302180290222
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.38036078214645386
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,5.633735665477868e-12
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.1631781905889511
+Nc1cnc2c(c1)nc1n2cccc1,1.0
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.0
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.9991668462753296
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,8.676355016839341e-17
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1.0
+OC(=O)CCCOc1ccc(cc1Cl)Cl,2.504005891523775e-09
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,1.4410963199672222e-13
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.996908962726593
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,1.1456997128789226e-08
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,1.0
+CN1CCC(=CC1)c1ccccc1,5.96444849065847e-08
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,4.9611540283852023e-17
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,1.0
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],2.148295105176834e-14
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,7.823260927963815e-10
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,1.0
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.9999958276748657
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,7.384658284641127e-32
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,4.319377330830321e-05
+COc1cccc2c1nc(s2)N,0.11599477380514145
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9988754987716675
+c1ccc2c(n1)c1[nH]ccc1cc2,0.0002906548907049
+CC(=O)Nc1cccc(c1)O,4.00007666030433e-05
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,3.436619925384978e-16
+ONc1cc(C)ccc1C,1.0
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],1.0
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.9999995231628418
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9997684359550476
+CC(=O)Oc1ccccc1C(=O)O,1.8665794008099895e-13
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,2.6209626136086683e-10
+OC1C2OC2c2c(C1O)ccc1c2cccn1,1.3541229236579966e-05
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1.0
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,1.0
+CN(C(=N)N(C)C)C,0.004779832437634468
+OC(=O)C(F)(F)F,6.389808682172315e-10
+CCCCN=NC(OO)(C)C,0.31679704785346985
+O=NN(CC(=O)COC(=O)C)C,1.0
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,1.0
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.8006307482719421
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,3.023229311338582e-08
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,1.0
+CC(=O)CCOOCCC(=O)C,1.6455854343769088e-15
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,4.4798017029279436e-07
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,1.8015953173744492e-08
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,1.5681983877935825e-29
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.9999997019767761
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,1.0
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.9999841451644897
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,1.0
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,1.0
+Fc1ccc(c2c1ccc1c2nccc1)F,0.9999557733535767
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,6.928203670486521e-12
+OC(=O)c1cnccc1C(F)(F)F,3.8655301460015657e-16
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,4.294048772698726e-15
+Cc1ccc(c(c1)O)O,0.575430154800415
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.9999238848686218
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],1.0
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,1.9098565285076796e-32
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1.0
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,5.982225825817977e-10
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9998995661735535
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,1.0
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.9999992251396179
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.4170018136501312
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,1.2120696624151606e-07
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.06842981278896332
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,2.135317700435735e-09
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,5.238768759210444e-15
+Clc1cncc(c1)Cl,3.2913311846283364e-18
+C[C@@]1(CO1)[C@H]1CO1,1.0
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.9999977350234985
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9999993443489075
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,3.308332080509402e-11
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,1.0
+Cc1c(C)ccc(c1C)C,0.8092055320739746
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,2.1078972167742904e-07
+Cc1ccc(cc1)C(C)(C)C,2.7708951745838485e-16
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,1.0
+Nc1cccc(c1)c1ccccc1,0.999972939491272
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.9999974966049194
+CCCCN(C(=O)N)N=O,1.0
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,2.246759868600404e-21
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.2508973479270935
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,1.0
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,2.8785298797351366e-12
+Clc1cccc(c1NC1=NCCN1)Cl,0.2524183392524719
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.9991482496261597
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.9999931454658508
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1.0
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.9999998211860657
+CCCCN(CCO)N=O,1.0
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.999472439289093
+ONc1cc(ccc1C)[N+](=O)[O-],0.9443982243537903
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.9999988675117493
+ClC([C@H]1OC1)(Cl)Cl,1.0
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,3.627247085886407e-20
+BrCBr,7.667956379009411e-05
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,4.4107898710441884e-16
+Nc1cccc(n1)N,0.09023146331310272
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,1.0
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,1.0
+NC(=O)CBr,9.160106856143102e-06
+Clc1nc2ccccc2nc1Cl,2.3435237380908802e-05
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,1.0
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.9999940991401672
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.44477805495262146
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,5.572123835643889e-20
+ONc1ccc(cc1)[N+](=O)[O-],0.9999161958694458
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.16012424230575562
+O(Cc1ccccc1)CC1OC1,1.0
+CCN(C(=N)N[N+](=O)[O-])N=O,1.0
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.999976634979248
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,1.2050897660407373e-13
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,4.930734572187842e-22
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,1.0
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,1.0
+CN1CCN=N1,1.0
+CCCCOO,0.9999805688858032
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,8.883827007366563e-10
+CC(=O)OCc1ccc2c(c1)OCO2,1.0
+Cl[C@@H]1CO1,9.579215839039534e-05
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,4.3086583900731057e-07
+BrCC(CBr)Br,0.43857869505882263
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9999960064888
+CC[S@@](=O)CCSP(=O)(OC)OC,1.0
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.9999996423721313
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.9999968409538269
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,1.0
+CN1C=CN(C1/C=N/O)CCOCC#C,1.5244139036829896e-23
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,1.0
+Clc1ccc(c(c1)Cl)N,2.6656312712702857e-09
+Cc1cccnc1,0.0652836337685585
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.3534061014652252
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.999843418598175
+COc1cccc(c1)[N+](=O)[O-],0.8001645803451538
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.7534366846084595
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9989708065986633
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9996252059936523
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.24169817566871643
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.9999376535415649
+COc1cc(Cl)nnc1c1ccccc1,2.3513740954328455e-10
+CN(N=Nc1ccccc1)C,1.0
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.9969102144241333
+NCCNCC,0.5186864137649536
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,3.769531899515278e-25
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,2.746535221476165e-10
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,2.4953327164983774e-12
+Nc1ccc(cc1)CCc1ccc(cc1)N,1.0
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,3.473622824383578e-15
+CCN1CCOCC1,2.7982458364328444e-11
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,1.0
+O=C/C=C/c1ccccc1Cl,0.20994360744953156
+Nc1cccc2c1nccc2,0.9999998211860657
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,1.0
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,1.0
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.2777356803417206
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.9966890215873718
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.20000338554382324
+CCN(N=O)CC,1.0
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9999111294746399
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],9.600252814934152e-10
+Sc1ncnc2c1[nH]cn2,1.0
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.4303846735536085e-12
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,1.0
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.9468792080879211
+[O-][n+]1ncc2c(c1)cccn2,2.6508253955743544e-15
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],1.1534956989578404e-08
+CCN(N(N=O)O)CC,1.0
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,1.0
+O=C1C=CC(=O)C(=C1)C(C)(C)C,4.805334732557731e-13
+O1CC1,9.913828398566693e-05
+COc1cccc(c1)N,0.9999993443489075
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,6.098177618003113e-19
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,1.0
+Cc1nccnc1C,1.8835830790063512e-13
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,1.34694371944101e-16
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.00015527699724771082
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,1.4555870124368594e-24
+N#CC(N=NC(C#N)(C)C)(C)C,7.2632663772331796e-12
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,1.0
+CCN(c1ccc(cc1)N)CC,0.9993413686752319
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9999850988388062
+CCCCCC(=O)O,3.289795380556626e-10
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,1.0
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.08406371623277664
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.9999855160713196
+CC[Si](CC)(Cl)Cl,0.0005606745835393667
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,1.173140896645002e-16
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,2.1622547660266243e-21
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.00021035305690020323
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,5.248449244654729e-14
+CCCSSCC=C,2.0298667635643142e-08
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.9983471632003784
+CCC(Nc1snc2c1cccc2)C,2.814605644906043e-13
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.9999391436576843
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,2.8294535925562694e-27
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,1.0
+CCCCN1C2C1c1ccccc1-c1c2cccc1,1.0
+O=NN1CCCCCC1,1.0
+CCCCOc1ccc(cc1)CC(=O)NO,0.7793561816215515
+CCCCOCCO,3.830981768260244e-06
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9999874234199524
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],7.596531978221362e-15
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9997924566268921
+NNc1ccccc1[N+](=O)[O-],0.999998927116394
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,1.591252949424226e-31
+CCCCC,8.31847515314621e-08
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.7035467028617859
+N[C@H](C(=O)O)CSCc1ccccc1,2.226990773124271e-06
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,1.0
+CCCCCC(=O)OCC=C,1.1014857428937042e-11
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6636569499969482
+C=Cc1ccc(cc1)[N+](=O)[O-],1.0
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,1.0
+CCCCCCCC(=O)Nc1snc2c1cccc2,1.8420177383404734e-08
+NNC(=O)N,0.29936665296554565
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9979027509689331
+Nc1ccc2c(c1)ccc1c2cccc1,0.9999996423721313
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.19972661137580872
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],1.4847027757022851e-16
+O=C/C=C\c1ccccc1,8.881140445282654e-08
+[O-][N+](=O)c1cc2c(N)snc2cc1,1.0
+C=Cc1ccccc1C=C,0.11363186687231064
+O=S1(=O)CCCC1,3.326755759758271e-09
+CC(CC(=O)Nc1ccc(cc1)O)O,0.05923690274357796
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.9989805221557617
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.21603676676750183
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,1.0
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.3768904209136963
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.9999974370002747
+Fc1ccc2c(c1)sc(n2)C(O)C,0.8750724792480469
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,1.0
+Cc1ccc(c(c1)O)C(C)C,4.615141047104032e-10
+C=CCNCC=C,9.019372555485461e-07
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.9997090101242065
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,1.0
+CC(=O)/C=C/c1ccco1,1.1011647075065412e-05
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,2.2823288398088337e-12
+COc1ccc(c(c1)OC)N,1.0
+COc1ccc2c(c1)[nH]c1c2ccnc1C,1.0
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],1.890137525661917e-11
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.9991620779037476
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1.0
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.05918290093541145
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.902043342590332
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.9999977946281433
+CCCCCCCCOc1ccc(cc1)C(=O)O,4.21475424006168e-11
+Cc1ccc(cc1)C,1.7806945606935187e-06
+[O-][N+](=O)c1c(N)cccc1O,0.25596702098846436
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.0
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.9871383905410767
+ClCBr,5.002028774470091e-05
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,4.204250799581893e-20
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.1525932252407074
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.25377392768859863
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.999986469745636
+OCC(C1OC(=O)C(=C1O)O)O,2.7465871244025664e-10
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,1.0
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,3.9933635113682375e-15
+Cc1ccc(cc1)C(N)C,0.18696638941764832
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,1.0
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,6.534602289320901e-05
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9999982714653015
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1.0
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.38348785042762756
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6725999712944031
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1.0
+Cc1ccc(cc1)C(O)(C)C,1.3432611685286477e-13
+NC1CC(C)(C)N(C(C1)(C)C)O,3.3067106830486637e-09
+CCCCN(CC[C@H](O)C)N=O,1.0
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,1.4159874661689997e-10
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.999998927116394
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,2.854277693481603e-17
+OC(=O)c1ccccc1Cl,2.998670062259734e-11
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.9926024675369263
+OC(=O)C[C@@H](C(=O)O)C,0.020290184766054153
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,1.0
+CNNC,1.3046435469732387e-06
+Oc1cnnc(n1)O,5.808090360943956e-17
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9960131645202637
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,1.5661246171444487e-12
+Cc1ccc2c(c1)nccc2,0.2037140130996704
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.24089698493480682
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9999997019767761
+CCCCN(COC(=O)C)N=O,1.0
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9999998807907104
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,2.2800008991907816e-07
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,1.0
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,1.6043202877291662e-10
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9999933242797852
+CC1(C)C2CC3C(C1C2)(C)O3,4.079564762615916e-22
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,1.294927706729787e-12
+O=CN(c1ccc2c(c1)cccc2)O,0.9999983906745911
+Cl[Cu]Cl,4.893396544503048e-05
+COC1OC1(C)C,1.0
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,1.0
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,1.1752792207324336e-13
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,1.0
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,8.389721579265094e-29
+Clc1ccc(cc1)[N+](=O)[O-],0.9991153478622437
+CCC(=O)Nc1snc2c1cccc2,5.186105227039661e-06
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,1.8912742234533653e-05
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,1.0
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,1.0910670198427397e-06
+OC1C=CC=CC1O,0.9999990463256836
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,1.0
+CCCCc1c(=O)nc([nH]c1C)NCC,1.0324279574863686e-22
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.9999616742134094
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,1.1392008687836734e-15
+BrCC#N,0.00013939997006673366
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.9999996423721313
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.00018797819211613387
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9999643564224243
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,7.413960125077917e-14
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,1.1027624126358493e-11
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,1.0
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,9.774878151347366e-08
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,1.0
+COc1ccccc1c1ccccc1,0.8393648862838745
+Nc1ccc2c(c1)c1ccccc1[nH]2,1.0
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,4.193419833598e-09
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,2.5536022971070994e-18
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.9999682307243347
+Nc1cccc2c1cc1ccccc1c2,0.9999906420707703
+NN1C(=O)c2c(C1=O)cccc2,1.267781772185117e-05
+CCOC(=O)CC(=O)C,4.674085025426751e-21
+COC(=O)CC(=O)OC,9.500164327089222e-13
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.9913662672042847
+CNC(=O)Nc1ccc(cc1)Br,8.220830162057593e-29
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.9999387860298157
+CC(=O)Nc1cccc2c1nccc2,0.9999818801879883
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,1.0
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.9999998807907104
+CCC1OC1c1ccccc1,0.1973431259393692
+O1CCOCCOCCOCC1,9.913828398566693e-05
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.5983933210372925
+CC(CO)Cl,1.0
+N#N=NCCC(C(=O)O)N,1.0
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+N[C@@H](C(=O)O)Cc1ccccc1,1.586453254276421e-05
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,7.964801625348628e-06
+Cn1c(N)nc2c1c1cccnc1cc2,1.0
+OC(=O)c1c(N)cccc1N,1.5070943604200693e-08
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.9999921917915344
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.028168518096208572
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9999998211860657
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,7.739479252590283e-22
+CCCCOP(=O)(OCCCC)OCCCC,5.233848293997867e-13
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.6016519665718079
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,3.2928399207066025e-17
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,1.5568717986352322e-14
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.3436269760131836
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,8.515869216393912e-13
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,3.3074407199563255e-14
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,2.481348121224046e-14
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,1.803867988314778e-08
+CCC1(C(=O)NCNC1=O)c1ccccc1,1.0
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.02068747952580452
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,1.89957763397033e-35
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9997197389602661
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9999995231628418
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9999921917915344
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.0003210246213711798
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9999898076057434
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.15491542220115662
+CCCON(C(=O)c1ccccc1)OC(=O)C,1.0
+O/N=C/C(=O)Nc1ccccc1,0.035088539123535156
+ClN1C2C1c1ccccc1-c1c2cccc1,1.0
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,2.5430205477619842e-17
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.7999327182769775
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.31446710228919983
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.9995176196098328
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,2.0367683234434608e-11
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.6893458962440491
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,1.0
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,5.04270212538211e-17
+c1ccc2c(c1)cc(cc2)OCC1CO1,1.0
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,2.0925839186447526e-13
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,1.1678957212132837e-21
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,2.3721345609418e-23
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,1.0
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.1081002950668335
+COP(=O)(O)O,8.062354339699596e-08
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,1.9181381483157622e-10
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,1.0
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.603955090045929
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,1.6599524709055477e-27
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,4.121390239733149e-35
+C[C@H](CO)Cl,1.0
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.9624990224838257
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,7.169871309997689e-07
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,4.939147313365311e-09
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,3.242032107664272e-05
+CNc1c(C)cc2c(c1N)cccn2,0.7627459764480591
+OC1COC(=C(C1=O)O)C,1.0
+Cc1ccc2c(n1)cccc2,5.893471266560368e-10
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,1.0
+Clc1cccc2c1cccn2,1.0
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,1.0
+COc1cc(CCC(=O)C)ccc1O,2.925219844129856e-09
+[O-]P(=O)=O.[Na+].[Na+],5.224040933171636e-07
+Cc1nsc(c1)N,1.0
+Oc1nncc2c1cccc2,2.0142377311258258e-16
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,1.0
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],1.4402558523224004e-29
+Clc1ccc(c(n1)C(=O)O)Cl,3.695372661842965e-15
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,1.0
+CC12OOC2(C)Oc2c1ccc1c2nccc1,1.0
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,4.452503708307631e-05
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,1.0
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.9999883770942688
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,1.120102614824905e-21
+CCOC(=O)CNC(=O)[C@H](Br)C,1.0
+NC(=O)Nc1ccc(cc1)C,9.737747177496203e-07
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9999998211860657
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,2.1289886086711673e-12
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,7.557736807188907e-23
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,1.6593665330688623e-10
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,2.1148544721016904e-11
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,4.247825160848959e-31
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],2.5704788640723564e-05
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.9999982714653015
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9996263384819031
+CCC(C)(C)C,2.254085302411113e-06
+CCCCCCCCCCCCCCCC(=O)O,8.005095475382973e-10
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,1.0
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,2.945932664477624e-10
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,1.0
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,1.0
+ClCCOP(OCCCl)OCCCl,1.0405872671981342e-05
+Nc1ccccc1S,0.9613372087478638
+C=CCN1C2C1c1ccccc1-c1c2cccc1,1.0
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],4.357049153296337e-20
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.0003463840112090111
+COc1cc(C=O)ccc1OC,8.284136043812396e-09
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.10473132133483887
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],1.0
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.9996317028999329
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,7.765525418881869e-13
+COc1ccc(cc1)C=C,5.559693860845982e-08
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.4583803713321686
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,2.7509197177144618e-12
+CCNc1nc(NC(C)C)[nH]c(=O)n1,2.4631449272455974e-18
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,1.0
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.0014609448844566941
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.0
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,8.467502965459062e-08
+Cn1c(N)nc2c1cc1cnccc1n2,0.6037971377372742
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,2.3434441231984238e-07
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,4.194417405706833e-18
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,7.078099217849854e-10
+CC(CCOC(=O)C)C,2.2597580695560282e-08
+O=NN1CCC[C@@H](C1)O,1.0
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,4.131947662244784e-06
+CC(C(C)C)C,2.2789481590734795e-05
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.9999669194221497
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,3.549646687694974e-11
+CN(N=O)CCCC,1.0
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.6089872717857361
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,2.8309651008952234e-26
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.04577794671058655
+ClC(Br)(Cl)Cl,0.0012710324954241514
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],1.0
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,2.0155833382537458e-14
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,1.0
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,4.285466838165053e-13
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,1.0
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.9999993443489075
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,1.0
+Clc1ccc(c(c1)C(=O)O)Cl,0.2006557434797287
+O=NN1CSCC1,0.20796510577201843
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1.0
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,1.0
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,1.0
+C/C(=C\C=O)/Cl,0.8988972902297974
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,1.0
+Clc1cc(Cl)c(c(c1)Cl)Cl,8.508833815312755e-08
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1.0
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,6.40620882137232e-19
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.7350180149078369
+Nc1cc2nc3ccccc3nc2cc1N,0.9996997714042664
+CC(N)C,5.477512488027969e-08
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,1.0
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+N#CC1(O)CCCCC1,4.30946345275629e-09
+ClCc1c2ccccc2cc2c1cccc2,0.9998243451118469
+OC(=O)c1ccco1,1.6181036954776573e-08
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,1.0
+C=CC=O,0.5938763618469238
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,1.0
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.6404052376747131
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.7778135538101196
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,1.0
+ClCc1ccc(cc1)C,8.472626359434798e-05
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,3.582491941989119e-11
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.9999923706054688
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,1.0232515355868e-11
+CCCC[C@H](COCCCN)CC,2.7720037376610662e-09
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.15215782821178436
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7779104113578796
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.9996036291122437
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,2.766962527156469e-11
+CCCCCCCCCCCCN(N=O)C,0.9999998211860657
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.9999986886978149
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,1.0
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.9999430775642395
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.9999982118606567
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,1.1473372252268632e-09
+ClCC(Cl)Cl,0.811444103717804
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,1.6825413759864955e-15
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.9999998211860657
+CN1CCC=C2C1CCc1c2nc(s1)N,2.3660754777665716e-06
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,3.822721524363807e-15
+ClCC#N,0.0016845125937834382
+C=Cc1ccc(cc1)N,0.16823403537273407
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,4.6996694730294664e-11
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.2960509657859802
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.003885045647621155
+CN(C(=S)SSC(=S)N(C)C)C,0.0004121472593396902
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,8.440801946285603e-10
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,5.791501306307012e-11
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.9993079900741577
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,9.428067701544585e-12
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.5246664881706238
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,6.29321448286646e-08
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,1.0
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],1.0
+C1CCC2C(C1)c1ccccc1C=C2,0.9997719526290894
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,2.415137968087011e-12
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,1.0
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,9.848866514006183e-13
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,1.0
+N#N=NCC(C(C(C(CO)O)O)O)O,1.0
+[O-][N+](=O)CCO,0.431274950504303
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.999988853931427
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.47707900404930115
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,2.4347435026215583e-25
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,5.280445079894134e-25
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.13049232959747314
+CCOP(=S)(SCCl)OCC,3.71403601207021e-08
+Oc1ccccc1c1ccccc1,0.4915769100189209
+Clc1nnc(c(c1)O)c1ccccc1,9.274286338900595e-10
+COc1cccc(c1O)C=O,0.0003294596099294722
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.0580894872546196
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,1.0916684223261086e-12
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.990386962890625
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.24306447803974152
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.9999971389770508
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,6.079264380787208e-07
+Cc1ccccc1Cl,1.2600141417351551e-05
+O=N#Cc1cc(C)cc(c1)C#N=O,2.4470142534482875e-07
+NC(=O)c1ccccc1C(F)(F)F,4.211366419176106e-17
+C/C=C/c1ccc(cc1OC)OC,0.7923892736434937
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,1.0
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.9999998807907104
+C=CN=Nc1ccccc1,0.3058452308177948
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,1.0707331340005102e-23
+[O-][N+](=O)c1scc(c1)C(=O)N,1.0
+CCN(c1ccc(c(c1)O)N=O)CC,1.6687647075741552e-05
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,1.0
+Oc1ccc(cc1)C(=O)O,4.183033086579968e-10
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],1.0
+OC/C(=C(/CO)\Br)/Br,0.01627998612821102
+NC(=O)Cc1cccc2c1cccc2,7.115577318472788e-07
+c1nccs1,0.4289470613002777
+CC(=O)c1ccco1,0.1111019104719162
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,3.0075925474062903e-13
+CSCNc1ccccc1,0.6908406615257263
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9999995231628418
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,1.0
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],1.0
+N[C@H](C(=O)O)CS/C=C/Cl,1.0
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9999984502792358
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,3.8245812902459875e-05
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,1.149834652752402e-16
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.9999980926513672
+C[N+](Cc1ccccc1)(C)C,6.262489832264961e-11
+COC(=O)C1=CCCN(C1)N=O,0.9819580316543579
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,1.0347979255160428e-13
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,1.3341342253170296e-08
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,1.0
+ClCC(=O)Nc1c(CC)cccc1CC,0.9999997019767761
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,1.0
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,1.0
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,5.315883909277896e-13
+COP(=O)(SC)OC,2.3941606741573196e-06
+Clc1cnc2c(c1)cccc2,1.4452095076222804e-10
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,7.0323746925178e-24
+COC(=O)Nc1nc2c([nH]1)cccc2,0.23604264855384827
+O=C=Nc1ccc(c(c1)N=C=O)C,0.690466046333313
+CCCCNCC,8.891197782363858e-13
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,5.533438769743892e-18
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,1.0
+Nc1ccccc1c1ccccc1.Cl,0.9999977946281433
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.9696292877197266
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,1.0580083610156706e-18
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,1.2557173445794357e-15
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,1.3689074938611436e-25
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,1.6121764474519296e-06
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,5.441411752606096e-13
+ON1C(C)(C)CC(C1(C)C)C(=O)N,2.1613145301246917e-11
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,1.0
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,9.390693112011123e-21
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.9999950528144836
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.17536506056785583
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,5.7561097491998225e-05
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,4.930754693432959e-10
+N=C(NC(=N)N)NCCc1ccccc1,5.3649456405180374e-11
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.9999998211860657
+COO,0.999821662902832
+Nc1ncn[nH]1,6.0422335537713145e-12
+Cc1ccc2c(c1)c(N)sn2,1.0
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,1.0
+NNc1nncc2c1cncc2,0.8005193471908569
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,9.378415821714725e-10
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.9997934103012085
+Fc1ccc2c(c1)c1ncccc1cc2,1.0
+CC(=C)C(=O)OCCO,2.2375119118622777e-11
+NC(=O)c1ccccc1,9.774505649318144e-10
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.047158148139715195
+ClCC(C(=C)Cl)Cl,0.01054946705698967
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.9999970197677612
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,1.0
+Clc1cc(Cl)c2c(c1O)nccc2,0.7894052267074585
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,1.5769511918506396e-08
+ClCC(CCl)Br,0.8540693521499634
+N#Cc1cccc2c1nccc2,0.22112688422203064
+O=C1CCCCCN1,7.829030437278561e-06
+CC(Cl)(Cl)C,0.0028310767374932766
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,1.2286159867258561e-09
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],4.956094016961288e-06
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.9999723434448242
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,8.578234655942651e-07
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,1.0
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,1.0
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,2.6986820634046017e-25
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.23191681504249573
+CNC(=O)N(C(=O)NC)O,0.08110378682613373
+O=CC1=CCCC2(C1(C=O)C2)C,0.3167535364627838
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,2.688752269875555e-14
+Clc1cccc(c1)Br,1.2745708421474383e-17
+Clc1cc(Cl)c(c(c1Cl)O)Cl,1.8397841472506116e-08
+Nc1c2ccccc2cc2c1cccc2,0.7439155578613281
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,1.0
+CCCCCCCCCCC,1.1864828053376186e-07
+CCCN(CCC)CCC,1.1552444556528485e-09
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,4.186127000593842e-10
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,1.830888956069754e-13
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.04393903166055679
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,8.98172251252049e-19
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.6558279991149902
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,1.2985722320832157e-18
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.7887674570083618
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.3953833281993866
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,1.0
+CC[n+]1c2ccccc2nc2c1cccc2,0.9998325109481812
+CC(=O)ON(c1ccccc1C)C(=O)C,1.0
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,6.955105196347196e-20
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,2.9551994884968735e-05
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,1.0
+O=NN(C(=O)C)C,1.0
+CNC(=O)NC,0.5214643478393555
+CCOC(=O)C,0.3971687853336334
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,1.5435396016894032e-11
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,7.765525418881869e-13
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,8.801484118348829e-14
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,9.337924320367782e-20
+c1ccc2c(c1)[nH]cn2,0.4152336120605469
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],5.04688932778663e-06
+[O-]P([O-])[O-].[K+].[K+].[K+],2.78322295343969e-06
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,6.15594069317861e-15
+N#Cc1ccccc1C,2.431591039631087e-10
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,1.0
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,3.980918372725739e-10
+OC(=O)C(=O)O,0.00018949215882457793
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,3.218363887074778e-17
+CN(C(=O)C#N)C,0.027734065428376198
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,6.759127493637823e-37
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,4.093158700868571e-09
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,1.0
+OC(=O)Cc1ccccc1Cl,2.168828006077206e-09
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,2.8246068954355127e-31
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,5.755489773738142e-15
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.23975524306297302
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9999974966049194
+O=NN(Cc1ccccc1)Cc1ccccc1,0.9999861717224121
+CCCC(=O)OC1CCCCC1,3.935334461857565e-06
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],1.0
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,6.348954229906667e-06
+CN=C=O,3.706968598748972e-08
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1.0
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1.0
+CCCCCC(/C=C/C=O)O,0.7975785136222839
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.011068672873079777
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,3.3533322344726465e-16
+OC(=O)O.N,1.6572966957117963e-12
+CC(=O)C(=O)C,4.772348802362103e-06
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.9999996423721313
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,1.0
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,1.0
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,1.0872322491195519e-05
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.7999446392059326
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,1.0
+CC/C=C/[C@H](C=O)CC,1.4262909076023789e-08
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,4.363508169367899e-25
+FC(OC(C(Cl)F)(F)F)F,2.295987618777806e-12
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,1.0
+OCc1ccc(cc1)C,1.2675915968429763e-05
+OCC1CC1,0.2821933329105377
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.3162657618522644
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.8242946863174438
+OCC(C(CO)O)O,0.00012815471563953906
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.4024870991706848
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1.0
+BrCCBr,0.9588152170181274
+N#Cc1cccc(c1)C,3.1770561181865276e-10
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,1.0
+CC(=O)C,1.6163223648391067e-08
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,4.179256495994571e-14
+O=NN1CCNC1=O,1.0
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,1.0
+COc1ccc(cc1)C1OC1C,0.0031611784361302853
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.6801661252975464
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.00011671677930280566
+COC(=O)C,0.4151369035243988
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.9999955296516418
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.0011405481491237879
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,1.0948314737441178e-12
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,2.5306741008535028e-05
+C1C[N@@]2CC[N@]1CC2,0.00014818001363892108
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.9942758679389954
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,1.0
+CCN(c1ccccc1)N,0.4037705361843109
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,4.479295513537952e-16
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,1.0
+Nc1ccc2c(c1)oc1c2cccc1,0.20017680525779724
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.9999961853027344
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,1.7599414433929328e-31
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.011734009720385075
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,5.7322740758536384e-05
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9996220469474792
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.00010860239854082465
+CC(=O)NNC(=O)c1ccccn1,0.0009469304932281375
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,1.0
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,1.2390520772213257e-15
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,2.1844864761533245e-07
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,1.0
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.017355691641569138
+ONc1cccc2c1cccc2,1.0
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.8003374934196472
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,4.0279415219890424e-11
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,1.0
+CCS(=O)CCSP(=O)(OC)OC,1.0
+Clc1ccc(c(c1Cl)O)Cl,1.827768727480361e-07
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,1.0025421612604407e-15
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.23320946097373962
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.6116334199905396
+N#Cc1ccccc1C#N,9.16309588205877e-08
+OCCn1c(CO)ncc1[N+](=O)[O-],0.9999963045120239
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.1968003362417221
+O=Cc1ccccc1O,1.9425982600296265e-08
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9999998807907104
+Cc1cc(C)c(cc1C)C,0.078592449426651
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,6.759127493637823e-37
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.012373661622405052
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,1.0
+CCOC(=O)c1cccc2c1nccc2,1.1660725718343201e-08
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.15506231784820557
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1.0
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,1.0
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,2.7428559423725574e-11
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,1.1314941872342388e-07
+ClCCN([P@](=O)(O)N)CCCl,1.0
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,4.3063250187991287e-10
+OC(=O)/C=C/c1ccc(cc1)N,0.040248069912195206
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.2919165790081024
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,2.543755270907804e-21
+O=Nc1cccc(c1C)[N+](=O)[O-],0.9999998211860657
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1.0
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,4.018266736238729e-06
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.7091542482376099
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.9999996423721313
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.9999936819076538
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,4.356063565413848e-10
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9999138116836548
+ONC(=O)c1ccccc1,1.0
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,2.718895109055097e-10
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,1.0
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,1.0
+Nc1ccc(cc1)[N+](=O)[O-],0.9999997019767761
+COc1cc(C=O)ccc1O,1.4875738141295614e-10
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,1.0
+O=C/C(=C(/C(=O)O)\Br)/Br,0.6710271835327148
+CC(CCNc1snc2c1cccc2)C,3.816162941205903e-10
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5610738396644592
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.7983322143554688
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.0002275531878694892
+c1ccc2c(c1)scn2,0.0017760812770575285
+c1ccc2c(c1)cnc1c2cccc1,0.9371534585952759
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.7886278629302979
+CCCCCCCCCCCCCC(=O)O,8.005095475382973e-10
+O=NN1CCO[C@H](C1)O,1.0
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,1.0
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,2.3009638750453318e-29
+O=CC(=O)O,0.16694378852844238
+CCCCN(C[C@@H](CCO)O)N=O,1.0
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,2.3086313416520454e-10
+OC(=O)c1ccc(cc1)C(=O)O,5.5259608444657715e-08
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,8.428844739682972e-05
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,1.0
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,1.0
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,8.976880321291697e-17
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,1.0
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.2807241380214691
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9996317028999329
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,5.3293624817309145e-20
+OCc1ccc(cc1)OC(=O)C,0.17686472833156586
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9999992251396179
+ON1CN(Cl)CN(C1)Cl,4.501126582567849e-09
+O(Cc1cccc2c1cccc2)CC1CO1,1.0
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9999998807907104
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,1.0
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,1.789958155654081e-14
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],1.0
+CCCCCCCCCCCC(=O)O,8.005095475382973e-10
+CC(=O)n1ncc(c(c1=O)Cl)Cl,8.779805224859438e-13
+CCCCCCOC[C@H]1CO1,0.794618546962738
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,9.133679856196515e-21
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,4.931634248350747e-05
+CC1=CC(=O)C(=CC1=O)C,1.7758293324732222e-07
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.27401500940322876
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,2.4237242157124517e-15
+OC(=O)/C=C\C(=O)O,1.1201504168667498e-09
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,4.2628315428342584e-14
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.9999669194221497
+Cc1ccc(c(c1)C)C,1.0591111276880838e-05
+CCCCN(CCC)N=O,1.0
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,5.862097446358687e-16
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,1.0
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9999998807907104
+CNC(=O)NO,0.9999992251396179
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,1.0
+Cc1cc(=O)[nH]c(=S)[nH]1,3.3617310324363103e-11
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.24306447803974152
+CCCCO,7.619451077023331e-12
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1.0
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1.0
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,1.5093442584657168e-07
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.2144487351179123
+Cc1c(C)cccc1C,2.957696132455112e-08
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.9999990463256836
+Cc1ccc2c(c1C)cccc2,0.08398649096488953
+ClCCCN(C)C,0.03489422798156738
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,1.0
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,1.2369755495456047e-05
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,5.269488865438168e-14
+COc1nsc2c1cc(OCC1CO1)cc2,1.0
+[CH2-][N+](=O)[O-],0.3000052869319916
+CCOC(C)(C)C,0.4706302285194397
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,1.0
+C=CCN(CC=C)N=O,1.0
+CCCCCCCCCCCCO,3.278326178232649e-12
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,3.885841731378928e-17
+CCOc1ccc(cc1)[N+](=O)[O-],0.8891765475273132
+COc1c2ccc(=O)oc2cc2c1cco2,5.583571392785494e-14
+O=C1C=CC(=NC(=O)C)C=C1,1.981050656851835e-09
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.9999512434005737
+CNc1ccc(cc1)N=Nc1ccccc1,0.9993392825126648
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,1.175499281247383e-10
+OCCCCN(CCO)N=O,1.0
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.4571835994720459
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9999982714653015
+O1OC2c3c(C1c1c2cccc1)cccc3,0.3497169017791748
+COc1ccc(cc1)O,2.3154913719736214e-07
+CCCOC(=O)C(=C)C,1.5030359769296897e-13
+CC(=O)Nc1snc2c1cccc2,0.4484217166900635
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,4.201694547845136e-10
+OCCN(CCO)C,3.0264327506301925e-06
+ClCCSCCCl,1.0
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,1.0
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.0001942800299730152
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,2.1218762153146081e-13
+ClCc1ccc(cc1)Cl,0.1501435786485672
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,2.366756500747861e-29
+[O-][N+](=O)c1ccc2c(c1)cccc2,1.0
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,1.0
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,9.658374967056715e-28
+CCCCC/C=C/C=C/C=O,1.7573665900272317e-05
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,4.888528384178192e-12
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,1.0100082074425606e-17
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.27812039852142334
+CN(c1ccncc1)C,3.820315669145202e-06
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,1.615022183266749e-22
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.8919223546981812
+[O-][N+](=O)c1ccc(c(c1)Cl)N,1.0
+Cc1ccnc2c1cccc2,0.00021858944091945887
+O=C(c1cccc2c1nccc2)OCc1ccccc1,1.7744557680998696e-06
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,4.7893144311528246e-11
+OC(=O)CCCCCCCCC(=O)O,1.6092217265395448e-05
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.9544864892959595
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.9999744296073914
+COc1cc(OC)nc(n1)N,6.209052803157755e-12
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1.0
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,6.713544097012672e-17
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,1.5646364014319466e-15
+N#CCc1ccccc1,0.0005583392339758575
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,1.0
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,1.3011030851350393e-14
+CC(=O)Nc1ccc2c(c1)cccn2,0.377354234457016
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,1.0
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9999931454658508
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,1.0
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.9999992251396179
+Nc1ccc(cc1)Sc1ccccc1,1.0
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,9.638621870884756e-23
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,1.0093486326355519e-23
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,7.213242503301132e-11
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,9.167685277589044e-08
+C=CCCC(C=O)CC,6.466379653957688e-10
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,1.0
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.0035508363507688046
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,1.0
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9992316961288452
+Oc1cc(O)cc(c1)O.O.O,2.905561871102691e-07
+[O-][N+](=O)c1cnc(n1C)C,0.9999905824661255
+COC(=O)c1ccccc1S(=O)(=O)N,1.8857966403718063e-12
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,7.850809855865077e-31
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,2.2729025772605382e-07
+C=CCC[C@H]1CO1,1.0
+CCCCCC[N+](=O)[O-],1.0062424119850269e-13
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1.0
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,1.0
+C[n+]1c2ccccc2c(c2c1cccc2)N,1.0
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9999998807907104
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.24522002041339874
+OCc1ccc(cc1)C(F)(F)F,9.316376292645145e-08
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9999998807907104
+Cc1c(NC)ccc2c1nccn2,0.9999984502792358
+COc1c2cc(OC)ccc2nc2c1cco2,0.9999998807907104
+ONc1cccc(c1C)C,0.9999984502792358
+C[C@@H]1CNC[C@H](O1)C,0.0009079825831577182
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.9999929666519165
+C1CCNC(=O)N1N=O,1.0
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,6.7657455464118724e-15
+ClC(Cl)Cl,0.0026255256962031126
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6309117078781128
+ClC(c1ccccc1)C(=O)NCc1ccccc1,1.0
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.999986469745636
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,7.93850496449977e-09
+CCCCC/C(=C/c1ccccc1)/C=O,1.785272762955259e-10
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.9999316930770874
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,5.144735304440928e-09
+CC(COS(=O)(=O)C)C,1.0
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.9672405123710632
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,3.4523284284659894e-06
+C1CNCCO1,0.0006079534068703651
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,2.4933973463703296e-07
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,2.8551788634410493e-23
+NC(=O)O[C@H]1CO1,0.9999998807907104
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,7.87624012446031e-05
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,5.442634574137628e-05
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,1.0
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,6.827046523591451e-13
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.22830304503440857
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,1.0
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,2.7471973584880516e-09
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.943454384803772
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.17536506056785583
+CC/C=C/C=C/C=C/C=C/C=O,0.9999569654464722
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,3.633597546112699e-12
+COC(=O)COc1ccc(cc1Cl)Cl,6.394438241841272e-05
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,9.013947806552525e-16
+COC(=O)c1ccc(cc1)C=O,1.7265399179788865e-11
+C1CCCO1,0.0002944438310805708
+NNc1nncc2c1cccn2,0.9037047624588013
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,1.0
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.9999951124191284
+Oc1ccc(cc1)c1ccccc1,1.679840534052346e-05
+Cl[Si](Cl)(Cl)Cl,0.0012743998086079955
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.9987775683403015
+CCOC(=O)OCC,4.514258411525418e-10
+CNC,9.198290058520797e-07
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.3372785151004791
+[O-][n+]1cccc2c1C1OC1C=C2,0.9845646023750305
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,1.0
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,3.8541703162309204e-08
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,8.755585808709212e-19
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1.0
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,9.546016907435944e-26
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1.0
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,5.775348199676955e-09
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,1.0
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,1.836693996892791e-08
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,2.1159362787167703e-19
+CC(CN1CC(OC1=O)C)O,3.367403467180452e-09
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.9999825358390808
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.9999958872795105
+CCOC(=O)CNC(=O)C=[N+]=[N-],1.0
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.9999979138374329
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,2.1693096971531212e-11
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,8.173535904088675e-15
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],1.0
+CCC(=O)C(=O)CC,0.021985257044434547
+OC(=O)CCP(=O)(O)C,3.125540271042837e-09
+ONc1ccc2-c3c(Cc2c1)cccc3,1.0
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9998890161514282
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.05062790587544441
+OC(=O)c1ccccc1S(=O)(=O)N,2.8820857189655125e-16
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,1.0
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,2.911917668796393e-13
+FC(c1ccc(cc1)Cl)(F)F,3.103418563799032e-11
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,1.0
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,1.0
+Cl[C@H](C#N)Br,0.0011588570196181536
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9999971389770508
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,4.6792274588369764e-06
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.13066473603248596
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,1.0
+CO,0.001452912692911923
+CNC(=O)Oc1ccc(cc1)c1ccccc1,5.107590368425008e-06
+[O-][N+](=O)c1cccc2c1nccc2,0.9999996423721313
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,4.7967109451096945e-11
+CCOc1ccccc1C(=O)N,1.3555333522319302e-09
+O=NN(c1ccccc1)O,0.4876261353492737
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.9999951124191284
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,5.968252368010463e-12
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,1.0
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.9775940775871277
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,7.054895556635188e-10
+CNC(=O)ONC(=O)C,0.46234121918678284
+CC(C(C)(C)C)OP(=O)(F)C,1.8487650273798107e-15
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1.0
+CC(CNCC(C)C)C,5.89204934842158e-11
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.47165483236312866
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,9.1700502746761e-10
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.999494194984436
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9999998807907104
+Clc1c(O)cc(c(c1Cl)Cl)Cl,1.3597453783591174e-13
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],9.370405926883985e-13
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,5.255611135863869e-18
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,3.0363143110889723e-09
+O=C/C(=C(/C(=O)O)\Cl)/C,0.6546810865402222
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.9999874234199524
+Cn1c(N)nc2c1cc1ncccc1n2,0.9999666213989258
+Cl/C=C(/C(Cl)Cl)\Cl,1.0
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,2.3020744055141053e-19
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9996317028999329
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,4.369553607830312e-09
+C1CCCCC1,0.0012255547335371375
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1.0
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,1.0
+O=Nc1ncn(c1c1ccccc1)C,0.9991304278373718
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,5.308194994668725e-10
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,1.0
+O=c1ccc2c(o1)cccc2,1.0121018931386061e-05
+Nc1ccc(c(c1)Cl)C.Cl,1.0
+OCCOC(=O)C=C,1.1503539210067602e-14
+ClC(C(Cl)Cl)Cl,0.02255275286734104
+O=CC(=C(Cl)Cl)C(Cl)Cl,1.0
+OC(=O)C(Cl)(Cl)Cl,1.3670876342075644e-07
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,5.354407313480518e-19
+CC(=O)NO,0.9999971389770508
+Cc1ccccc1C,8.701127285348775e-08
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,1.0564000845966759e-12
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.9957473874092102
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,3.2366147956208735e-11
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,1.0
+CN(CC[C@@H](N(C)C)C)C,1.2132522417274139e-11
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,4.631847350111684e-09
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.9996687769889832
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,1.2279786460567266e-05
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,2.346963810850866e-06
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,5.709329798264662e-06
+c1ccco1,0.01593886874616146
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],4.443902312800674e-08
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.00012887720367871225
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.9319982528686523
+Oc1ccc(c(c1)C)Cl,0.19895917177200317
+ClCC1=C(Cl)C(=O)O[C@H]1O,1.0
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.5821617245674133
+CCCC[C@H](COCCC#N)CC,1.8521078004596347e-07
+OC[C@H](CN(C[C@H](O)C)N=O)O,1.0
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.0017907463479787111
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.19056212902069092
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.06428827345371246
+CC(=C)C,0.037801869213581085
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,1.0
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],3.866311004499816e-16
+OC[C@@H](CCl)O,0.012161939404904842
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,1.0
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,6.428447704820428e-06
+OCCSN=O,0.9997329711914062
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.9999335408210754
+ClCCNc1ccc(cc1)C,0.8044190406799316
+Nc1ccc(cc1)C(=O)N,0.37894853949546814
+Sc1ccccc1,0.007163616828620434
+CCOS(=O)(=O)C,1.0
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],1.0
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.993155300617218
+CCCCCCCCCCCCOC[C@@H]1OC1,0.794618546962738
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],4.9294986495529436e-14
+CCNc1nc(N)nc(n1)Cl,5.777618350666483e-17
+COC1=CC(=O)C=CC1=O,1.7631329683354124e-05
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,7.897138054602237e-09
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.999415397644043
+CCCCSCCC(C(=O)O)N,1.9696940259383844e-11
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.9983404278755188
+Nc1ccc(cc1C)NOS(=O)(=O)O,1.0
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],1.0
+CCOc1nc(NC)nc(n1)N,2.2140295099770657e-16
+Nc1c2ccccc2nc2c1cccc2,0.9999310374259949
+O1CCOCCOCCOCCOCC1,0.21633665263652802
+C=CC(=O)OCCN(C)C,0.43178215622901917
+CCCCN(CC)CC,2.7846447370194483e-11
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],1.0
+CCC(=O)C=C,1.7413311903524686e-09
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,2.821805031087384e-16
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,3.355381250624845e-10
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,1.7812394219617525e-20
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.5770589113235474
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,1.0
+O=Cc1cccc(c1)Cl,4.8055626318543876e-12
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,1.0
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9999998807907104
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,1.8936498236143962e-06
+ClC(=O)C(Cl)Cl,0.9999998211860657
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,1.450875957640747e-19
+[O-][n+]1ncc2c(c1)cccc2,2.2572657718683553e-12
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,6.415728421416134e-06
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.9999831914901733
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,4.788848354322917e-13
+NCCc1c[nH]c2c1cccc2.Cl,2.182096432079561e-05
+OC(=O)C(Cn1cncc1)N,6.174576992634684e-05
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,5.76670777221246e-16
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.21319647133350372
+COc1ccc(cc1)CNC(=O)C(Br)C,1.0
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,1.0
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.999947190284729
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,5.419054580278834e-18
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,1.0
+COc1ccccc1C[C@H]1CO1,1.0
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9999971389770508
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,1.0
+CNC(=O)Oc1cccc2c1cccc2,2.861441498680506e-05
+CC(C(=O)NCc1ccccc1)Cl,0.99223393201828
+CCC(OC)(C)C,2.3358764575376334e-11
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.32386064529418945
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1.0
+CCN(C(=S)SSC(=S)N(CC)CC)CC,4.494326688586625e-09
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.6384121775627136
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.9938700795173645
+c1ccc2c(c1)ccc1c2nccc1,0.9999992251396179
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,5.869973257466299e-11
+CC(O)C,1.0423825187899638e-05
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.00011671677930280566
+c1ccc2c(c1)occ2,1.7604090771783376e-06
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.19896961748600006
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,4.928280561422582e-10
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,1.0
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.16684091091156006
+C=C1CC[C@H]2C[C@@H]1C2(C)C,7.004015965296484e-13
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],1.0
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,8.762813919696854e-17
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.9999969601631165
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.4275882840156555
+Cc1ccc(cc1)CC[C@@H]1OC1,0.9981395602226257
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,8.628593174166144e-14
+CC(C[C@H](N)C)C,3.723954263988756e-14
+BrCCOC(=O)C(=O)OCCBr,1.0
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.9997795820236206
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,6.462980553257308e-20
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,1.0
+BrCC(CBr)Cl,0.9999998211860657
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,2.1801806724397466e-06
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.963915228843689
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,2.894212901429589e-15
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,1.0
+O=CC(=C(Cl)Cl)Cl,0.9999479055404663
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.9999101758003235
+ClC(C[C@@H]1OC1)(Cl)Cl,1.0
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.9995792508125305
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.0935288518667221
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,3.0206011438849503e-14
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,4.947032817142943e-20
+CBr,0.003801736980676651
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.0580894872546196
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],1.0
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,6.15594069317861e-15
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.9999998211860657
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,6.847123875961787e-20
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,1.2025655471425978e-10
+O=NN(Cc1ccccc1)C,0.999978244304657
+O=C1C(=O)c2c3c1cccc3ccc2,0.5296890139579773
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],7.15130568096356e-08
+COc1ccccc1[N+](=O)[O-],0.9979985356330872
+O=c1cn[nH]c(=O)[nH]1.NCCO,1.0
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,1.0
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,3.3341504470513206e-13
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,1.0
+CCCCCCC(=O)O,8.005095475382973e-10
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,3.1511855347332585e-09
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.6000003218650818
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9996902346611023
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,2.684895491697481e-13
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.021336250007152557
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,3.080224587392877e-06
+Cc1c2ccccc2cc2c1cccc2,0.999996542930603
+COc1ccccc1N.Cl,0.9999998807907104
+[O-][N+](=O)c1cccc(c1C)C,1.3857874137102044e-06
+CCC(c1ccc(cc1)O)(C)C,5.636399680319926e-10
+CN(/N=N/c1ccc(cc1)Br)C,1.0
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,1.0
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,1.0
+Clc1ccc2c(c1)c(N)sn2,1.0
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.9965307116508484
+N1CC1,4.181806434644386e-05
+O=C(Nc1ccc(cc1)O)CC(=O)C,6.988856108419705e-13
+CC(CN(CC(C)C)N)C,3.543159515784211e-11
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.8034390211105347
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,1.0
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,2.870375920671592e-19
+ClCC[N+](CCCl)(C)[O-],0.9999994039535522
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,7.737143391250978e-12
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,4.7905147356114245e-20
+Nc1[nH]cc2-c(n1)ncn2,4.025477267077804e-07
+Fc1ccc2c(c1)nccc2,0.9999917149543762
+N#Cc1cccc(c1)C#N,0.00039954023668542504
+Fc1cc2cccnc2c(c1)F,1.0
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8048436045646667
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,8.033388954054033e-10
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],1.0
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,1.0
+FC(=C)F,9.20478214538889e-06
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,3.82802987984425e-14
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],1.2303620344766841e-08
+Oc1cccc(c1)[N+](=O)[O-],0.022093165665864944
+c1ccc2-c3ncsc3CCc2n1,0.9999954104423523
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,1.0
+O=NN1CCCCC1,1.0
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.1958508938550949
+C=Cc1ccncc1,5.108823643240612e-06
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],4.8855032019901046e-08
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,6.657836593149113e-08
+Oc1ccc(cc1)c1ccc(cc1)O,0.22761324048042297
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,4.6975278510718064e-24
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,2.367617600319274e-15
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,2.3185042158074545e-20
+CC(CON=O)C,0.9999734163284302
+CC[C@H](c1ccccc1O)C,1.2769740820317566e-09
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,1.0
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.19995570182800293
+ClC(=O)Cc1ccccc1,0.8029180765151978
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,1.317243675247326e-10
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.9999092221260071
+Nn1nnc2-c(c1O)nc1c2cccc1,0.20677323639392853
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,4.69154550922569e-18
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,1.0
+OCCCCO,1.087407781596994e-06
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,8.512541285199404e-07
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.9999938011169434
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.8487159013748169
+BrCC1=C(Cl)C(=O)OC1,1.0
+CC[P@](=S)(Sc1ccccc1)OCC,1.2018290362902917e-06
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,5.172788308804854e-10
+ClCCN(c1ccc(cc1)C)CCCl,0.999976634979248
+ClCCP(=O)(O)O,0.0005465872236527503
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,1.0005627615328194e-07
+Cc1cc(C)c(c(c1N)C)N,0.9998607635498047
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,1.0
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,1.0
+O=C1C=Cc2c3c1cccc3ccc2,0.9999951124191284
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6037078499794006
+CNC(=S)N(C)C,7.773731454108201e-07
+c1ccc(cc1)c1ccc(cc1)CC1CO1,1.0
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,1.3059477110832773e-10
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],1.0
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,1.2719594622012664e-07
+O=CC=O,0.17457136511802673
+Cc1ccc(c(c1)O)C,0.3880413770675659
+COc1cc(N)ccc1NC(=O)C,0.9953464269638062
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.9488614797592163
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.9999997019767761
+CC(=O)NNc1ccccc1,1.0
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.9999537467956543
+Clc1cccc2c1oc1c2cccc1,0.00022938117035664618
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,1.0
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.7998723983764648
+C=CC(=O)OCCOCCOC(=O)C=C,2.654728632478509e-06
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,4.6956211008364335e-05
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,1.3444962121411663e-07
+CCCCOS(=O)(=O)C,1.0
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9999970197677612
+NC(=O)N/N=C/C(=O)O,0.01698911003768444
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,5.052073674960411e-07
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,9.010450619271549e-16
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1.0
+C=C[C@@](CCC=C(C)C)(O)C,1.133582464007965e-11
+OCCN(C(=O)N)N=O,1.0
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,1.301191190350437e-07
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.9999950528144836
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.26577436923980713
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.9999217987060547
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5813671350479126
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,1.4828076928097289e-05
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.9999411702156067
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.928631603717804
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,3.257289790781215e-06
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,1.0
+Nc1ccc(c(c1)C)N,0.9999969601631165
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.21275286376476288
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,1.5810193872312084e-05
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,5.167479291690036e-11
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.9999998807907104
+O=C1CCC(=O)N1c1ccc(cc1)Cl,3.445953966618731e-09
+CN(N=Nc1ccc(cc1)Cl)C,0.9999987483024597
+CC(Cc1nccs1)C,2.5207835278706625e-05
+NC(=O)c1c(Cl)ccc(c1Cl)O,1.1155946999519273e-10
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,1.5759899979697187e-18
+OC(=O)c1cc2ccccc2cc1O,0.11274611949920654
+Oc1ncnc(c1)O,1.7224174864161057e-10
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8336107134819031
+Nc1cccc(c1)S(=O)(=O)O,1.1680862006813175e-11
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1.0
+OC/C=C(/CCC=C(C)C)\C,5.448366367441504e-13
+O=CC(=O)c1ccccc1,2.9874360052417614e-07
+CNc1snc2c1cccc2,3.3501950383652e-05
+Cc1ccccc1c1nc2c(o1)cccc2,7.438224969291696e-08
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,1.3571255230715451e-09
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],1.0
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.9999994039535522
+[O-][n+]1cccc2c1c(O)ccc2,0.5390738248825073
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,3.5499237673392045e-18
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9999996423721313
+C[Si](O)(C)C,1.541036726848688e-05
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.015939781442284584
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,1.0
+Nc1cccc2c1ccc1c2cccc1,0.9983528256416321
+O=C/C(=C(/C(=O)O)\Cl)/Cl,1.0
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.9692188501358032
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.9080531001091003
+Fc1ccccc1c1ccccc1,0.802432656288147
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,1.0
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.9638303518295288
+CNC(=O)CSP(=S)(OC)OC,0.004410262685269117
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,1.0
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,1.2113321812142387e-18
+Nc1ccc(cc1C)S(=O)(=O)O,0.5537333488464355
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,1.0
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,5.082034135739377e-07
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.00031113740988075733
+CC(=O)Cl,0.9999987483024597
+CCCCCl,0.024996628984808922
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,5.449992386274971e-07
+ClSC(Cl)(Cl)Cl,0.0033251536078751087
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,1.0
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,8.186969852053139e-11
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.9996927976608276
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,1.6531648725504056e-06
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0.0
+Clc1c(Cl)cccc1Cl,1.1519349385480382e-07
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,1.0
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.5369022488594055
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,2.155470024689521e-09
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.18654580414295197
+CCC(=O)Nc1snc2c1cc(C)cc2,0.007431144826114178
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,1.0
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,2.5893709919289076e-12
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,2.7047942878499764e-12
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,5.679383630052826e-10
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,9.298742331687038e-11
+CC(F)(F)F,1.1890055020558066e-06
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,7.75720113144196e-12
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.999254584312439
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.9998887777328491
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.999886691570282
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.872754693031311
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.9999996423721313
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,5.166950609087985e-18
+c1ncn[nH]1,0.0001954237959580496
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,1.7227289473426e-12
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.7870675325393677
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],1.0
+Fc1ccccn1,2.818467237375444e-09
+COP(=O)(OC)O,0.5823274850845337
+CCCCCCN(C(=O)N)N=O,0.9281735420227051
+Clc1cc(Cl)c(cc1O)Cl,2.611273974828521e-10
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9880582690238953
+SCC(C(=O)O)NC(=O)C(S)(C)C,2.6393030122529026e-11
+C[C@H](c1ccccc1)O,0.00012539896124508232
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,3.0485920168414086e-24
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,4.7835940070184435e-11
+NCP(=O)(O)O,3.506472694425611e-06
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,3.310438132387433e-13
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,1.0
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,3.0046958349834253e-19
+C/C=C(\C=O)/Cl,1.0
+[O-][N+](=O)c1ccccc1c1ccccc1,1.0
+OC1OC(=O)C=C1CCl,1.0
+CCCCOC(=O)C(=C)C,4.45746439975761e-13
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,1.0
+C1CCc2c(C1)cccc2,0.6673725247383118
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.002331430558115244
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,1.0
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.002436381299048662
+CN(CCN(c1ccccn1)Cc1cccs1)C,1.8413102473976338e-18
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,5.498463013023369e-13
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,8.41190855137969e-16
+Cc1cccc(c1)Br,9.813557496672425e-16
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],1.0
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,1.0
+c1ccccc1,1.7661508536548354e-05
+C=CC=C,6.627435027439788e-07
+COc1cc(=O)[nH]c(=O)[nH]1,4.9940961616812274e-05
+CC1=CC1,2.780603081120603e-09
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9999974370002747
+COc1cc(N)cc(c1N)OC,0.9999996423721313
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9983459711074829
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,1.0
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,2.5040827744682304e-10
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,9.1050242900792e-09
+NNCCO,1.752400180521363e-06
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,7.857340558768105e-19
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,3.006923594665867e-14
+Fc1cccc2c1nccc2,1.0
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.9999688267707825
+N#CCCCCC#N,1.4010795439389767e-06
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,1.0
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,6.33323350016682e-18
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,1.3029293199906533e-07
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,2.6266504526972767e-09
+COS(=O)(=O)OC,0.9999988675117493
+CCCCCCC=C,7.255888334611882e-09
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,1.0
+CO/N=C(\c1ccccc1CO)/C(=O)NC,2.795027935226929e-13
+O=C1CCCCC1=O,4.176105449005263e-06
+Oc1ccc(cc1)O,1.2714483546005795e-06
+C1CC2=CC3C(C=C(C1)O2)O3,2.6891109783377942e-08
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,2.250750174950663e-19
+OCC1CCCO1,1.4733162061020266e-05
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],3.105633439304256e-08
+O=C(c1ccccc1O)OCc1ccccc1,0.9978019595146179
+O=Nc1cccc(c1)C,1.0
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,1.6632224764112635e-10
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,1.0
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,1.0
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9998227953910828
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,2.3285866568301117e-09
+CN(C[C@@H](Cl)C)C,0.20083317160606384
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1.0
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,2.5533168912517112e-09
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,1.0
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.9999988675117493
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.17829486727714539
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.6091404557228088
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.9999791383743286
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1.0
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1.0
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,1.0
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,4.210766082078269e-28
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,1.0
+CCO[Si](OCC)(OCC)C,7.293531962204725e-05
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],1.0
+CC(Br)C,0.8324273228645325
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.5528661608695984
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],1.0
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.4010920524597168
+COC(=O)c1sccc1S(=O)(=O)N,1.7756111790914258e-17
+CC(COS(=O)(=O)c1ccccc1)C,1.4713108509312178e-10
+Oc1ccc2c(c1)nc([nH]2)N,8.794961203761886e-09
+[O-][N+](=O)c1cccc2c1snc2,0.9999982714653015
+Oc1cc(Cl)c(c(c1)Cl)Cl,2.788556495089689e-12
+CCc1ccco1,1.3553183180192718e-06
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,1.0
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],4.8863655344177914e-09
+COC(=O)c1ccccc1NC,0.022339705377817154
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.10043696314096451
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,1.0
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,4.729339749681705e-12
+COc1ccc(cc1)CC1OC1,1.0
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9999963641166687
+N#N=NCC(C(C(C(C=O)O)O)O)O,1.0
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,1.0
+COCCOCCO,0.1008203774690628
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,2.356332515773829e-06
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6037078499794006
+Nc1ccc2c(c1)nc1c(c2)cccc1,1.0
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.0009488404029980302
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.0007647469756193459
+Nc1ccc2c(n1)no[n+]2[O-],0.9992009401321411
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9999811053276062
+OCc1ccc(cc1)C#N,5.748132934968453e-06
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,2.187793810047925e-13
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,4.469662973072275e-10
+O=NN(C(=O)c1c(NC)ncn1C)C,1.0
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,7.696158377257234e-08
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.9999963641166687
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.7988239526748657
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1.197254619000887e-06
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],1.0
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,6.194084741645289e-12
+NC(C(=O)O)C(C)C,1.9954832168878056e-06
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,3.698590717249317e-06
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,9.636832542557288e-16
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,1.0
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.30214911699295044
+Cc1cccc(c1)C(=O)O,7.901531944298767e-07
+CCOc1nc(N)nc(n1)N,4.1115347888462384e-13
+CCCCCCCCCCCCOS(=O)(=O)O,2.2540174171581384e-09
+OC[C@H]1CO1,1.0
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.9999947547912598
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.9999817609786987
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,1.0
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.8493427038192749
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,2.5225432615643155e-16
+OC(=O)c1ccccc1O.[Na+],1.5298617928038993e-09
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,2.4394237596315734e-15
+ClCc1ccc(cc1)CCl,0.2212134152650833
+CCCCOCCOCCO,9.253425378119573e-05
+Cc1ccc(cc1)NN=NCc1ccccc1,0.999977707862854
+CC1=CC[C@H](CC1)C(=C)C,3.332657066978939e-11
+CCN(CC)CC,4.719147455034545e-06
+OC/C=C(\CCC=C(C)C)/C,5.448366367441504e-13
+CCCCCC,2.7633950594463386e-06
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9999998807907104
+CN(C(=O)Cl)C,0.0066034188494086266
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.9999995231628418
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.024690208956599236
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.9999983906745911
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9985130429267883
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,4.843821807298809e-05
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,2.1460058730049525e-10
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,1.0
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.20092463493347168
+Cc1cc2c(nc1N)[nH]c1c2cccc1,1.0
+CCCCOC(=O)c1ccc(cc1)O,1.800419318278626e-17
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,2.7836199599680367e-14
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,1.182720033021667e-10
+CNc1ccccc1,0.5235317945480347
+C1CCC2C(C1)c1ccccc1C1C2O1,6.51114229199834e-09
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.985808253288269
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,5.4275316608686647e-14
+OC1=CC(=O)C1=O.[Na+],4.8719084322357276e-12
+Sc1nc2c([nH]1)cccc2,0.0006319297244772315
+Nc1ccnc2c1cccc2,0.999673068523407
+CCCCCOC(=O)C(=C)C,1.633580830285794e-13
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,7.453178428162149e-16
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.7988239526748657
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.9428637623786926
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,1.9479391433208093e-09
+CCO[P@@](=O)(N(C)C)C#N,5.928837976121315e-11
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,2.7029761024060584e-16
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1.0
+[N-]=[N+]=NC[C@@H](CO)O,1.0
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.5776633024215698
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.9999997019767761
+OC(=O)CI,2.0630161543522263e-06
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.9994333386421204
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,8.701914566699998e-07
+Cc1ccc(cc1)[N+](=O)[O-],0.9999278783798218
+COc1nsc2c1cccc2[N+](=O)[O-],1.0
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9999920725822449
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,5.272089764806007e-16
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,2.6097881315875412e-14
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.9368764162063599
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],1.0
+C1CCC(CC1)NSc1nc2c(s1)cccc2,1.1182937242892876e-08
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,1.0
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,1.0005492317018942e-17
+[O-]Cl.[Na+],0.0001450751005904749
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.9915692210197449
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,1.0
+O[C@@H]([C@H]1CO1)CO,0.9999982118606567
+C/C=C\C=O,0.9999996423721313
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,2.487652272975538e-05
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.22713544964790344
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,7.7194960326883915e-28
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,1.0
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,7.52874895409328e-18
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7998723983764648
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,8.300717968881544e-13
+Nc1ncnc2c1nc[nH]2,0.9999746084213257
+Clc1ccc(c(c1)C)N,0.9999994039535522
+OCC(=O)O,7.846500011510216e-06
+O=NN(Cc1ccc(cc1)F)C,0.8825887441635132
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,1.0
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,2.775232932350491e-09
+CC(=O)Nc1ccc(c(c1)N)C,0.999903678894043
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,1.0901074964583812e-12
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.9999920725822449
+OC(=O)C(CCS(=O)(=N)C)N,3.65747796632343e-12
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.8984483480453491
+CC(=O)C(=C)C,0.9999993443489075
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,1.0
+CSCNc1ccccc1OC,0.9929636716842651
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,1.0
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,1.9034836207243444e-10
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9999784231185913
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.9998952746391296
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,1.0
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,8.516167326888535e-08
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.7933505773544312
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.0017133643850684166
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,2.7427266104496084e-05
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,4.749279636229176e-09
+Oc1ccc(c(c1)Cl)Cl,6.978762012721518e-11
+CNc1ccccc1N,0.6184331774711609
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.9999963641166687
+Clc1ccc(c(c1)Cl)C(=O)O,1.5548857845715247e-07
+COC(=O)c1ccc(cc1)C,1.5398687480683293e-07
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.15115027129650116
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,1.7120248685387196e-06
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,4.438293062605271e-14
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9999998807907104
+CCCn1c(OCCC)nc2c(c1=O)cccc2,2.6792840168710086e-10
+COc1ccn(c(=O)n1)CC(CN=N#N)O,1.0
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,1.0
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,1.2202951255274423e-14
+OCNC(=O)c1ccc(cc1)Cl,1.938278515467573e-08
+CC[C@H]([N+](=O)[O-])CO,4.685035454206343e-13
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.0006554079009220004
+OCC=O,0.09494148194789886
+CCCCNCCCC,2.3895398726381245e-07
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],1.0
+OC1CCCCC1,0.0062640272080898285
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,8.905749401821872e-13
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,3.617541596140361e-12
+C/C(=N/O)/C(=O)C,3.6804323144679074e-08
+CCCCON=O,1.0
+OC1CC=Cc2c1nccc2,0.014318406581878662
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.003187368158251047
+Cc1ccccc1c1ccccc1,2.0534793293336406e-05
+COCC(=O)Nc1c(C)cccc1C,0.3208719789981842
+CCC/N=N/O.[K+],1.0
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,2.7374677177838258e-11
+CC(=O)C(Cl)(Cl)Cl,3.3021528622612095e-08
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.9004505276679993
+Fc1cc2ccccc2c2c1cccn2,1.0
+Nc1ccc2c(c1)[nH]c1c2cccc1,1.0
+C[C@H](CN1C[C@@H](OC1=O)C)O,3.129734027496056e-09
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],1.0
+OC[C@@H](CBr)Br,0.9999994039535522
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,1.0
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.0012016758555546403
+O1C[C@@H]1c1ccccc1,1.0
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.0004621619009412825
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,1.0
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1.0
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,1.0
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.6069251298904419
+NCC(=O)O.Cl,7.976349615523848e-13
+[O-][N+](=O)OCCN([N+](=O)[O-])C,1.0
+OCCCN(N=O)CC,1.0
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,7.793062763994385e-07
+CCCC[C@H](C=O)CC,6.501088112287334e-09
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,2.849984026553898e-09
+Nc1cccc2c1cc1ccccc1n2,0.9999958872795105
+CNCCCN1c2ccccc2CCc2c1cccc2,1.9226354449480842e-12
+OCC(C(C(C(C(=O)O)O)O)O)O,6.259964493438019e-07
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9999822378158569
+Nc1cccc2c1c(N)ccc2,0.9870506525039673
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.999980628490448
+CCC#N,0.0003315769135951996
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.0007589836022816598
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9999996423721313
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.9999960064888
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,1.0
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,3.605486926971935e-05
+Nc1ccc(cc1)c1ccccc1C,0.9448038935661316
+COc1nsc2c1ccc(c2)OCC1CO1,1.0
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1.0
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,8.814703411630376e-10
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,1.0
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,1.0
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,3.0109202891343e-12
+CCCCN(CCCO)N=O,1.0
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,1.0
+CC[C@H](N)C,6.174385221852097e-12
+Nc1cccc(c1)O,0.9643298387527466
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,1.0
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.9160850644111633
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.9714152216911316
+NCCNCCNCCNCCN,0.6310704946517944
+NC=O,4.180072937742807e-05
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,6.940623076268082e-10
+CCCCCCCCCCOC(=O)C(=C)C,1.633580830285794e-13
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.999669075012207
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.1799997091293335
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.9794008135795593
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,1.6685508796854265e-07
+O=C1C=CC(=O)C=C1c1ccccc1,0.061814285814762115
+C/C=C/C=C/C(=O)O.[K+],6.26840051219657e-13
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,4.707079170884754e-09
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.9999209642410278
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1.0
+CCSCCOP(=S)(OCC)OCC,8.579583441262195e-13
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,1.0
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,1.096558431039699e-17
+CCCOS(=O)(=O)C,1.0
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,1.0
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,6.953253759341149e-16
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.9999993443489075
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,1.0
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,5.467270516520961e-13
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.12848208844661713
+O(Cc1ccccc1)Cc1ccccc1,0.9999769330024719
+CCN(c1ccccc1)Cc1ccccc1,0.15315355360507965
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.9612952470779419
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,3.57280614734232e-17
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,1.0
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.0025587056297808886
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,1.0
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.7018418312072754
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,1.0
+Cc1cscc1,7.055420610413421e-06
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.42326679825782776
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,3.3810335453857307e-18
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,3.3401348353834237e-09
+COCCOC(=O)C,1.0
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,9.126327495323494e-05
+CN(C#N)C,0.7478910684585571
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,4.1486197810414183e-10
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.6453619599342346
+N#CCc1ccc(cc1)Cl,6.416209430426534e-08
+CC12OOC1Oc1c2cccc1,0.3654116690158844
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,2.4058717257996465e-15
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.006448706146329641
+O=NN1CCN(CC1)C,1.0
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.8002950549125671
+C[C@@H](c1ccccc1)N(C)C,1.4616201582384747e-09
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,5.952420223387378e-10
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,5.181365319434361e-12
+[O-]P(=O)([O-])[O-].[Fe+3],0.00045057255192659795
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1.0
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,1.0
+O=C1CSC(=S)N1,0.24880366027355194
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,2.8632803593386935e-14
+Clc1ccc(c(c1)N)C,0.8426517248153687
+CC(COC(=O)Cc1ccccc1)C,4.059164524721859e-17
+O=C(c1ccccc1)C(=O)C,3.72154715932993e-07
+Fc1c[nH]c(=O)[nH]c1=O,2.7055496731875905e-11
+CCCCC1CO1,5.780727406090591e-06
+BrCc1ccc(cc1)CBr,0.7266205549240112
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.9999327659606934
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,1.0
+N#N=NCc1ccccc1,0.9999994039535522
+O=NN1CSCC1C(=O)O,0.0005344253731891513
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9996477365493774
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.38865959644317627
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,2.9255827302352052e-18
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],1.0
+CC(C1=CC(=O)C(=CC1=O)C)C,1.9454382993444597e-08
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,2.9876574103582243e-07
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,2.8250649819483442e-08
+O=NN(Cc1ccc(cc1)Cl)C,0.26246875524520874
+OC1C=Cc2c(C1O)ccc1c2nccc1,1.0
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,3.5691995149342293e-13
+O=C1c2ccccc2CCc2c1cccc2,0.9999935030937195
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,1.0889691058613149e-11
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,4.8683546083339024e-08
+CC(=O)Nc1ccccc1C,2.0470100935199298e-05
+O=C1C=C(O)c2c(C1=O)cccc2,1.0
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,1.0
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,1.0726729726684425e-07
+Nc1ccc(c(c1Cl)Cl)Cl,8.77676357049495e-05
+Nc1cc([N+](=O)[O-])c(cc1F)N,1.0
+CC(=O)c1ccncc1,0.002090610098093748
+Cc1nc2c(s1)cccc2,3.5165128338121576e-06
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,6.447810847021174e-06
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,1.0
+BrC(C1=C(Cl)C(=O)OC1)Br,1.0
+Cc1cc2ncccc2c2c1n(C)cn2,0.9999994039535522
+Nc1ccc(c(c1)[N+](=O)[O-])N,1.0
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,1.0
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,1.0
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,4.6120406310598494e-18
+Nc1ccc2c(n1)[nH]c1c2cccc1,1.0
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,1.0
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,5.07989180234536e-12
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.9999960064888
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,3.081323003496982e-19
+Fc1ccc(c(c1)[N+](=O)[O-])F,1.0
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,1.0
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,9.308564336008018e-12
+OC(=O)[C@H](O)C,1.6552554882309778e-09
+OC(=O)C(Cl)(Cl)C,7.920307689346373e-05
+CCCC,5.826006599818356e-06
+ONc1ccc2c(c1)cccc2,0.00011857465142384171
+Fc1cnc2c(c1)cccc2,2.6042771423817612e-05
+Oc1ccc2c(c1)cccn2,5.7273289712611586e-05
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,1.0
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,9.213847383581193e-18
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,4.973562777365377e-22
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.8245857954025269
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,4.3967781019442786e-23
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,7.037138857413083e-05
+OCC(Cl)Cl,2.203341409767745e-06
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,1.098477975247647e-10
+O=NN(Cc1ccc(cc1)Br)C,0.24261882901191711
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,2.7992730778789704e-18
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,3.1601597782218212e-18
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.3389146625995636
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.002932269126176834
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.24727728962898254
+Clc1nncc2c1ccnc2,3.3214852038481596e-14
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,1.0
+C=C[Si](Cl)(Cl)C,0.00029806484235450625
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,1.0
+CC(COC(=O)C(=C)C#N)C,2.2993117454461753e-06
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,1.0
+Cc1cc(N)cc(c1)N,0.9999982714653015
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,1.898374124564839e-09
+ClC=C(Cl)Cl,0.22620896995067596
+O1CC1Oc1ccccc1,1.66059770378979e-08
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,1.0
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],3.150099972537568e-11
+[O-][N+](=O)c1cccc2c1c(C)ccc2,1.0
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,1.9874754619841895e-10
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+CCOC(=O)C=C,5.391310314850628e-11
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,8.728582301387178e-10
+OCC(COP(=O)(O)O)O,1.5341125897957926e-16
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,5.015965598431649e-07
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,1.0
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,1.0
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,1.0
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,1.0
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,1.0
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,3.3344663788262923e-18
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,1.0
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.9890114068984985
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.23201243579387665
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,1.13868418338825e-05
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.9999998211860657
+Clc1ccc(cn1)Cl,2.1308598982527904e-11
+CC(S(=O)(=O)Cl)C,0.0005642863688990474
+OCCCCN(N=O)C,1.0
+c1ccc2c(c1)cccc2,0.00147822720464319
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,2.387967334982477e-08
+ClCCN([P@]1(=O)NCCCO1)CCCl,1.0
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,1.0
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,1.5293396205949492e-21
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,1.7719967854157304e-11
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.6008251905441284
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.0002785203396342695
+C=C[C@H]1CO1,1.0
+OC(=O)/C=C/c1c[nH]cn1,5.602636132806538e-10
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,1.867345542110781e-15
+Oc1ccc2c(c1)oc(=O)cc2C,1.1856443826729901e-08
+S1CC1,0.9999914169311523
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1.0
+Clc1cc(Cl)c2c(c1)c(N)sn2,1.0
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,2.58371080606723e-12
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,7.014628784201996e-28
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,1.0
+c1ccc2c(c1)[nH]c1c2ccnc1,0.9999983906745911
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],1.3697147443900637e-15
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,6.903620669618249e-05
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9998754262924194
+OC[C@H]([C@H](CO)O)O,0.00048662832705304027
+C[C@@H]1O[C@@H]1C,0.2542288303375244
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,3.576731776893965e-36
+OC(=O)Cc1c[nH]c2c1cccc2,2.2160454591357848e-06
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,1.0
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.9999991655349731
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+Clc1[nH]c(=O)c(cc1Cl)Cl,3.8710144423248494e-08
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,1.2144917016509993e-11
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.12334748357534409
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,7.025961479278919e-10
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,1.7729859464257758e-12
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,1.8989460670582048e-08
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],1.8245852745346625e-11
+CCOC(=O)NNc1nncc2c1cccc2.Cl,1.0
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],1.4937748625268482e-18
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.30717360973358154
+c1cc2ccc3c4c2c(c1)cnc4ccc3,1.0
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,7.989750083325226e-15
+O=C1C=CC(=O)N1,9.356720511277672e-06
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.984963595867157
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,1.1894894367016617e-20
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,6.632603481457623e-17
+O=Cc1ccco1,6.973614745220402e-06
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],2.1040596565394254e-14
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.7994795441627502
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.999984860420227
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+COc1ccc(c(c1)OC)N.Cl,1.0
+CC/C=C/C=O,0.2287290096282959
+C=CC(=O)NC(CC(=O)C)(C)C,6.0300555035906235e-15
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,1.0
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.15203964710235596
+OC(=O)CC[C@@H](C(=O)O)N.O.N,4.3127088567018745e-09
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1.0
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.46786680817604065
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,7.872612284298697e-11
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,8.881222979262304e-10
+CCC([N+](=O)[O-])CC,0.16040262579917908
+c1ccc(nc1)c1ccccn1,0.9834507703781128
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9372540712356567
+BrC=C,0.015200654044747353
+O=C=Nc1cccc(c1C)N=C=O,0.08528593927621841
+CCCCCCC1OC1,5.780727406090591e-06
+Oc1ccc2c(c1N)cccc2,0.00739183509722352
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.9999998211860657
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.7988239526748657
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.9999998807907104
+Cc1ccc(cc1)O,2.0661509836372716e-07
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.9999979138374329
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,1.0
+OC(=O)Cc1ccc(c(c1)O)O,0.5950785875320435
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,1.0
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.0002081336424453184
+ClCC1=C(Br)C(=O)OC1,1.0
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.986047089099884
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,7.300080824279576e-07
+Oc1cc(O)c2c(n1)cccc2,5.2099321692367084e-06
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,1.0
+ClCCNc1ccc(cc1)CCCC(=O)O,1.0
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.6007684469223022
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,5.052942656305626e-13
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1.0
+CCCCCCCCC(=O)OCC=C,1.1951119631703477e-05
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,8.63531560880038e-16
+CC(C1CCC2(CC1)OC2)(C)C,1.21842120393012e-07
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,2.1236066913843388e-06
+Clc1cccc(c1)C(=O)Cl,0.01355001050978899
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9274749755859375
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,1.0
+Nc1ccc(c2c1cccc2)N,0.9999811053276062
+Clc1ccccn1,0.0007544153486378491
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9999998807907104
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,1.0
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.5971363186836243
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,6.385081352533462e-11
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,1.0
+NC(C(S)(C)C)C(=O)O,5.180960442885407e-07
+Cl[C@@H](c1ccccc1)C(=O)Cl,1.0
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,4.193710978483978e-08
+O=c1[nH]cnc2c1cccc2,3.3766017537573134e-08
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,1.0
+COC[C@H]1CO1,1.0
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,1.0
+Fc1cnc2c(c1)c1ccccc1cc2,0.5527812242507935
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.46028271317481995
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,1.099871062282265e-11
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.9987616539001465
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9999998211860657
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,1.5732168776594335e-06
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],6.917949720020022e-12
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,1.0
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,1.0
+O=Cc1ccccc1,8.095506686886522e-13
+OC(=O)CCCCC(=O)O,3.072291656280868e-05
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,2.47736483020497e-13
+c1ccc2c(n1)c1ncccc1cc2,5.032418812334072e-06
+C1N2CN3CN1CN(C2)C3,0.9999988675117493
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,1.0
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.0540718212723732
+Cc1ccc(cc1)c1nc2c(o1)cccc2,2.833735156249073e-11
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.07065505534410477
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.9999935030937195
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,6.754591524240515e-24
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.0003418944252189249
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.6144768595695496
+O=C1NCC[n+]2c1cccc2,0.6672016382217407
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,1.0
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,2.6097881315875412e-14
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,6.9813159697673655e-09
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.9970348477363586
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,5.268664045929956e-16
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.985627293586731
+S=C1NCCN1,9.404486078778973e-09
+c1ccc(cc1)[Se][Se]c1ccccc1,0.006342110224068165
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,7.4282828776972565e-09
+O=CC=CNCCCCC(C(=O)O)N,0.998228907585144
+CCCC(=O)O,2.0652574050927797e-07
+COc1ccc(ccc1=O)[N+](=O)[O-],0.9999871253967285
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,1.0
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,1.0
+FC(n1c(C)n[nH]c1=O)F,3.215286584613668e-14
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,1.0
+c1ccc2c(c1)c(ccc2)CC1CO1,1.0
+Cc1ccc(c(c1)C)N,0.9999995231628418
+OC(=O)C(CC(=O)O)(CC(=O)O)O,1.8258913314639358e-07
+CCCCCCOC(=O)c1ccccc1,3.985970951911737e-17
+OC(=O)C=C,1.5694110970798647e-06
+Cn1ccnc1S,0.10490107536315918
+C1CCC=CC1,0.8061953783035278
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,3.5198606589082956e-14
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.000300196697935462
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.9999998807907104
+COc1ccc(cc1)[N+](=O)[O-],0.4093470573425293
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,3.6700064645275865e-13
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],2.57048217120186e-20
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,1.0
+OCC12OOC2(CO)Oc2c1cccc2,7.09998348611407e-05
+Clc1cc(N)c(c(c1)Cl)O,0.8192775845527649
+Cn1c(N)nc2c1cc1ccccc1c2,0.9999970197677612
+CCOc1ccc(cc1)NC(=O)N,0.24465493857860565
+OC(COc1cccc2c1cccc2)CNC(=O)C,4.895291638717936e-08
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.9999826550483704
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,2.5874429411487654e-05
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,7.872701796030057e-11
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,1.1082372660456395e-30
+CCCC[C@H](COC[C@H]1CO1)CC,0.004376623779535294
+BrCCC(CCBr)(CO)CO,0.3769855201244354
+COC12OOC2(C)Oc2c1cccc2,0.9767431020736694
+COc1nncc2c1cncc2,5.3271394286647994e-17
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.2055421620607376
+BrCC(=O)c1ccccc1,0.7953804731369019
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,9.882894858037616e-08
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,1.1832664594091967e-25
+S=C=NCCc1ccccc1,9.712380233395379e-06
+O=C1NS(=O)(=O)c2c1cccc2,9.504876456078093e-16
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,1.0
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.636143338146212e-06
+O=C(c1ccccc1)/C=C/c1ccccc1,5.558370617109176e-07
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.1392284482717514
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,1.0868356826218128e-14
+CC(=C)OC(=O)C,2.3216236225143128e-11
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.0031787590123713017
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],4.3865547922905535e-05
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,6.739807496825012e-12
+NC(=O)NCC=C,2.418013309579692e-07
+CCc1cccc(c1NC(=O)C)CC,0.9988792538642883
+COS(=O)(=O)F,0.0022801298182457685
+CN1CN(C)CSC1=S,1.0
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,1.0
+C/C=N\O,5.1009392336709425e-05
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9999996423721313
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.9999996423721313
+CCCCCCCC(=O)O,2.4025210709766043e-09
+ClCCOC(=O)C=C,0.00027529761428013444
+NC(=S)NCC=C,0.7586279511451721
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,5.738423330400389e-15
+On1nnc2c1cccc2.O,5.843500054496242e-13
+CNC[C@@H](c1ccc(c(c1)O)O)O,6.40856129014572e-13
+C1CCC(CC1)N=C=NC1CCCCC1,3.9289922426632984e-08
+c1ccc(cc1)Cn1cncc1,5.5740638345014304e-05
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.9998353719711304
+O=CN(C(=O)N(C)C)C,0.0039028958417475224
+CCn1c(N)nc2c1ccc1c2cccn1,1.0
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,1.0
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.2539384067058563
+CCCCOCC(=O)O,1.5562114891381164e-18
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.9999793767929077
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,4.102815331375589e-30
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,1.1298857682806585e-11
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.9999998807907104
+Ic1cc(Cl)c2c(c1O)nccc2,0.00804867036640644
+COc1nc(NC(=O)N)nc(c1)OC,2.9703676584363903e-12
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,1.0
+Oc1[nH]nc2c1cccc2,1.7335561805498223e-11
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,6.598547229452745e-12
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9999990463256836
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,1.0
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.28439468145370483
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,2.402402549898236e-13
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,1.0
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,3.716916632352551e-23
+FC(C(F)(F)F)Cl,1.3206501864315712e-12
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.026058722287416458
+CC(c1ccccc1)Br,1.2372735214843944e-12
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],9.179960613892035e-08
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.1243886798620224
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,1.0
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,4.503417423688978e-16
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9999998211860657
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,1.0
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.015466245822608471
+N#Cc1ccc2c(c1)n(C)c(n2)N,1.0
+C/C=C\C=C,0.9995402097702026
+OCc1c(N)cccc1[N+](=O)[O-],3.82911281349152e-07
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,1.7844742350447973e-10
+CC(=O)N(C)C,0.15664628148078918
+NCCC(N)C,4.948490076907286e-13
+CCCSP(=O)(SCCC)OCC,2.8349322889198447e-08
+OS(=O)(=O)O.COc1ccc(cc1N)N,1.0
+ClC(C(C(F)(F)F)(F)F)Cl,3.58639414823822e-13
+Oc1ccccc1c1ccccc1,0.003997582942247391
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.11922623962163925
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,1.0
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.6588186025619507
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,1.1256035547605185e-17
+C/C=C/c1cc(OC)c(cc1OC)OC,0.999996542930603
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,5.252076516626403e-05
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,4.919088053556564e-11
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,1.0
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,1.0520602441712952e-21
+COc1c2cc3OCOc3cc2nc2c1cco2,0.9999958276748657
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.9999998807907104
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,3.099811699939188e-17
+Clc1cc(Cl)nc(n1)Cl,9.40371218394187e-12
+BrCC(C)(C)C,0.6464303731918335
+C1NCCS1,8.466348617730546e-07
+O=C1CCc2c(O1)cccc2,0.010704568587243557
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,1.0
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,2.572002095382587e-26
+CC(=O)Oc1cccc2c1nccc2,0.7769411206245422
+OC(=O)/C=C/c1ccc(c(c1)O)O,4.2730885496666815e-09
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,1.0
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,3.8167060657789964e-14
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9818937182426453
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],1.0
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,1.0
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,1.8869899132828438e-13
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,3.362396940633801e-24
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.9909311532974243
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.9999995231628418
+COc1cc(N)c(cc1N)C,1.0
+N#N=Nc1nc2c(n1C)cccc2,1.0
+Clc1ccc2c(n1)cccc2,3.857826959574595e-05
+CNC(=O)C1=NN=C([CH]1)Br,6.28138968750136e-06
+ClC[C@@H](CBr)Br,0.9999986886978149
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,1.9048131974996278e-15
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9999936819076538
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,6.205556495096978e-15
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],1.2625938072829967e-09
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9999983906745911
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,1.0
+O[C@@H](c1ccccc1)C#N,7.232771326304288e-11
+C/C=C/c1ccc(cc1)OC,3.328235465005491e-08
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,1.0
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,5.23041521205414e-08
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],1.0
+CNC[C@@H](c1cccc(c1)O)O.Cl,1.2908991948612487e-20
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],1.0095912753266094e-15
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,1.9881184643456146e-15
+Nc1sc2c(n1)C1CCCNC1CC2,0.866137683391571
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,8.816182450743781e-09
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.0003893235407304019
+CC(C(=O)O)Cl,1.384063885723208e-08
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,1.0
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,3.3823121432739723e-16
+[N-]=[N+]=CC(=O)NCC(=O)N,1.0
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.9960214495658875
+OC(=O)COc1ccc2c(c1)cccc2,1.9402075501773197e-09
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,4.140094347349077e-07
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,5.670808654070573e-18
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,1.4501142509004694e-08
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.8363731503486633
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.9999997019767761
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.999767005443573
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.0002144381869584322
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,1.0
+CCn1c(N)nc2c1c(C)cc1c2cccn1,1.0
+Clc1ccc2c(c1)c1ccccc1o2,0.7823535203933716
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.999991238117218
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,1.0
+CCCCOC(=O)C,9.669373727269961e-14
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,5.700283016628579e-26
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,1.1898434593149432e-07
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,1.0
+ClCc1ccc(cc1)Br,1.614994596388364e-11
+Cc1cccc2c1nn[nH]2,0.9635621309280396
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.42775624990463257
+ON=C,0.5752161145210266
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.9998738169670105
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+Nc1cnc2c(c1)c1ccccc1cc2,0.9999983906745911
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,1.0
+CCCCCCOC(=O)C(=C)C,7.891448521664575e-15
+ClC(=C1OC(=O)C(=C1)Cl)Cl,1.0
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,6.078208140795904e-13
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,1.0
+BrCCCBr,0.9999994039535522
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,1.5845094221060349e-22
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.6296975016593933
+OC(=O)CCCOc1ccc(cc1C)Cl,3.0162883302153887e-09
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.9999738931655884
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,2.155101163294734e-28
+Nc1nc(N)c2c(n1)[nH]cn2,8.891324121407251e-09
+ONC(=O)c1ccccc1O,1.0
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,1.1509416666300409e-26
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.9979602694511414
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,1.0
+CC(COC(=O)C(=C)C)O,1.4409344377408484e-11
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,4.7838426502370543e-32
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],1.0
+CC12CCC(C2(C)C)CC1(C)O,1.2008247857447224e-13
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,6.705459963995963e-05
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9999992251396179
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,3.2991548403783766e-13
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.20522014796733856
+O=C/C(=C/c1ccccc1)/C,5.078349119003178e-08
+CCCCCC(=O)N,1.1103573172022152e-08
+ONc1ccc(cc1)C(=O)C,0.9999606013298035
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9998993873596191
+[S-]C(=S)NC.[Na+],0.000249704607995227
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,3.157126116093423e-07
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9999996423721313
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,1.0
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,1.0
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,1.0
+N#C[Se]Cc1ccccc1,3.569952241377905e-05
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.9999997019767761
+CN(C=O)N,8.056696856328927e-07
+C/C(=N\O)/CC,1.0
+OCCN1CN(CCO)CN(C1)CCO,0.20820295810699463
+CCCCN(CCC(=O)OC)N=O,1.0
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.8858685493469238
+CC1=CC[C@H](CC1)C(O)(C)C,1.2997854181850954e-10
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,7.73225317107773e-10
+Cc1ccc(c(c1)N)C,0.9990679025650024
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,2.006734708959179e-11
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,1.0
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1.0
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,1.0
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,1.0
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.4631134867668152
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.6006656885147095
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,1.0
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.7685487866401672
+CCOc1ccc(cc1)N(C(=O)C)O,0.7284653186798096
+CCOC(=O)OC(=O)OCC,3.3831153210903825e-14
+Cc1cnc2c(n1)cccc2,0.939045250415802
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,3.184401571659025e-16
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,4.145095289231904e-08
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,1.0
+COc1cc(C=C)ccc1O,1.5624895155497143e-08
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],9.103028331125529e-10
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,4.4101144958119676e-10
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.9999998211860657
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,1.8258329536742153e-17
+CC1c2ccccc2-c2c1cccc2,1.0
+O=NN(CC(=O)C)C,1.0
+ClCC(=O)NCc1ccccc1,0.9933252334594727
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,1.0
+Nc1c(C)cccc1O,0.8271191716194153
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.9999995231628418
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.9999992251396179
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.9999943971633911
+ClCCBr,0.9999986886978149
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],5.589404850070423e-08
+Clc1ccc(c(c1)N)N,0.999566376209259
+Fc1cnc2c(c1)c(N)ccc2,0.7191383242607117
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.14126898348331451
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.9999998807907104
+O=C/C=C/c1ccc(cc1)N(C)C,0.8931819200515747
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,1.0
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,2.265516940713752e-10
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,1.0
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.7999935150146484
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.9776765704154968
+[O-][N+](=O)[CH-]CCCC,9.919810198960599e-14
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9999998211860657
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,1.0
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,1.0
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,8.062335521419328e-12
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],4.021071617898997e-07
+O=C1C=C(C)C(=O)c2c1cccc2,0.999656081199646
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,9.479039363213815e-06
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.9999235272407532
+Clc1ccc2c(c1)nc(n2C)N,0.9992361068725586
+CC(CCOS(=O)(=O)C)C,1.0
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,1.0
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,1.0
+O1COCOC1,2.8226738724157485e-09
+[O-][N+](=O)c1ccc2c(c1)csn2,1.0
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.994024395942688
+ClCc1ccncc1,0.19972997903823853
+OC(=O)CCN=N#N,1.0
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.1611798107624054
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,1.0
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.9999994039535522
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,4.793180363909468e-18
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.999996542930603
+C=CCCCC[C@@H]1OC1,0.9999998211860657
+CCc1ccccc1N,0.988664448261261
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.9999997019767761
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,2.9335437074298754e-13
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,4.784950143819546e-26
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,1.1179723742316128e-06
+O=NN(CC(=O)C)CC(=O)C,1.0
+Fc1c(F)c(F)c(c(c1F)Cl)F,4.220254701259307e-10
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,5.732804443003197e-28
+CNC(=O)ON(C(=O)NC)C(=O)C,1.4062941033898824e-07
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,1.0
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,1.0
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,1.0
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.9895811080932617
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,5.879908782091547e-10
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.0038388599641621113
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],1.0
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],1.0262251883648264e-21
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,1.0
+OC(=O)CS.[Na+],4.740222721011378e-05
+OCC(C(=O)O)N,0.6021574139595032
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.9999809265136719
+Oc1ccc(cc1)C(c1ccccc1)(C)C,2.3132463826402994e-12
+ClC=C(C)C,0.37486034631729126
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,1.3138444297664846e-21
+O=NN1CCSCC1,1.0
+Fc1cccnc1,0.00033561704913154244
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,6.039049560361279e-22
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+c1ccc2c(c1)Oc1c(O2)cccc1,0.054790377616882324
+OC(C(=O)O)Cn1cncn1,9.854733431870628e-25
+NCC(=O)Nc1ccccc1,0.9999987483024597
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,1.0
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,1.0
+[O-][N+](=O)C,0.7193228602409363
+C1CC23C(C1)(O3)C=CC=C2,6.60031073493883e-05
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.6943410634994507
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,1.0
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9999998807907104
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,5.748987148124185e-18
+CCCCN(N=O)CCCC,1.0
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.4213533401489258
+[O-][N+](=O)CCl,0.5169270038604736
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,1.0
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,1.0
+N#CSCSC#N,1.638331070807908e-07
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.9999696016311646
+Clc1cc(Cl)cc(c1)Cl,3.4305044209759217e-06
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1.0
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.9999957084655762
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.5616334676742554
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.9987737536430359
+O=NOC(C)(C)C,0.9999993443489075
+C=CC(=C)CCC=C(C)C,5.821064463784609e-11
+NC(=O)[C@H]1CO1,0.9840108156204224
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1.0
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.9220443964004517
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,4.2474970065879323e-16
+OOC1(C)c2ccccc2-c2c1cccc2,0.657068133354187
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,1.3547061560171361e-18
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,9.514178778147198e-09
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,1.1357338951679258e-13
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,5.965609375380154e-07
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,4.491450965726643e-16
+Nc1scc(n1)c1cccnc1,0.9999998807907104
+BrN1C(=O)CCC1=O,4.897420247118589e-09
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,6.1568929155989955e-24
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9999958872795105
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,9.707775513050994e-21
+NC(=NC(=N)N)NCCc1ccccc1,9.642231457718253e-11
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,1.0
+CN(CCN(c1ccccn1)Cc1ccccc1)C,8.268353142781235e-17
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,1.0
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.9957143068313599
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9999998211860657
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,1.0
+CCOc1cc(C=O)ccc1O,4.096418204646568e-10
+CC(=C)C(=O)OCC(C)(C)C,0.3447656035423279
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,1.0
+O=NN(CCN(C)C)C,1.0
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,1.0
+ONc1nc2[nH]c3c(c2cc1C)cccc3,1.0
+C[C@@H](c1ccccc1)CCc1ccccc1,0.9999925494194031
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.6121885180473328
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1.0
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.999996542930603
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.7440106868743896
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,4.560698471439348e-14
+CCCCC(CCCC)(CCC)S,9.209639983964735e-08
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,2.572002095382587e-26
+Clc1cccc2c1c1ccccc1o2,0.9070655703544617
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,1.0
+N1CCNCC1,0.9986273050308228
+O=C(c1ccccc1N)OCCc1ccccc1,0.007298913784325123
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.9864932894706726
+CCOc1ccc(cc1)N,0.9561377763748169
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1.0
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9999998211860657
+Oc1cccc2c1OC(C2O)(C)C,3.431365144738449e-16
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.0017841426888480783
+OCc1cc2c([nH]1)c1ncccc1cc2,0.005116724409162998
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,1.0
+CON(C(=O)Nc1ccc(cc1)Br)C,0.8103243708610535
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,1.0
+CCCCOC(=O)c1cccc2c1nccc2,1.444390797014846e-20
+C(C1OC1)Cc1ccccc1,1.0
+OC(=O)c1ccccc1.[Na+],1.0615520906753773e-08
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],3.084133993588238e-15
+NC(=O)C1CO1,0.9840108156204224
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,2.3796922468882863e-17
+BrCC=C,0.9998093843460083
+OCc1occ(c(=O)c1)O,0.16500817239284515
+Clc1ccc(cc1)C[C@@H]1OC1,1.0
+CCOC(=O)C(=C)C,2.6485422743860454e-09
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,1.0
+Oc1nsc2c1cccc2,0.03911418840289116
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,6.778544305724443e-12
+O=Nc1cc2OCOc2cc1O,0.19995565712451935
+CCOc1nc(NC(=O)N)nc(n1)NC,2.87138974424961e-17
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,1.0
+OC(=O)CC(C(=O)O)N,1.3216127570103708e-07
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9999877214431763
+CCNc1nc(NC(C)C)nc(n1)Cl,5.795447005410883e-25
+ClCCN(P(=O)(O)N)CCCl,1.0
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9255856275558472
+O=C(C(F)(F)F)C(F)(F)F,2.422564815418582e-09
+CCCCN(CC(OCc1ccccc1)CO)N=O,1.0
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,7.243697641712288e-09
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.8427537083625793
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9999889135360718
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,9.432196374041324e-36
+ONc1ccc2c(n1)n1cccc(c1n2)C,1.0
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,5.501894329526009e-33
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.10950521379709244
+CC(=O)Nc1ccc2c(n1)cccc2,0.0017352787544950843
+CCSCSP(=S)(OCC)OCC,3.054441322092316e-08
+OC(=O)Cn1cncn1,7.559457207153698e-18
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,2.0414907339727506e-05
+NC(=O)c1cccnc1,5.693210347601507e-10
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,1.0
+CCOP(=S)(SCSC(C)(C)C)OCC,1.3937220444404375e-07
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,1.0
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,1.0
+Cc1cc(C)c2c(c1N)nsn2,0.9999998807907104
+CCc1cccc2c1nccc2,0.08524595946073532
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,1.7762382640285068e-06
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.0349711999297142
+Nc1ccc(c(c1)N)[N+](=O)[O-],1.0
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],1.0
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.998291015625
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,9.968118342487261e-23
+CCC(C(=O)NC(=O)N)(CC)Br,1.4404517401089834e-07
+CC[C@@H](NCCN[C@@H](CO)CC)CO,1.2347262101641832e-10
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,3.4495971583511833e-15
+ClCc1cnc(nc1Cl)Cl,9.047584899235517e-05
+ClCc1ccc(cc1)OC(=O)C,0.22061435878276825
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,6.336418062322412e-22
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,1.0
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,2.2254667015438505e-23
+CCOCC,0.11800525337457657
+CC(OC(Cl)(C)C)(Cl)C,0.0014695231802761555
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,4.962623806388277e-27
+O=C1C=CC(=O)C(=C1)Cl,8.887907938515127e-07
+CCCCN(C[C@@H](CC)O)N=O,1.0
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,2.577784556992424e-12
+CC(c1ccccc1)Cl,5.268177449835321e-09
+CNC(=O)N(C(=O)C)O,1.4159870498353655e-10
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.49442577362060547
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,1.0
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9999637603759766
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.9892380833625793
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.9999982118606567
+CCCCCCCC(=O)Cl,0.7205602526664734
+O=NN1CCC[C@@H](C1)Cl,1.0
+CC(C(=O)OC)CN=N#N,1.0
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,1.0
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.9969980120658875
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.9161964654922485
+OC1C2OC2c2c(C1O)cccn2,2.0334135417132693e-11
+Fc1cc2cccnc2c2c1cccn2,0.8953582644462585
+CC[N+](=NC)[O-],0.24686650931835175
+OC(=O)/C=C/c1ccccc1,2.4075650362220813e-09
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9999998807907104
+CS(=O)(=O)O,1.8845472595785395e-06
+C([C@@H]1OC1)C[C@@H]1OC1,1.0
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9765826463699341
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,4.4521294739752193e-07
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,2.0157920895235966e-15
+Oc1ncc(cc1N)c1ccncc1,1.988114718187717e-06
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,1.0
+Fc1cnc2c(c1)ccc1c2cccc1,0.0007060900097712874
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,1.0
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.9760833978652954
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.7727254629135132
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1.0
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,4.0809663147468265e-20
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.3996756672859192
+N#Cc1c(Cl)cccc1Cl,4.718690438387796e-10
+CC(Nc1ccccc1)C,0.4626868665218353
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.9999998211860657
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,1.9183037238690304e-06
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.0015654187882319093
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9999985694885254
+FC(C(F)(F)F)C(F)(F)F,5.26347975621233e-12
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.020835410803556442
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.003548820735886693
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,2.983161298322147e-34
+[O-][N+](=O)c1ccccc1Br,0.8158692121505737
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.733129620552063
+CCCCCCCCSCN1C=CN(C1)C,1.3659719189096364e-11
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,1.1509416666300409e-26
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+CNC(=O)O/N=C\C(SC)(C)C,2.3030466422824247e-12
+CN(CCOC(c1ccccc1)c1ccccc1)C,1.269852445417996e-09
+CCSC(=O)N1CCCCCC1,2.394732415839096e-12
+CC(=C)C=O,0.9078304171562195
+Cc1cccc2c1cccn2,0.9999998807907104
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.999727725982666
+O1C2C1c1cscc1-c1c2csc1,1.0
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1.0
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.5980528593063354
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1.0
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,1.0
+OC(=O)Cc1ccc(cc1)Cl,3.7935609498163103e-07
+NCCCCCCCCCCC(=O)O,0.00012759915261995047
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.9999988675117493
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],1.0
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9999971389770508
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,1.0
+Clc1cccc(c1)c1nc2c(o1)cccc2,4.36773134821721e-17
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,1.116066960094031e-05
+Sc1[nH]cnc2-c1ncn2,1.0
+Clc1ccc2c(c1)nc([nH]2)N,0.6322873830795288
+BrCc1ccccc1[N+](=O)[O-],0.010424070060253143
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,1.0
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,1.0
+OC(=O)c1cc(O)c(c(c1)O)O,7.508873522965587e-07
+NCc1ccc(cc1)CN,1.1319622572614207e-08
+CNC(=O)ON=C(SC)C,8.926133721054441e-10
+N#Cc1ccc2c(c1)nc([nH]2)N,0.5872540473937988
+[O-][N+](=O)c1ccccc1N,0.9992192387580872
+O=NN(Cc1ccc(cc1)C)C,0.9986093640327454
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.9999992251396179
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,1.0
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.9999996423721313
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.9999995231628418
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,1.0
+C1CC[C@@H]2[C@@H](C1)CCCC2,3.649283257800562e-07
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,1.599567171967943e-14
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,4.5400594395061944e-10
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,1.0
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.6928866505622864
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,7.96035343431385e-17
+COc1cc(N)c(cc1N)[N+](=O)[O-],1.0
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,1.0
+CC(c1ccccc1)CCN=N#N,1.0
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,1.0
+O1C(C1c1ccccc1)c1ccccc1,0.9995903968811035
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,2.08923333757991e-20
+BrCc1ccc(cc1)[N+](=O)[O-],0.31282076239585876
+COC(=O)c1ccc(cc1)CN(N=O)C,0.19650305807590485
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.9531922340393066
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,1.808898218930502e-13
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,3.0291518144325404e-15
+O=NN(COC(=O)C)C,1.0
+ONc1ccc(cc1)N=O,1.0
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.9999980926513672
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,6.623716332365692e-13
+O=C(OC(C)(C)C)CN=N#N,1.3947459853724808e-09
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,3.7281550069323544e-10
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,1.0
+C1CC2CCc3c(C42C(C1)O4)cccc3,9.354150787288518e-10
+O=Cc1ccc(cc1Cl)Cl,2.9218452337513925e-14
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9999984502792358
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,1.0
+N#CC1=C(SCCS1)C#N,7.221897249110043e-05
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,2.20190541423438e-22
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,3.242821358550923e-20
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,2.557970280037125e-09
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,5.147304804609121e-09
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,5.505323974475118e-10
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,1.0
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.9991065263748169
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.9999997019767761
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1.0
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,4.793180363909468e-18
+Clc1ccc(cc1)C(Cl)(Cl)Cl,1.0
+CNc1ccc2c(c1C)nc(c(n2)C)C,1.0
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,1.0
+CN(N=O)C[C@@H](CO)O,1.0
+OC(=S)c1ccccc1,2.2567039195564575e-05
+NC(=S)NNC(=S)N,6.587355017018126e-08
+O=C/C=C/c1ccco1,1.1659669674202178e-08
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.9999986886978149
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,1.5363479048559282e-25
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,3.624771238719404e-07
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,6.253863631111838e-15
+Oc1ccc(cc1)Cl,4.111631824343931e-06
+O=C1NCCN1c1nccs1,1.0
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,1.1499658435975528e-17
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.00038452917942777276
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9999873042106628
+CCCCCCCC[C@H]1CO1,1.1075076145061757e-07
+ONc1ccc(cc1)Oc1ccccc1,0.9999931454658508
+BrC(Br)Br,0.0017973624635487795
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,9.096812712827695e-12
+C1CCOCO1,9.342672058210155e-08
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,9.234870958607644e-06
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7952609658241272
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9999990463256836
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.8703519105911255
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9984983205795288
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,1.0
+OC(=O)C(CCl)Cl,2.2318291312273253e-11
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,1.0
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.1583869308233261
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,1.0
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,7.914136468563371e-13
+O=Cc1cccc(c1Cl)Cl,2.046227296219512e-14
+OC=O,0.00024101079907268286
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3[N@]4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.0
+N#Cc1ccc(cc1)C1(C)OC1,0.9999997019767761
+COc1ccc(cc1)CC[C@@H]1OC1,1.0
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.9999986886978149
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.9999914169311523
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,1.0
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,1.0
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,7.406105392061274e-20
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,4.869696645926069e-09
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.005406318232417107
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,2.4974191551591085e-12
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,1.0
+CCN(c1ccccc1)CC,0.3069603145122528
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,1.2018047343058985e-20
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.02359153889119625
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.9648105502128601
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,1.0
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],1.2610586542633982e-20
+Nc1ccccc1O,0.9998821020126343
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.8097373247146606
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],1.2317386222093774e-08
+CC[C@H](OS(=O)(=O)C)C,1.0
+NC(=O)N(c1ccccc1)c1ccccc1,0.7969872355461121
+Nc1cccc(c1C)N.Cl.Cl,1.0
+ONc1ccc(cc1C)C,0.9999998807907104
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.403533399105072
+C=CC(=O)OCC(C)(C)C,0.0050271060317754745
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,5.311142151076531e-13
+Br[C@@H](C=O)CBr,1.0
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.3183756470680237
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,1.0
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,4.981511970935108e-22
+CNC(=O)O/N=C/C(SC)(C)C,2.3030466422824247e-12
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,1.2039315878722634e-23
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,6.685190783173312e-07
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,1.0
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,2.527118158468511e-05
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9999915957450867
+ClCCCN(COC(=O)C)N=O,1.0
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,1.0
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.9999686479568481
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,2.2664099930125303e-08
+ClCCC(=O)N(c1snc2c1cccc2)C,2.1790704352042667e-08
+BrCCOC(=O)CC(C(=O)OCCBr)O,1.0
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.999808669090271
+Nc1ccc(cc1)N=Nc1ccccc1,0.9999996423721313
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,2.091867718406531e-15
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,4.595586974700404e-19
+CCC1(C)CO1,0.000122679746709764
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,3.993347531479574e-19
+CCCCN(/C(=N/O)/C=O)N=O,1.0
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,6.0741373712580606e-18
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,1.0
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.5715364217758179
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.00048498070100322366
+NCCN1CCNCC1,0.30106648802757263
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,8.214020826360913e-13
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,1.947192210973271e-28
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,1.0
+COc1nc2c(CBr)cccc2nc1OC,1.0
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],1.4994144521551789e-06
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+CS(=O)(=O)OCCCCOS(=O)(=O)C,1.0
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,1.4242131328501273e-05
+C[C@H](COC(C)(C)C)O,1.0182982235207305e-10
+CCOCC(=O)O,1.5025841441446358e-15
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,1.0
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.8633403778076172
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,3.956722061104756e-09
+CCC(=O)N(c1ccc2c(c1)cccc2)O,1.0
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.9999998211860657
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,9.424023266229007e-26
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,1.0
+Oc1c(O)cccc1O,2.2129843273432925e-05
+CCCc1ccc2c(c1)OCO2,9.485075480597516e-08
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.0
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,1.0
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9351472854614258
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,1.2008247857447224e-13
+c1ccc(cc1)Nc1ccccc1,0.9738596677780151
+OC(=O)C1CC1,1.338336108602789e-08
+CC(COC(=O)C(=C)C)C,7.513069159859054e-12
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,1.0
+CC(CC(=O)Nc1snc2c1cccc2)C,5.908219660039071e-12
+OCc1ccccc1[N+](=O)[O-],0.00023571662313770503
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,2.4069637949430955e-10
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,5.6423401431379255e-28
+O=C=S,0.00021040134015493095
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,7.732369804939587e-15
+COc1c(Cl)ccc(c1C(=O)O)Cl,5.896819921247243e-09
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,6.069136650864871e-18
+CNC(=O)c1ccccc1,6.5654952585703086e-09
+CC(C(CBr)Br)Cl,1.0
+N#CCNC(=O)c1cnccc1C(F)(F)F,3.4691006577797223e-12
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,2.2254667015438505e-23
+[O-][N+](=O)c1ccc2c(c1)NCC2,1.0
+Nc1ccc(cc1)c1ccccc1,0.4884602427482605
+CN(CCN(c1ccccc1)Cc1ccccc1)C,3.276317875133827e-05
+COc1cc(OC)c(cc1C1OC1C)OC,0.8013501167297363
+COP(=O)OC,0.002032096963375807
+Nc1cnn(c(=O)c1Cl)c1ccccc1,1.0260988971477411e-13
+OC(COc1cccc2c1C=CC2)CNC(C)C,1.8158005210110878e-13
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.9999998807907104
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.007149870041757822
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,1.0
+OC(=O)CS,0.0001535835472168401
+[C-]#N,0.0010393436532467604
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,1.0
+c1cccs1,3.859674393424939e-07
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,3.4302990171085825e-21
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,1.0836696674232371e-05
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,1.0
+C/C=C/C,6.230324345324334e-08
+CCCCOC(=O)C=C,2.7360016580085743e-21
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.788535475730896
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,1.0
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1.0
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,1.4212677259053952e-12
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,1.0
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,1.0
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,6.471073636671738e-18
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,2.3314380247900307e-19
+Nc1ccc2c(c1)nc1c(c2N)cccc1,1.0
+CC(Cc1ccccc1)N,0.000204672192921862
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1.0
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,2.2565676807828473e-25
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,1.525597819818658e-21
+C=CCc1ccc(c(c1)O)O,2.176458565372741e-06
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],1.0
+Cc1cc2n(C)c(nc2c2c1nccn2)N,1.0
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.5495418906211853
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,5.723969564996878e-08
+c1cccnc1,0.19665224850177765
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,9.652388143877033e-06
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],5.845955115546531e-07
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.9613585472106934
+Clc1ccc(cc1)c1nc2c(o1)cccc2,4.632839673972189e-18
+[O-][N+](=O)CCC,1.1339989214320667e-05
+OC(=O)[C@@H]1CSCN1,4.943899057252565e-06
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,4.469931269568406e-08
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,1.0
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,1.0
+C1COCCS1,0.16348782181739807
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,1.0
+Oc1ccc2c(c1)OCO2,3.899258081219159e-05
+O=c1ccc(c[nH]1)C(F)(F)F,0.9990749359130859
+CCOC(=O)C[n+]1csc2c1cccc2,3.0943241133458976e-13
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.9999996423721313
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.9957386255264282
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,1.6881835029800064e-18
+CCc1cccc(c1N)C,0.6328433156013489
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9998105764389038
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.8230949640274048
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,6.322595225149996e-10
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.20845302939414978
+C[C@H]([C@@H](CBr)Br)Cl,1.0
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,1.0
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.9999498128890991
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,5.904088538954966e-05
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,5.007622788655297e-11
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.19964483380317688
+OO[C@@H]1CCCc2c1cccc2,1.0
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,4.002254424907437e-21
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.6121885180473328
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,3.0909261816702838e-09
+O=CN(c1ccccc1)O,0.9435780644416809
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.0005235503194853663
+O=C(Nc1ccccc1)CC(=O)C,2.7100207589613422e-14
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.9999982118606567
+CCOS(=O)(=O)OCC,1.0
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,1.0
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.0002480685361661017
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,1.0
+CO[C@@H]1OC1(C)C,0.9999995231628418
+[O-][N+](=O)[C@@H](CC)Cl,0.0008225130732171237
+O=NC([N+](=O)[O-])(C)C,0.432870477437973
+Clc1ccc(cc1)Cl,1.2858132549808943e-06
+N#CCC[C@H](C#N)C,1.0500031066840165e-08
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,5.3246469733370105e-11
+N#Cc1cc(c2ccncc2)c(nc1O)C,2.2491433715465803e-10
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1.0
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,6.984003609191322e-28
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,1.0
+O=C([C@@H]1OC1)NCc1ccccc1,1.0
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,9.522040274323462e-12
+CCC(=O)O.[Na+],1.0528138083554239e-10
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,1.3091562323097605e-07
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.09097091853618622
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9999710321426392
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8526328802108765
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,3.3571315866121054e-11
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,1.0
+Nc1cnc2c(c1)cccc2,0.42623239755630493
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,1.0
+CC(NCC(c1ccc2c(c1)cccc2)O)C,3.5919253682514807e-12
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,4.6903901447051065e-19
+COc1ccc2c(c1)nc(n2C)N,0.26738619804382324
+O1C=CC2C(C=C1)O2,0.7904402613639832
+Nc1sc2c(n1)c(C)ccc2,0.19817666709423065
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,1.5845094221060349e-22
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.9978682398796082
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,2.5661011510136333e-11
+O=Cc1ccc(cc1)N,0.5905632972717285
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,1.0
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9999998807907104
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9999996423721313
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,1.0
+O1Cc2c(C1)cccc2,8.07273714542589e-09
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,1.0
+C[Si](N[Si](C)(C)C)(C)C,0.0003176388272549957
+CC1c2ccccc2-c2c1cc(C)c(c2)C,1.0
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,1.0
+O=C(c1ccccc1)OOC(C)(C)C,1.3340546573106576e-15
+CS(=O)C,1.4241761618905002e-06
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,1.9183037238690304e-06
+CC(=O)c1ccccc1,3.76935069823503e-08
+O=C1OC2=CCO[C@H](C2=C1)O,2.9938831858089543e-07
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+N#CCC#N,4.7529323637718335e-05
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,2.0274695550909216e-12
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.35935917496681213
+CCCCCC/C=C\CCCCCCOC(=O)C,6.235306325083623e-13
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,1.1925452625405342e-08
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,1.7102482624542503e-11
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.3359132409095764
+Nc1ccccc1.Cl,0.9512487649917603
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,6.766322526850637e-26
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.9999866485595703
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.9153493046760559
+FC[C@H]1CO1,1.0
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.9999998807907104
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,1.8928267286888456e-10
+NC1CCCC(C1)N,3.9104822353343283e-13
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,1.7709324801107033e-17
+COC(=O)c1ccccc1O,2.1024160190563634e-09
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],1.0
+CC(c1ccc(cc1)NC(=O)N)C,5.020795583732252e-07
+O=C1COC(=C1O)C,0.999962329864502
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,1.0
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,1.0
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,2.804474207590969e-15
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,1.0
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.7305551767349243
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.9793604016304016
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.08287863433361053
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,4.225432843273716e-21
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,1.0
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.3401799499988556
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9999967813491821
+CCNc1nc(NC(C)C)nc(n1)O,5.957469082137326e-27
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,7.0901310118739025e-34
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,1.0
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],1.5341943710750042e-19
+Cc1cc2c(NC(=O)CCl)snc2cc1,1.0
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,1.0
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.9999997019767761
+O/N=C/C1N(CCN(C)C)C=CN1C,1.2875725910926387e-18
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.036600254476070404
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,1.897337369410456e-14
+CCN(c1ccccc1)N=O,1.0
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.9999990463256836
+CCCCN(CCCC)CCO,1.3717884606023745e-09
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,1.0
+CC(=O)/C=C\c1ccc2c(c1)OCO2,3.330722393002361e-06
+CCOC(=O)C1C(C1(C)C)C=C(C)C,1.95534653357754e-06
+c1coc(c1)c1nc2c([nH]1)cccc2,0.6328344941139221
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,2.9176371754147112e-06
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,5.736158527192619e-23
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,1.0
+[O-][N+](=O)/C=C/c1ccco1,0.20162513852119446
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.9999855756759644
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.5996026992797852
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1.0
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,1.0
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,1.0
+O=C(C1(C)OC1)Nc1ccccc1,1.0
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9995964169502258
+Fc1ccc(c(c1)F)N,1.0
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.9999994039535522
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9999972581863403
+CCCCOCC=O,6.892313422213192e-07
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,8.080381121544633e-06
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,4.0070547931089784e-17
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,1.0
+N#CC1=Cc2c3c1cccc3ccc2,0.9999983906745911
+OC(=O)c1cc(O)c2c(n1)cccc2,8.873374781614984e-07
+Cc1cccc(c1O)C,4.1833984141703695e-05
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],1.0
+OC(=O)CC[C@@H](C(=O)O)N,7.6163132689544e-06
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,1.47519951809727e-09
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],1.0
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],1.0
+COCC12OOC2(C)c2c(O1)cccc2,0.1999409794807434
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,4.984015866682512e-09
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.7955191731452942
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9999802708625793
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.04097224026918411
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+OC(=O)c1cccc2c1OC(O2)(F)F,6.21054180305336e-11
+CC1=CCC(CC1)C(O)(C)C,2.397413378929514e-10
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,1.3185174049042299e-14
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.9937040209770203
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,7.938567674967523e-27
+C[C@]1(OC1)c1ccccc1,0.9999998807907104
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,7.26284270058386e-05
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.9835026860237122
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.99993497133255
+CC[C@H]([C@@H](CO)C)C,7.961680239532143e-05
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,2.802820475711343e-11
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9999996423721313
+OCCBr,1.0
+OCNC(=O)C=C,0.19669018685817719
+Oc1nc(O)nc(c1)C(=O)O,1.705364128178847e-14
+C/C(=C\C)/C#N,4.101786965637899e-10
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,3.4363053309956204e-13
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,5.040607931050545e-09
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,3.512243041732795e-24
+OCc1c(CO)cnc(c1O)C.Cl,2.146910883934431e-14
+C=C1CCC2CC1C2(C)C,6.152659761879398e-13
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.9999914169311523
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,1.0
+C[n+]1cccc(c1)OC(=O)N(C)C,4.899429750793161e-10
+C[C@H]1CN1,0.1741158813238144
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+c1ccc2c(c1)nccc2,0.9965260624885559
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,4.0495363139159135e-12
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.21140678226947784
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,1.0
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.9998798370361328
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,7.95539524013622e-13
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,4.675659859287862e-10
+ONC(=O)c1ccc(c(c1)O)O,0.9999980926513672
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,3.1101142212719424e-06
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,1.0
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,1.0234411096377016e-09
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.4785059094429016
+OC[C@@H](CCl)Cl,1.0
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.9997662305831909
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.9999998807907104
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.9139263033866882
+N#CC(C(C#N)(C)C)(C)C,0.00015939530567266047
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.6205885410308838
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,1.0
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.9997962713241577
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.7907730340957642
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.9999991655349731
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.7915439605712891
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9999996423721313
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],1.0
+ClCCN(CCCl)CCCl,1.0
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,4.27567052943556e-14
+Fc1cc2cccnc2c2c1cccc2,1.0
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,7.99107802151866e-09
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.9926778078079224
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.9998890161514282
+COc1nsc2c1cc(cc2)[N+](=O)[O-],1.0
+COc1cc(CNC(=O)C(Br)C)ccc1OC,1.0
+c1ccc2c(c1)c1ccccc1cc2,0.6687754392623901
+CCCCCCCCC=O,8.583909902881715e-07
+CCOC(=O)C(=O)C,2.741141724982299e-05
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,3.4038827901878687e-15
+CCCCCON=O,0.9912469983100891
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,2.1289030538440556e-09
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],1.0
+CCCCN(CCC(=O)O)N=O,1.0
+CCO,4.5363827666733414e-05
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,2.4364719138247892e-05
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.5184231996536255
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,3.075432269961098e-12
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.0006011196528561413
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,6.023311470926274e-06
+[O-][N+](=O)NC,0.11572031676769257
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],1.831788765116471e-08
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1.0
+CC(O)(C)C,0.11097637563943863
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,5.614713555202044e-12
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,1.0437759326558521e-13
+CC(C(=O)N)Br,0.9999997019767761
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.9999912977218628
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.9999960064888
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,1.2919966485558376e-10
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,2.9824921151484426e-14
+O=NN(C(C(=O)C)OC(=O)C)C,1.0
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,1.0
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,1.4462027089117216e-14
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,5.429561689140883e-09
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9995932579040527
+Nc1ccc2c(c1)c1ccccc1n2C,1.0
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.9999998211860657
+OCC(C(c1ccccc1)N=N#N)O,0.588981568813324
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.7214399576187134
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,1.0
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.00020802323706448078
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.22390203177928925
+COS(=O)(=O)C,1.0
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,1.0
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],3.2549707558188895e-14
+NC(=O)Cc1cccc2c1cccc2,0.9999985694885254
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,2.0244378902134486e-05
+c1ccc(cc1)Nc1cccc2c1cccc2,0.5337456464767456
+[O-][N+](=O)c1cccc2c1nsc2,0.9999992251396179
+O[C@@H]1OC(=O)C=C1CCl,1.0
+Nc1[nH]nc(n1)N,0.0056297434493899345
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.9999982714653015
+OCc1cc2ccccc2c2c1c1ccccc1cc2,9.537290679872967e-06
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9842197299003601
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,1.0
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,1.0
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,1.0
+OC(=O)C[C@H](C(=O)O)O,6.167141464175074e-07
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.999982476234436
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,1.133224238189165e-13
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.9999984502792358
+O=NN(c1ccccc1)COC(=O)C,0.9999998211860657
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,2.4364719138247892e-05
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.5836901664733887
+O=C1C=CC(=O)C=C1,0.00043312093475833535
+O1C[C@@H]1Cc1ccccc1,1.0
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,1.3616218447648255e-20
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,4.7049061304796464e-18
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,1.0
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],1.0
+Nc1ccc2c(c1)cns2,1.0
+C1CCCCNC1,0.00014410432777367532
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.9999996423721313
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,1.0
+CCCCC/C(=C\c1ccccc1)/C=O,2.1827149510045274e-07
+C[C@H]1CS1,7.087036291153481e-09
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,5.799113664587633e-16
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.9999974966049194
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,6.334338498758505e-23
+[O-][N+](=O)c1ccccc1C(=O)C,0.8771156072616577
+S=C(NC1CCCCC1)NC1CCCCC1,6.547641532961279e-05
+O=C/C(=C/c1ccccc1)/Br,0.99981290102005
+CC(CNc1snc2c1cccc2)C,2.5217522292564354e-08
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,4.1633555269982025e-08
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.9979130029678345
+OC(=O)CC(C(=O)O)O,6.167141464175074e-07
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,1.0
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],1.0
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,3.0419918416839214e-21
+OCC(=O)Nc1c(CC)cccc1CC,2.0356894481210475e-07
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.9999998807907104
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.9998871684074402
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1.0
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1.0
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,6.691352472110168e-10
+Nc1nc2c(s1)cccc2,0.6298223733901978
+NC(=N)S(=O)O,0.0008320895722135901
+O=NN1CCCC[C@H]1C,1.0
+O=CCC(CCC=C(C)C)C,6.7160157435353085e-09
+OC(=O)c1cccc(c1)C(=O)O,9.140618203673512e-06
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.9999949336051941
+Nc1ccccc1N,0.7965074181556702
+OCC(CBr)(Br)C,4.002519290224882e-06
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,1.0
+CCCCOP(=O)(Oc1ccccc1)OCCCC,1.4088334665540714e-11
+OC(=O)c1ccc(c(c1)N)C,0.15033003687858582
+Nc1ccccc1c1ccccc1,0.999947190284729
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,1.4522622808434367e-21
+CCc1cccc(c1N)CC,0.004701083060353994
+COc1cc2nc3cc(N)ccc3nc2cc1N,1.0
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.999620795249939
+C/C=C/c1ccc2c(c1)OCO2,0.02975146844983101
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,1.0
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.9999823570251465
+Nc1cn[nH]c(=O)c1Cl,0.0014335318701341748
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.9999991655349731
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,1.0
+Nc1cccc(c1)[N+](=O)[O-],1.0
+O=C1OC(=O)c2c1cccc2,1.4794565686315764e-05
+ClCC(=O)c1ccccc1,0.9999130964279175
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.9999980926513672
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.9998239278793335
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9999974966049194
+ClC(Br)Br,0.0007397437002509832
+Fc1ccc(c2c1ccc1c2cccn1)F,1.0
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,1.2599416550074238e-05
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,1.976316332807926e-11
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,2.9189057421108444e-11
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,1.0
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,6.339092161951592e-20
+CC(=O)c1ccccn1,0.9999998211860657
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,1.6532403890323621e-07
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9999969601631165
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7729028463363647
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1.0
+BrC(C(Br)Br)Br,9.48268425418064e-05
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.9968738555908203
+CC(OC(=O)C(=C)C)C,3.888961146003567e-05
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,2.0506522560026497e-06
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,1.0
+O=CC1C=COC=C1,0.7167708277702332
+COc1nncc2c1cccc2,1.215258449427381e-10
+C1=C[C@@H]2[C@H](C=C1)O2,3.96740240660165e-08
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,8.434848414347329e-13
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,4.885792037612191e-08
+Nc1ccc(cc1)/N=N/c1ccccc1,0.9999986886978149
+Nc1nc(nc(n1)Cl)NC(C)(C)C,3.176991886255122e-15
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,1.0
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,9.407153811480384e-08
+O=C/C=C\c1ccccc1OC,0.8114689588546753
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,2.2433271620127303e-15
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+O=C(C1OC1)Nc1ccccc1,1.0
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.43424686789512634
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,5.353868254764568e-15
+Cc1ccc(c(c1O)C)C,1.7012545868055895e-05
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7235642671585083
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.9959927797317505
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,1.0
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,1.0
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,5.91101434466168e-09
+ONc1ccccc1,0.998519241809845
+CCCN(CCCCO)N=O,1.0
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,1.0
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,1.5413206710945815e-07
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,1.0
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9999948740005493
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.1137746125459671
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9999665021896362
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+CNC[C@H](c1cccc(c1)O)O,1.1069484799543661e-14
+Oc1cccc2c1cccn2,0.982425332069397
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.9996277093887329
+Cc1cc(C)cc(c1)C,0.0010005015647038817
+[O-][N+](=O)c1cncn1C,0.998265266418457
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.45402926206588745
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,1.0
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.9999000430107117
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.9999966621398926
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],1.0
+c1ccc2c(c1)oc1c2cccc1,0.9942045211791992
+BrC(C=O)CBr,1.0
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.9993793368339539
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,9.238706688563525e-09
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8388546109199524
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,4.445886588655412e-06
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.6068142652511597
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.9984278678894043
+Nc1ccc2c(c1)cccn2,1.0
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,1.0
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,1.1116913813113971e-11
+O=C=Nc1cccc2c1cccc2N=C=O,1.0
+CCOc1ccccc1[N+](=O)[O-],0.39035502076148987
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,1.0
+Cc1cc2ccccc2c2c1c1ccccc1cc2,1.0
+NNc1nnc(c2c1cccc2)NN,0.9999997019767761
+CCCC(=O)OCCC(C)C,1.8230822938520436e-13
+ClCc1ccc(cc1)OC,0.20508427917957306
+O=c1ccoc(c1O)C,0.35325443744659424
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1.0
+O=NN(CC(=O)O)CC(=O)O,0.9993429183959961
+Oc1nc(Cl)nc(n1)Cl,6.210711944731884e-09
+ClCC(=O)Nc1snc2c1cccc2,1.0
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.9090002179145813
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,2.3977827368071303e-05
+O=C1c2ccccc2C(=O)C1(O)O,0.000842846289742738
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.3923758566379547
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.9997240304946899
+ClCCC(CBr)Br,1.0
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,1.0
+O=NN(C(=O)N)C,0.9999996423721313
+ClCCN(C(=O)NCC(=O)N)N=O,1.0
+CC(=O)Nc1ccc(cc1)O,0.4035423696041107
+Cc1ccc(c(c1)N)N,0.9574112892150879
+OCCN(N=O)CC,1.0
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9979909062385559
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.9999994039535522
+[O-][n+]1ncc2c(c1)nccc2,2.5648714085946267e-07
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,8.739795885400379e-25
+Cc1ccc2c(c1C)c1ccccc1cc2,0.9902440309524536
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5280697345733643
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,2.6764795620692894e-05
+N/N=c/1\sc2c(n1C)cccc2,1.0
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,2.8395444218176635e-08
+Fc1cnc2c(c1)c1ncccc1cc2,0.3615376353263855
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.00011858441575895995
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9999998807907104
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.0058295587077736855
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,1.0
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,1.0
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.4459075927734375
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.1996483951807022
+CC(=O)OCN([N+](=O)[O-])C,1.0
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,1.0
+CC#N,0.00025832667597569525
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,2.6731044044936425e-08
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9999998211860657
+CCCN(C(=O)SCC)CCC,3.670643216463487e-12
+OC(=O)CBr,0.00043498032027855515
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.9999979734420776
+CC(CC(=O)CC(C)C)C,2.0502480424511305e-07
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,1.0
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,1.4237996892596527e-10
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.5857700109481812
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,1.0
+O=Nc1ccc(cc1)Oc1ccccc1,1.0
+CC(=S)N,0.0005844777333550155
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,4.9045061209142705e-21
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,2.2049998492461205e-19
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,1.0
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,1.0
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,1.0
+CC([N+](=O)[O-])(Cl)C,0.38453757762908936
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,1.0
+N#Cc1cc(Br)c(c(c1)Br)O,1.947318306605439e-09
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9999977350234985
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,5.694039227480737e-16
+CC(=C)C1CCC2(C(C1)O2)C,1.1580778558339944e-09
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,5.123323640332522e-13
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,1.0
+CC(=O)Nc1cccc(c1C(=O)O)N,0.07520794123411179
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.7687133550643921
+Nc1ccc2c(c1)nccc2,1.0
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,3.8714983401479195e-15
+Clc1nncc2c1cccn2,5.999104685239232e-11
+NC(C(=O)O)Cc1ccccc1,1.7346117147098994e-06
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.9899955987930298
+CC(=O)CC(=O)C,5.0320581035379064e-11
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,7.106714522420177e-12
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,1.0
+CCOC(=O)N(C)C,6.49744606562308e-06
+OC(=O)c1cccc(c1Cl)Cl,5.692079252384019e-09
+Nc1cc2nc3ccccc3nc2cc1O,0.9999836087226868
+O=Nc1ccccc1c1ccccc1,1.0
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,1.0
+CCC(=O)C(=O)C,1.0
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.46530500054359436
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,9.571378791536217e-14
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,2.6208951675599224e-10
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,5.046660138396941e-12
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.16017362475395203
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,1.0
+OCN=N,0.08953168243169785
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.9999996423721313
+Nc1cccc2c1cccc2N,0.9999986886978149
+CCOC(=O)[C@H](Br)C,1.0
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.8592808842658997
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],1.0
+CNc1ccc2c(c1C)nc(cn2)C,1.0
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.84186190366745
+CCCCC=O,0.0001507702108938247
+OCC(CBr)(CBr)CO,0.9294512867927551
+OCCNc1ccc(cc1[N+](=O)[O-])N,1.0
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,1.0
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,2.4479524310394574e-12
+O=C1NS(=O)(=O)c2c1scc2,9.57941408488705e-13
+OC(CN=N#N)CN=N#N,1.0
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.6961422562599182
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9999996423721313
+CC(OP(=O)(F)C)C,2.2993593140618884e-11
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,1.7172460014310692e-13
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.15357108414173126
+c1ccc2c(n1)C1OC1C1C2O1,2.2948631883679127e-10
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,4.496047648282476e-24
+Clc1ccc(cc1)S(=O)(=O)C,1.8775865306963624e-09
+C=CC(=O)OCCCCCC(C)C,1.023474881234332e-11
+OCCOCCOCCO,1.5903988526133617e-07
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.9986518621444702
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+CCCC(=O)Cl,0.9999998807907104
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,1.514107242361895e-11
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,2.760399686607684e-10
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.4952530860900879
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.0004502544179558754
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,1.0
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.9998588562011719
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,1.0547288184170611e-05
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.16280679404735565
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,1.0
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9999974966049194
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.38316428661346436
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,4.6056230660826425e-15
+Cc1cccc(c1)C,9.226905604009517e-06
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1.0
+CCCCOCCCC,0.00027900421991944313
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,3.6311856299597878e-12
+Nc1ccc(cc1Cl)C(F)(F)F,0.57789546251297
+CN1CCC[C@@H]1c1cccnc1,9.555450874998428e-11
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,2.744442006985537e-08
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,6.937524357510637e-16
+OCc1ccco1,0.93132483959198
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,8.243734555435367e-06
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.9997771382331848
+CCCCOB(OCCCC)OCCCC,1.1965259545831941e-05
+CC[C@H]1CO1,1.0
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.3185899257659912
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.999017596244812
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,1.0
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,1.1290431922716948e-09
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,1.0
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.9996980428695679
+O=C=Nc1ccc(cc1)N=C=O,0.9999994039535522
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.9999984502792358
+C[C@H](CCC(=O)c1cocc1)O,1.2362092093098909e-05
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,1.0
+CCCC[C@H](CN)CC,5.5566545142937684e-08
+[O-][N+](=O)c1ccccc1[O-].[Na+],1.1371733990017674e-06
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,1.0
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.7640073895454407
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1.0
+Cc1cc(nc(n1)N)C1CC1,1.1289353896160037e-09
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.9999998807907104
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],1.0
+Nc1cc(Cl)cc(c1)Cl,2.262315774714807e-06
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9994052648544312
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,1.0
+CC(C[C@@H]1NC(=O)CNC1=O)C,4.2203016255293324e-12
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,1.2521683811881747e-24
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],1.8219025150756352e-06
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,6.533461549551589e-10
+C=CCOC(=O)c1ccccc1N,4.0839250203816846e-08
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9999993443489075
+CC1CCCC1,0.00016549963038414717
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.9997062683105469
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.0016836763825267553
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,1.2620365703549553e-14
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.9997092485427856
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,1.0
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9999993443489075
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,8.020576153374651e-17
+c1ccc(cc1)c1ccccc1,0.0037430026568472385
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+O=C1C=CC(=O)c2c1c(O)ccc2,0.9999997019767761
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.2534775137901306
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,1.0
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,2.1511672651519653e-11
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,1.0
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.9999998807907104
+CNc1ccc(cc1)[N+](=O)[O-],0.9405196309089661
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,4.457484415146154e-17
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.9685764312744141
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,1.5022312278671623e-13
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.9703866839408875
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9999583959579468
+COc1nsc2c1ccc(c2)[N+](=O)[O-],1.0
+CN(N=Nc1ccc(cc1)Br)C,1.0
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,1.0
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,6.408012787062489e-09
+COc1cc(ccc1OC)CC1CO1,1.0
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,1.1165979004653108e-15
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,1.0
+N#CC(/N=N/C(C#N)(C)C)(C)C,2.258121883924602e-10
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.9998847842216492
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,1.0
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,1.7427747888382552e-16
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.010614707134664059
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.001753494725562632
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,2.2097803764609125e-07
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.6373872756958008
+COCCCN,0.6467301249504089
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,2.924755229671838e-11
+c1ccc2c(c1)Sc1c(N2)cccc1,0.9976491928100586
+CC(=CCC1CCCC1=O)C,1.5852741341859655e-09
+CCCC(=O)Nc1snc2c1cc(C)cc2,6.061709996174613e-07
+NC(=O)NCC(=O)O,0.972760021686554
+O=C1CC[C@H](N1C)c1cccnc1,4.434599822772389e-12
+CC(=O)O,3.078347958762606e-07
+FC(OC(C(F)(F)F)Cl)F,8.410648888457217e-08
+CC=C,0.00020461429085116833
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,1.0
+ClCCN(C(=O)NC1CCCCC1)N=O,1.0
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,1.0971220459898845e-11
+CC(C(C)(C)C)OP(=O)(Cl)C,9.710759757072807e-14
+BrCc1c2ccccc2c(c2c1cccc2)C,1.0
+BrC(C1=C(Br)C(=O)OC1)Br,1.0
+CCCCCCCCCCCCCCCCCCO,2.9960398251205334e-07
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.9999998211860657
+CN(/N=N/c1ccc(cc1)Cl)C,1.0
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.02616865001618862
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7618387341499329
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,6.549753834406147e-06
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1.0
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,6.911069067427889e-05
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1.498059418736375e-06
+N#CC(c1cccc(c1)Oc1ccccc1)O,1.0381992154862019e-07
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,4.105939199749997e-10
+O=C1NCC(=O)N1,0.9800580143928528
+CCCC[C@@H](C(=O)O)CC,9.954794677469181e-08
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.9999939203262329
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.9960432052612305
+c1ccc2c(c1)cc1c3c2cccc3C=C1,1.0
+Cn1cnc2c1ccc1c2cccn1,0.006273278500884771
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,2.617941399687268e-13
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.8041439056396484
+NCc1cccc(c1)CN,9.398402056604027e-09
+CCCCCCCCCCCCc1ccccc1,8.118057337469509e-10
+C=CCc1ccc(cc1)O,0.0002587607013992965
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,1.211580532081702e-12
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,9.303575097874273e-06
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.6459434628486633
+O=c1[nH][nH]c2c1cccc2,7.484089292120188e-05
+C/C=C/C1OC(=O)C=CC1O,0.40023717284202576
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.8658121228218079
+Brc1cccc(c1)[N+](=O)[O-],0.9162713885307312
+Clc1ccc(c(c1)Cl)O,9.09593200759673e-09
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.8295071721076965
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.9999998807907104
+CNCC(c1ccc(c(c1)O)O)O,7.401595447653619e-10
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,3.5473925880102897e-11
+CC1CCC2CC1C2(C)C,0.3164200782775879
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,6.808476427977439e-06
+Fc1ccccc1,9.247453999705613e-05
+COc1ccc(cc1)CN(N=O)C,0.999991238117218
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.4547096788883209
+C=CC(=O)NCCCN(C)C,0.035920895636081696
+Clc1ccc(cc1)CNC1CCCC1,6.572724135789354e-13
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.9999990463256836
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.40806883573532104
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,7.067490628287487e-07
+CCCCCCCCCCCC(=O)C,1.9615982015802613e-14
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9999994039535522
+OCCOCC,1.5115799669729313e-06
+Brc1cc(Br)c(c(c1)Br)O,3.677240803523496e-11
+Cc1nnc(c(=O)n1N)c1ccccc1,1.0
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,1.0
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.9931281805038452
+CC(C#N)O,0.00010852969717234373
+OCc1ccnc2c1cccc2,0.12485042959451675
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,2.483998284841249e-10
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,2.5217046228931395e-09
+CC1=CC(C)(C)Nc2c1cccc2,3.537869730507737e-08
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,7.3693602828666e-15
+c1ccc2c(c1)snc2,0.9974875450134277
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,5.966220559586698e-16
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,8.759964487126126e-08
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,1.6427238278632e-18
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,2.7932307133937684e-08
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.9999725222587585
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,4.44463469585831e-22
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.9999949336051941
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.00016721137217245996
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.9999887347221375
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.01885274425148964
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.9999998807907104
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1.0
+S(Cc1ccccc1)SCc1ccccc1,3.087535787926754e-06
+Nc1ccccc1SCCSc1ccccc1N,0.9999862909317017
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,2.2424567092116376e-08
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,1.0
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.9917653799057007
+C[C@H](CN)O,2.0369400610675825e-11
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.9219773411750793
+C=CC(=C)Cl,0.4951804280281067
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,1.440907624328247e-07
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,1.4780139334646947e-09
+CC(C#N)C=C,9.472039153024525e-08
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.7354980707168579
+COc1ccc(cc1)C[C@@H]1OC1,1.0
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,4.283927523829334e-07
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.9999924898147583
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,5.418588261818513e-05
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.9998335838317871
+CCN=[N+](C)[O-],4.767824520968134e-06
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,3.649310714726184e-11
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,7.637248167213784e-09
+C=CC(=O)OCC(C)C,4.230268135785309e-09
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,1.207104916052817e-17
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.999982476234436
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.9999998211860657
+CC(=O)C=C,0.9988584518432617
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.9999992251396179
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,1.4196421034284867e-06
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+ClCC(=C)Cl,0.9998502731323242
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,7.66269589013574e-13
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,1.0
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.9391202926635742
+c1ccc(cc1)c1nc2c(o1)cccc2,6.227149462745274e-09
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5376556515693665
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,2.742454263682248e-09
+ClCc1cccnc1,0.000754494802094996
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,2.0380321430479853e-08
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],1.0
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,1.437299324696939e-11
+BrCC(=O)N(Cc1ccccc1)C,9.01395014807349e-06
+[O-][N+](=O)CCC(=O)O,8.89068323886022e-05
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,2.452382643746559e-13
+[O-][N+](=O)[CH-]C,9.84246526058996e-07
+O=Nc1n(C)cnc1c1ccccc1,0.9999728202819824
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,2.3142704766443423e-11
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.9999977946281433
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,3.0939756312520217e-10
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,1.0
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,1.638830217365328e-11
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,1.0
+Clc1cc(N)c(c(c1)C(=O)O)Cl,3.3768799388711468e-12
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],1.0
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,9.784039457251797e-16
+Nc1cccc2c1nc1c(N)cccc1n2,0.9999960660934448
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.0003221027727704495
+Nc1ncnc2c1cnn2CC(CN=N#N)O,1.0
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,5.205369839818623e-18
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,2.1310595649248754e-11
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,1.0
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.6606894731521606
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6517463326454163
+OCC1=CCN2[C@H]1[C@H](O)CC2,5.7306561274117485e-08
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,5.844267292332006e-09
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,1.0
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,2.947917951412471e-12
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.37551450729370117
+FCC(F)(F)F,9.058248906512745e-06
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,1.5931938037471732e-20
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.7179964184761047
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.8138087391853333
+CNC(=O)Nc1ccc(cc1)C(C)C,8.339214041530596e-11
+[O-][N+](=O)c1ccc(c(c1)C)N,0.9852039217948914
+OC(CN=[N+]=[N-])CN=[N+]=[N-],1.0
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.5858882665634155
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,6.201382518611354e-08
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.8378340005874634
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9993793368339539
+Oc1ccccc1c1nc2c(o1)cccc2,0.00021997044677846134
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.8778480291366577
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.05275437980890274
+[O-][N+](=O)c1cnc(s1)N,1.0
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,1.0
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,1.946960683452275e-16
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.10987892001867294
+c1cnc2c(c1)C1OC1C=C2,0.44285088777542114
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,3.3946673738682875e-07
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,1.0
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,1.0
+Cc1cnc2c(c1)cccc2,1.5005753084551543e-07
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,5.809998749467526e-13
+CCOC(=O)C(=C)C#N,0.0003105106297880411
+O=S1(=O)CCCO1,1.0
+C=C[C@H](c1ccc2c(c1)OCO2)O,5.787772352050524e-06
+CC12OC1C1CCCCC1c1c2cccc1,1.6584490725168877e-10
+CCCCOCCOCCOCCCC,0.005142976529896259
+COC(=O)c1oc(c(c1Cl)Cl)N,0.9038234949111938
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,5.089814203787513e-14
+OCC([N+](=O)[O-])(CO)Br,0.2708979547023773
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,1.0
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.0025552641600370407
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,5.3100329751032405e-06
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,1.0
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.8911024332046509
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.09616470336914062
+CCOc1ccccc1N,1.0
+NC(=N)NC#N,1.1448670193203725e-05
+CC1(OC1)c1ccccc1,0.9999994039535522
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9999998211860657
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9999970197677612
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,1.0
+Cc1ccc2c(c1)ccc(=O)o2,0.779407262802124
+O=c1n(CC2CO2)sc2c1cccc2,1.0
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,8.879729648469947e-06
+[O-][N+](=O)[C@@H](CO)C,0.050632525235414505
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,1.0
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,1.0
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,4.242896256556605e-09
+COP(=O)(OC=C(Cl)Cl)OC,0.0005752496654167771
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1.0
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,4.463646119390319e-11
+ClCc1c2ccccc2c(c2c1cccc2)Cl,1.0
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,1.8446544292061162e-10
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,1.5622381860369572e-11
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.9907784461975098
+BrC/C=C\CBr,0.8551790118217468
+C[C@H](C(=O)NCc1ccccc1)Br,1.0
+CCCCCCOC(=O)C=C,5.0926394178085754e-12
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],8.016596091139291e-18
+CN(N=O)C[C@H](O)C,1.0
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,1.8553396124131039e-13
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.6353596448898315
+ClCC=CCCl,0.9999990463256836
+ClCC(C(Br)(C)C)Br,0.38742509484291077
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],4.911202267976478e-05
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,1.0
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,6.65661780254248e-14
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.0010591490427032113
+C[N+]1=CC=C(CC1)c1ccccc1,0.997515857219696
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,1.0
+CC([N+](=O)[O-])(Cl)Cl,0.4054092764854431
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9999998807907104
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.9999979138374329
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,1.0
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,1.0
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.3668896555900574
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9989497065544128
+c1ccc2c(c1)ccc1c2cccn1,0.9999993443489075
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,1.6896468650884344e-06
+Nc1ccc(c(c1)O)C,0.8024709820747375
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],1.0
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,1.0
+Nc1cccc2c1-c1ccccc1C2,0.9949785470962524
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1.0
+Clc1ncccc1Cl,0.19309809803962708
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],1.4265278276128987e-14
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,1.0
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,1.0
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,1.0
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.9999993443489075
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.8957133293151855
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,1.0
+CCCCN([C@H](OC(=O)C)CCC)N=O,1.0
+CCCCCCCCC=C,2.2913407349278714e-07
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.0008111911593005061
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,1.0
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.9999998807907104
+COc1cc(N)ccc1N,0.9999998211860657
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,3.942692006209114e-11
+CC(=C)C#N,1.9707458420725743e-07
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,7.468084484152371e-11
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.9972234964370728
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.999997615814209
+CNC(=O)CSP(=O)(OC)OC,0.6954712867736816
+CC[C@@H](CN)O,9.328335181635339e-06
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],1.0
+COc1ccc2c(c1)C1CCCCC1C=C2,0.6417494416236877
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9999998807907104
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,1.6929185917696765e-12
+CC(N=C=NC(C)C)C,1.8345945136388764e-06
+c1ccc2c(c1)Sc1c(O2)cccc1,1.6289694031002e-05
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,2.182660182370455e-06
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,2.6811268049459214e-12
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9882127642631531
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,1.0
+Oc1cccc(c1)O,0.7344127893447876
+Clc1ccc(c(c1)Cl)Cl,1.3343145610633655e-06
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.15743859112262726
+O=Cc1cccc(c1)[N+](=O)[O-],1.0
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9999998807907104
+O=C([C@]1(C)OC1)Nc1ccccc1,1.0
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,1.0
+C[C@H](C=O)CC,3.0910871640088544e-09
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,1.711046749261578e-19
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.9999986886978149
+Brc1ccc(cc1)c1ccccc1,1.047655828756433e-07
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,3.3018140305207666e-11
+Fc1cccc2c1c1cccnc1cc2,0.9999997019767761
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1.0
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,7.007524374934763e-21
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,3.933364745023482e-10
+ClCCNCCCl,0.9999961853027344
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,1.0
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.5859479904174805
+Cc1cccc2c1ccc1c2cccc1,0.9999055862426758
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,3.091771838548141e-10
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],7.850676359000275e-11
+CCOP(=S)(OCC(C)C)SCCl,1.0693838392930588e-14
+OC(=O)c1ccc(cc1)Cl,1.1389707232911661e-10
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,1.0
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.9376741647720337
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],1.0
+COc1cc(ccc1O)CC1CO1,1.0
+CS(=O)(=O)C,7.617491064593196e-06
+Oc1ccnc2c1cccc2,0.18975907564163208
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,1.0
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,1.0
+Cc1ccc2c(c1)cccc2C,5.282214260660112e-05
+Oc1ccc(cc1O)C(C)(C)C,2.280062062709476e-06
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,1.6658580648254429e-07
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,6.097935199324278e-14
+COc1nsc2c1ccc(c2)N,1.0
+COc1cc(ccc1N)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,1.0
+CC/N=[N+](/CC)\[O-],7.074832473336068e-12
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9542956352233887
+CCOC(=O)c1ccccc1C(=O)OCC,9.95142901416557e-09
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,1.0
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.9999996423721313
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,5.617860843187827e-09
+CC(OC[C@@H]1OC1)C,1.0
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,2.1021050433930594e-21
+[O-][n+]1c2ccccc2nc2c1cccc2,0.16763125360012054
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.19738586246967316
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,1.0
+CCNS(=O)(=O)c1ccc(cc1)C,0.5918723344802856
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,1.0
+CO[P@](=O)(NC(=O)C)SC,4.571537245978696e-11
+CN[C@@H]([C@H](c1ccccc1)O)C,2.2254411646827066e-07
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],1.0
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,1.4140021448838525e-05
+Cc1ccccc1N.Cl,0.8685861825942993
+[O-][N+](=O)c1nccn1C,1.0
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,3.1531686772723333e-07
+BrCCSCC(C(=O)OC)NC(=O)C,1.0
+CC(=O)/C=C/c1ccccc1,0.9999879598617554
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.2689658999443054
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.0005737770115956664
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,2.5991364805175816e-15
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,1.0
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,2.869433968749047e-19
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,7.76053110933695e-15
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],1.0
+CC(=C)C(=O)OC[C@H]1CO1,0.9999998807907104
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.9926778078079224
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.0006098359590396285
+ClC[C@](CBr)(Br)C,6.992601697675127e-08
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9998161196708679
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,3.7082429141244155e-12
+O=C(C(C)C)Nc1snc2c1cccc2,0.7490371465682983
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.7666925191879272
+CCCC(=O)Nc1snc2c1cccc2,2.0631270913895605e-08
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,7.223010989031186e-16
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9998161196708679
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.9999971389770508
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,2.2968238571371806e-15
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.999998927116394
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,1.1988046935584862e-05
+COC(=O)C(=C)Cl,0.5058057308197021
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1.0
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,1.5100675701193444e-12
+C=C,0.000581807573325932
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,1.6210179086626614e-13
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,1.0
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,1.0
+ONc1ccc(c(c1)Cl)Cl,0.0006671970477327704
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.9936826825141907
+Nc1ccc2c(c1)s[nH]c2=O,1.0
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.43201199173927307
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.9999538660049438
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,1.0
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1.0
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.999951183795929
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,1.0
+OCCN(CCO)CCO,0.9180656671524048
+O=NN(c1ccncc1)C,0.6516326069831848
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,1.292286403890364e-16
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.43876537680625916
+CC(c1cc(ccc1N)c1ccccc1)C,0.41891661286354065
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,1.0
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,1.0
+Cc1cc(nc(n1)O)C1CC1,3.9789969008465625e-14
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],2.799940184219918e-12
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,2.1114562542834392e-08
+C=CC#N,6.731149255756463e-07
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,5.278129280099245e-25
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,1.0
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.9999977946281433
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],1.0
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,1.7588820870976367e-19
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.9923623204231262
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,1.1650949649499864e-10
+CCC12OC2O1,5.303723606131516e-12
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.22228625416755676
+C1COC1=O,0.0022691397462040186
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,1.367108537486672e-09
+OC(=O)O.N.N,1.4880154400320755e-11
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],1.0
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+Nc1cc(Cl)c(c(c1)Cl)Cl,2.5858307708404027e-05
+Cc1nc(N)nc(n1)N,2.6172797262802305e-09
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,4.783148321862996e-10
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.9130812883377075
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9999935030937195
+CN(c1[nH]cnc2-c1ncn2)C,0.7028471827507019
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.9999950528144836
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.20441170036792755
+O=c1oc2cccc3c2c2c1cccc2cc3,0.9999424815177917
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.7530799508094788
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],1.0
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,1.0
+NNc1nncc2c1cccc2,1.0
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9998891949653625
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9999969601631165
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9993045926094055
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,4.2067260785927374e-10
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,4.694277439074993e-27
+NC(=N)c1ccccc1,4.865824410060782e-10
+c1cc2cccc3c2c(c1)CC3,0.9999993443489075
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,8.037045963645018e-13
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,1.0
+c1ncc[nH]1,0.39451727271080017
+CCCCCCCC/C=C/CCCCCCCC(=O)O,1.7644663330429466e-07
+Clc1cc(Cl)c(c(c1)Cl)O,1.285378470328169e-10
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,1.0
+OCCN(c1ccc(cc1)C)CCO,7.561132861155784e-06
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,1.0
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,1.0
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.0002531158970668912
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,1.8151222036522086e-07
+[O-][N+](=O)C1CCCC1,1.3755489192135428e-08
+OCc1ccc(cc1[N+](=O)[O-])N,0.9999992251396179
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,1.0
+S1CCSCC1,0.9999793767929077
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,5.8551947347823386e-21
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,1.5041046194407036e-31
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,4.138396883065015e-20
+CC(C[C@H](O)C)C,1.4098354705893712e-09
+[O-][N+](=O)c1ccccc1C(=O)O,0.7988828420639038
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,4.3254485222814595e-17
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,9.851964577478611e-09
+ClC/C=C\Cl,1.0
+OC(C1CO1)CO,0.9999778866767883
+Nc1ccc(c(c1)N)O,1.0
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,3.787639535346443e-09
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],1.9214306794940184e-13
+O=C1C=CC(=O)c2c1cccc2,0.6513835191726685
+c1ccc[nH]1,0.002255684696137905
+Oc1cccc(c1)Cl,5.559017690615065e-10
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.22717897593975067
+NC(=O)CI,0.11569161713123322
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.7915600538253784
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.00014377535262610763
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.9877731204032898
+CNC(=O)Nc1ccccc1,7.360066028860857e-11
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.8331506848335266
+N#Cc1ccccc1[N+](=O)[O-],1.3449206903715094e-07
+CCNc1cc2oc(=O)cc(c2cc1C)C,1.0452059953213605e-13
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,1.0
+Cc1ccc(c(c1)N)O,0.679858386516571
+NCC(=O)Nc1ccccc1.Cl,0.9999758005142212
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.9995366930961609
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.8004722595214844
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.0005170059157535434
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9999750256538391
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,1.1577567191904188e-24
+OC1CC[N+](CC1)(C)C.[Cl-],1.6983095702319262e-12
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,6.266001613245992e-15
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.9999811053276062
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9986773729324341
+OCCC#N,0.004556806292384863
+Cc1cccc(c1)[N+](=O)[O-],0.0012033878592774272
+Cc1cccc(c1)O,1.0395846402388997e-05
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.42721861600875854
+CCCCCC[C@@H]1OC1,1.835030843722052e-06
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.9999992251396179
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,2.195171433137192e-14
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,3.2873405871214345e-05
+Nc1cc2ccccc2cc1N,0.9999544024467468
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,4.70680242870003e-05
+O=C(C1OC1)NCc1ccccc1,1.0
+CCCCCN(N=O)CCCCC,0.9999994039535522
+Cc1nc2c(nc1C)ccc(c2C)N,1.0
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,2.199844302148957e-15
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,6.863194734751943e-11
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,1.0
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,1.6716974418200642e-17
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,1.0
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.7807196378707886
+Oc1ccc(cc1)c1ccc(cc1C)N,0.08019571006298065
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,2.817460540427419e-07
+Cc1cc(C)nc(n1)Nc1ccccc1,7.046589700632211e-11
+O[C@@H]1COC(=C(C1=O)O)C,1.0
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,1.0
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,2.7803256787678308e-18
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.9238132238388062
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,1.0
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.996950626373291
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.999954342842102
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,1.10813622991942e-18
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,4.0670366380224365e-12
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.8403371572494507
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.4004870355129242
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,2.1204679678810123e-10
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.331889271736145
+COP(=S)(OC)OC,0.05512715503573418
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,2.8049728366474348e-24
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.9999991655349731
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,1.0
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,1.0
+CC(=C)C1CO1,1.0
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,2.9578083982073622e-08
+OC(=O)CCCCC1SCC2C1NC(=O)N2,4.637305621967014e-13
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,4.286119054117392e-28
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,6.650789944814828e-13
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.6300376653671265
+COC1=C(OC)C(=O)C(=CC1=O)C,1.9184248856163322e-07
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.9999996423721313
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9999264478683472
+C=Cc1ccc(cc1)C,3.358449021106935e-07
+CCCCON(C(=O)c1ccccc1)OC(=O)C,1.0
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,1.0
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,2.9203494733565094e-08
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,1.6716974418200642e-17
+CSc1ccc(cc1)Cl,1.5743944342672123e-11
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.004176256246864796
+C/N=N/O.[K+],1.0
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,2.1804940123458516e-13
+O=C(n1cncc1)n1cncc1,0.0005131254438310862
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,3.474744450504552e-11
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,3.9140029272314544e-22
+Cc1ccc(cc1)Cc1ccccc1,5.975385186651749e-10
+Cc1ncc2c(n1)CCC2,8.413782170979545e-11
+CC(=O)OCN(N=O)CCCl,1.0
+O=Nc1nccn1C,1.0
+OC[C@@H]1SCCN1N=O,0.03128313645720482
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.797573447227478
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,3.1751673144597837e-21
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.6170836687088013
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,1.530184312592553e-09
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,1.0
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,1.2978797429700153e-20
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,1.5386221349734594e-14
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.9746836423873901
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.9999994039535522
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,2.3544766136751605e-08
+O=C1C=C(O)c2c(C1=O)cccc2,0.4832536280155182
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,1.1196624654985499e-05
+O=C(c1ccccc1N)OC1CCCCC1,1.199224897163731e-07
+O=Cc1c2ccccc2cc2c1cccc2,0.9299613237380981
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.5216842889785767
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9999992251396179
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.7891206741333008
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.00011231721146032214
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,1.0
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.5304735898971558
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,1.8253584244121157e-07
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,1.0
+Nc1cccc2-c3c(Cc12)cccc3,0.8388322591781616
+Cc1cc2-c3ccccc3Cc2cc1C,0.6155973672866821
+CCOC(=O)CNC(=O)C(Br)(C)C,4.277058850317428e-13
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.0017430592561140656
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,1.3135124845575774e-06
+[O-][n+]1cnc2c(c1N)[nH]cn2,1.0
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.857697606086731
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.9964470863342285
+COc1cc(N)ccc1C,0.9963133931159973
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.6873442530632019
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,4.211384236896265e-07
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,2.014923761121665e-20
+CN(c1nc(C)c(c(n1)O)C)C,5.194947297926006e-16
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.9653573036193848
+N#C/C=C\C#N,6.580053391047613e-09
+c1scc(n1)c1nc2c([nH]1)cccc2,2.306356883252647e-08
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,1.0
+CC(CCON=O)C,1.0
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,5.655109713842421e-11
+CCCC(=C)C=O,0.9973562359809875
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,1.0
+OC1=C(C)CCC1=O,0.17778024077415466
+C/C=C/CC#N,6.622485893004182e-10
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.001963946735486388
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9999988675117493
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,1.0074584232043659e-19
+CCC(=C)C=O,3.46625893143937e-05
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,3.0577544229954236e-15
+Nc1cccc2c1snc2Cl,1.0
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.8968250155448914
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.0002450926403980702
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,8.0821243031437e-09
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,2.443083983814237e-13
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,4.833167274818321e-31
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,1.0
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6221798659898923e-07
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,9.53502381217941e-12
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.9846409559249878
+CC1=CC(=O)CC(C1)(C)C,5.919110090957247e-09
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.9999912977218628
+N#Cc1ccccc1,0.00011003906547557563
+C=CC(=O)OCCCCCCOC(=O)C=C,2.2641122917471668e-15
+NCCNC(=O)c1ccc(cn1)Cl,5.741881068388466e-07
+O=C1c2ccccc2Cc2c1cccc2,2.1704683604184538e-05
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,2.202459516373605e-15
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9999954104423523
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.00047826580703258514
+O=Nc1c(CC)cccc1CC,0.10205276310443878
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.9831043481826782
+Nc1ccc(cc1)F,0.9999979138374329
+CC(=O)Nc1cccc(c1)N,0.999087929725647
+OCCCCCCC/C=C/C=C/C,2.561340807005763e-05
+O=Nc1cccc(c1)c1ccccc1,1.0
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.9987915754318237
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,1.0
+NCCNCCNCCNCCNCCN,0.6285465955734253
+COP(=O)(N1CCOCC1)OC,0.5577298998832703
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,1.4636158573931648e-18
+NC(C(=O)O)CCCCNCC(C(=O)O)N,6.072262137557516e-11
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,1.0
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9999833106994629
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,1.758906620352718e-08
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,1.635081284777351e-12
+C/C=C\c1cc(OC)c(cc1OC)OC,0.9998048543930054
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,1.0
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,1.0
+[O-][n+]1c[nH]c2-c(c1N)ncn2,1.0
+Nc1ccc(cc1)N.Cl.Cl,0.9991439580917358
+CCCCCCCCCCO,6.958029291626033e-11
+CC(=O)/C=C\c1ccccc1,0.9999664425849915
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],4.719578246594806e-17
+CCSCCSP(=S)(OC)OC,0.00677833566442132
+C=CS(=O)(=O)C,0.0033523421734571457
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,2.1683346858480945e-05
+ONc1c(C)cccc1C,0.8538261651992798
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,1.7140781723361287e-20
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,1.9314376764612007e-09
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.18002384901046753
+ClCCN(c1cnc(nc1O)O)CCCl,0.4217597544193268
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9999982714653015
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.19867585599422455
+CNC(=O)ON,0.9999998211860657
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.00013325917825568467
+CC(CC1NC(=O)CNC1=O)C,8.246819026280772e-13
+Oc1ccc2c(c1)cccc2O,0.8260076642036438
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,1.198495903215191e-11
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.47824329137802124
+CCNc1nc(NCC)nc(n1)Cl,9.552805815398477e-17
+S=C(Nc1ccccc1)Nc1ccccc1,2.690749170142226e-05
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,6.867270650771977e-17
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,3.597197206772762e-08
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.9994922876358032
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,1.0
+O=Nc1c(O)ccc2c1cccc2,0.7819472551345825
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.6970186233520508
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,2.015053297554914e-07
+OC(=O)O,1.2473230226461851e-09
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,6.173898198236216e-11
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,7.261505653326485e-23
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1.0
+NC[C@H](N)C,0.13571180403232574
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,4.3000322746955533e-10
+OCCc1ccccc1,0.19927498698234558
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,9.060766026358635e-11
+O=c1[nH][nH]c(=O)c2c1cccc2,1.0483645951353537e-08
+CCNCC,2.9143071955672895e-08
+OCc1ccc(cc1)O,2.9634193765559758e-08
+Clc1cccc2c1cc1ccccc1c2,0.9999923706054688
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,1.91859611531342e-10
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,3.8138537467036215e-12
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.7415825128555298
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,1.0
+Cc1ccc(cc1NCC)O,7.120506779756397e-07
+BrCC(c1ccccc1)Br,1.0
+c1ccc2c(c1)[nH]nn2,2.1266021832389015e-08
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.03637463599443436
+[O-][N+](=O)CC,0.8161724209785461
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,9.825182168775532e-20
+N[C@H](C(=O)NCC(=O)O)CS,0.9999998807907104
+Nc1ccc(c(c1)N)N=Nc1ccccc1,1.0
+Nc1ccc(cc1)Br,0.29460448026657104
+ONc1ncnc2c1ncn2C,1.0
+NC(C(=O)O)CS/C=C/Cl,1.8202923612875566e-09
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,1.8329750626935697e-14
+CNP(=O)(N(C)C)N(C)C,7.711781213615154e-11
+[O-][N+](=O)NC(=N)NC,1.8504253684881178e-11
+OC(=O)CC[C@@H](C(=O)O)N.[K+],3.1429783775571707e-10
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,1.0
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,5.1920673286076635e-05
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,2.360736931460161e-13
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.9999178051948547
+CCc1ccc(nc1)C,9.318176230621589e-10
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,6.63332875341871e-17
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,2.478622818102849e-08
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],1.5471848802128818e-10
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,8.504043580437326e-10
+Cc1cncc(n1)C,1.3405782560427237e-12
+O=CN(c1cccc(c1)Cl)O,1.1463000548772584e-09
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.7920246124267578
+CCOC(C(=O)C(O)O)C,0.3999885022640228
+Cc1ccc(c2c1cccc2)C,0.0002741641947068274
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.999969482421875
+c1ccc(cc1)/C=C/c1ccccc1,0.7502057552337646
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],1.0
+Cc1ccc(cc1)Br,2.503763323513826e-14
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],3.3451054426425486e-12
+Nc1ccc2c(c1)cccc2,0.9998806118965149
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,4.274996291209546e-14
+CC1(OC1)c1ccc(cc1)Cl,0.7895241379737854
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,1.0
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1.0
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.9999998211860657
+ClC[C@H](O[C@@H](CCl)C)C,0.9999907612800598
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,8.889174986370652e-12
+CC(CCOC(=O)CC(C)C)C,3.027093575802553e-10
+c1cnc2c(c1)CCC1C2O1,1.5300482658631154e-08
+ClCC=C,1.0
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,1.0
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,9.706886336391385e-12
+ClC(=C)C#N,0.0002080720878439024
+C/C(=C/COC(=O)C)/CCC=C(C)C,1.748099400072096e-18
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,2.18279594399462e-09
+CC(=C)C(Cl)C,9.333807611255907e-06
+Oc1nc2c(o1)cccc2,1.9436731690802844e-07
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.9847989082336426
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],7.778121950772349e-14
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,1.750744438311358e-08
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,1.4673183779123633e-09
+[O-][N+](=O)c1ccccc1C,0.804317831993103
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.9999998211860657
+NCCCNCCCCN(N(N=O)O)CCCN,0.7883397936820984
+CSc1ccc(cc1C)OP(=S)(OC)OC,2.6793158802718153e-09
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,1.0
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9999998807907104
+OC(=O)CCCC[C@H]1SSCC1,4.3349437817141734e-08
+NS(=O)(=O)c1ncn[nH]1,5.204047370983844e-13
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,1.1853497350333697e-11
+CCOCC=O,1.0847904796662533e-09
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,4.770192241210225e-09
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.43379467725753784
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,3.6800223721900267e-19
+C[C@H](C(=O)NCC(=O)O)S,0.00026036601047962904
+COc1nncc2c1nccc2,2.5819628657330895e-09
+O1CCOCCOCCOCCOCCOCC1,0.21791493892669678
+COC(=O)C(CSCCCl)N,1.0
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,1.1124206516068078e-14
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],1.0
+CCCCOC(=O)/C=C\C(=O)OCCCC,9.689039630019543e-15
+CCCCCCCCCCCCCCCCCCCC,3.241738113501924e-07
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,1.0
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],1.0
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.5511132478713989
+ONc1[nH]cnc2-c1ncn2,1.0
+CNP(=S)(N1CC1)N1CC1,1.1560153325262945e-05
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.00022764883760828525
+Nc1scc(n1)c1ccccc1,0.00040193149470724165
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,1.0
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9705311059951782
+CN.Cl,1.7744992975021745e-10
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,1.4551779349620211e-30
+OCCI,0.0002140800206689164
+CCNc1snc2c1cccc2,2.107551600686458e-13
+CCCCCCCCCCCCCC=C,9.762352704001387e-09
+Oc1cc(O)c2c(c1)oc(=O)cc2C,3.8769923094150727e-07
+COc1ccc(cc1)C=O,6.782032713203989e-10
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.9999960064888
+N#Cc1cccc(c1)[N+](=O)[O-],1.3634014521812787e-06
+CC/C=C\C#N,2.3656275160988116e-08
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.9999278783798218
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,2.1603754747915063e-31
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.9999761581420898
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],1.0
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,3.275193591889547e-07
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,1.0
+CCc1ccnc2c1cccc2,0.0003154946898575872
+OC/C=C/c1ccccc1,0.9697376489639282
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,9.753614440583185e-23
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,4.603613433573628e-06
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,6.492648085831831e-11
+O=Nc1ccc(cc1)O,1.0
+O=CC(=O)C,0.9921291470527649
+Clc1ccccc1S(=O)(=O)N,9.361162493499824e-15
+O=NN(Cc1cccc(c1)C)C,0.5816918611526489
+CSCCC=O,1.0229292456642725e-05
+COCC=O,9.03425223519605e-10
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1.0
+Clc1nncc2c1cccc2,3.413102023230863e-09
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.6384343504905701
+OCCNc1ccc(c(c1)O)C,0.994495689868927
+CC(c1ccccc1)C,0.19745424389839172
+BrCC(=O)Nc1ccc(cc1)C,0.0015870730858296156
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.9999893307685852
+O=Cc1ccc(o1)[N+](=O)[O-],1.0
+ONc1ncnc2c1ncn2Cc1ccccc1,1.0
+C1CCC2(CC1)CO2,0.43394312262535095
+Fc1ccc2c(c1F)nccc2,0.9999983906745911
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.003453050507232547
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,3.3209071261808276e-06
+O=C(Nc1ccc(cc1)C)CC(=O)C,1.5039412770700977e-10
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,6.167621968700132e-12
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9992246627807617
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9999872446060181
+O=C1c2ccccc2C(=O)c2c1cccc2,0.008232571184635162
+CCCCOC(=O)c1ccccc1N,3.800846443136052e-11
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,1.6317967719713744e-18
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.999996542930603
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,2.6601599104113336e-17
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,1.0
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,1.0
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,2.011911904437058e-12
+OCCCCl,0.11153393983840942
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,2.9773218435746314e-18
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,1.5758142524191499e-07
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,6.6042127322418764e-09
+Oc1ccc(c(c1Cl)Cl)Cl,1.358176765497987e-10
+COc1cc(C=O)c(cc1OC)OC,0.22649438679218292
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,1.6407836667497534e-23
+ClC(=O)c1ccccc1F,0.9999998807907104
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,3.2433260912512196e-06
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1.0
+BrCC(=O)c1ccc(cc1)Br,1.4260102820795595e-10
+CNc1ccc2c(c1C)ncc(n2)C,0.9999998211860657
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,5.077308916858643e-20
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1.0
+COc1nsc2c1cccc2OCC1CO1,1.0
+ONS(=O)(=O)c1cccc2c1nccc2,0.01154514029622078
+Clc1cccc(n1)Cl,0.18870007991790771
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.9999971389770508
+CSCCC(C(=O)O)N,9.99715067673268e-12
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.3773502707481384
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9910115003585815
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9998067617416382
+C[C@H]1CCOS(=O)(=O)O1,1.0
+C[C@H]([C@@H](CCl)Br)Br,1.0
+OC1CC(C)(C)N(C(C1)(C)C)O,9.478952051722445e-06
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.8706504106521606
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,1.0
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1.0
+CNC(=O)Oc1ccccc1,0.9999755024909973
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,1.0
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,6.768892358514217e-14
+OC[C@@H](CI)O,0.001221362268552184
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.9992666244506836
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],1.0
+Nc1ccc(cc1)Sc1ccc(cc1)N,1.0
+Cc1cnccn1,3.804412060175958e-15
+O=C(C(Br)(C)C)Nc1ccccc1,1.2404096594309522e-07
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,7.0545210298367245e-12
+[N-]=[N+]=CC(=O)NCC(=O)NN,1.0
+CC(=O)N[C@H](C(=O)O)CSCCCl,1.0
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,5.952604520409466e-10
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,1.0
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.9999996423721313
+Nc1ccc(cc1)Cl.Cl,0.90587317943573
+O=Nc1ccc(cc1)Sc1ccccc1,1.0
+CC1(C)C2CCC3(C1C2)CO3,5.560856679645565e-13
+COC(=O)C(NC(=O)C)CSCC(Br)C,1.0
+CC(C=O)CC,7.555078784804437e-11
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,1.0243737108561746e-10
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,1.0084528698217632e-12
+O=c1oc2c([nH]1)cccc2,3.86248359518504e-07
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,1.0
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9999943971633911
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.9999997019767761
+Clc1cccc(c1)C(F)(F)F,1.2304242347216388e-10
+[Cu].[Cu].O,5.5755335779394954e-05
+Nc1nc2c(n1C)ccc1c2nccc1,0.9767366647720337
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.9999955892562866
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,1.0
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,1.0
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.23225171864032745
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,1.1794381101518049e-15
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1.0
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9999994039535522
+C/C=N/N(C=O)C,0.9999929666519165
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,1.0
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,3.249449996239011e-18
+Cc1ccccc1S(=O)(=O)N,0.0009734979830682278
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,1.072286304889433e-17
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+Nc1ccc(cc1)Oc1ccccc1,0.9968147277832031
+CC(=O)OCC=C,1.8155598535397844e-15
+CCCC[C@H](COC(=O)C=C)CC,3.039620760495777e-14
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,7.763209519673353e-11
+CCCCCCCCCCCCCCCC[C@H]1CO1,1.835030843722052e-06
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,2.572868716516046e-20
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,3.453006502240896e-05
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,1.4673183779123633e-09
+COC(=O)c1ccco1,0.03239483758807182
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9999982714653015
+Clc1c2ccccc2cc2c1cccc2,0.9999932050704956
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.6240994334220886
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,7.239144700355027e-11
+Nc1n[nH]cn1,0.9999994039535522
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.7529489994049072
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,2.588258671650705e-15
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9999997019767761
+CNC(=O)N(c1ccccc1)c1ccccc1,2.171472442569211e-05
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,2.0618835527841384e-09
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.8218948245048523
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,1.0
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,1.0963000899612534e-14
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,1.0
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,5.242196547537292e-22
+Nc1cccc2c1nc1cccc(c1n2)N,0.49721041321754456
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.9999271631240845
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,1.0
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,2.272432355951525e-20
+O=NN(c1ccccn1)C,3.696846717637925e-10
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,1.0
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.19426840543746948
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,1.6083302396046133e-20
+C/C=C(/C=O)\Cl,1.0
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9999925494194031
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.999998927116394
+OCCCN=N,0.9997849464416504
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.9999915957450867
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,7.378357157970849e-22
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.25829145312309265
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,1.0
+c1ccc2c(c1)[nH]cc2,0.8042294383049011
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.9766327738761902
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,1.0679131884350213e-10
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,2.5123003069893457e-05
+COP(=O)(OC)OC,2.9074473939516565e-09
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.999986469745636
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,1.0
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.9999737739562988
+Clc1cccc(c1)[N+](=O)[O-],0.56719571352005
+O=C(Nc1ccccc1C)CC(=O)C,2.1138224504113623e-10
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.9999987483024597
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.3982026278972626
+N#C/C(=C\c1ccco1)/C(=O)OC,2.6028273980571726e-10
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9996391534805298
+Clc1nnc(c2c1cccc2)Cl,5.809706635773182e-07
+CCOc1ccc(cc1N)NC(=O)C,0.9999946355819702
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,1.0
+NCCN,0.32915788888931274
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.0258586423403017e-17
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,7.508639043862786e-08
+CCCCCc1cc(O)cc(c1)O,3.2488668331130677e-13
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.17138776183128357
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.9999995231628418
+NC(=O)CN1C[C@@H](CC1=O)O,1.2319864254095592e-05
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,1.1670280186833453e-14
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,1.4236470075729146e-12
+c1cnc2c(c1)ccc1c2cccn1,0.9999859929084778
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,1.3937891480964026e-06
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,1.4027584736676252e-19
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.9996567964553833
+O=NN(C(=O)O/N=C(\SC)/C)C,0.7986243963241577
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.9999539256095886
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,3.484967507223069e-16
+CCNc1cccc(c1)O,0.5087709426879883
+ClC[C@H]1CO1,1.0
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.9999946355819702
+O=NN1CCC=CC1,0.999998927116394
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9990277290344238
+NC(C(=O)O)CSC(C(Cl)F)(F)F,1.065553897205973e-05
+CCc1ccc(cc1)C,1.2275789629256906e-07
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.09608384221792221
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],1.0
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.0030270861461758614
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5051234364509583
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.799982488155365
+ClCC(CCl)(CCl)CCl,0.2109428346157074
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,1.0
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,3.4123702334909467e-06
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,1.2467620535971946e-06
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],1.0
+CCCCCCCCCCCCC=C,9.762352704001387e-09
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.9998701810836792
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.7805595993995667
+CCCON=O,1.0
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9999759793281555
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],1.0
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.9840849041938782
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.1911240965127945
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,1.2932798318282348e-35
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9999998807907104
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,3.7878750971335334e-14
+N[C@H](C(=O)O)CSCCCl,1.0
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,4.040761540346985e-21
+SCCc1cnccn1,0.055301062762737274
+NCCCCCCN,0.005431811325252056
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,1.0233414787967437e-15
+CC(=O)N,0.0010929242707788944
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,3.155953440729897e-17
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,1.0
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1.0
+ClC(C1=C(Cl)C(=O)OC1O)Br,1.0
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,1.0
+CN(c1ccc(cc1)N)C,0.9998639822006226
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1.455232450098265e-07
+CCCCCCCCCCCCCO,6.958029291626033e-11
+OCc1ccc(cc1)OC,0.214032381772995
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.9999915957450867
+COc1ccc(c(c1)C)N,0.9999739527702332
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.2001427412033081
+BrCC(Br)(Br)Br,0.06293264031410217
+Nc1cccc(c1)C(F)(F)F,3.3624790063413457e-08
+NC(C(=O)O)CN=N#N,1.0
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.9999948740005493
+NC(=O)c1ccccc1C(=O)N,0.06413356959819794
+O=NN(c1cccnc1)C,1.0
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.8972589373588562
+O[C@H]1C=CC=C[C@@H]1O,0.9999980926513672
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.016146700829267502
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,6.498814507371886e-12
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1.0
+CC(=[N+]([O-])[O-])C,0.8139098882675171
+Nc1ccc2c(c1)c(Cl)ns2,0.9999966621398926
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,2.0166917238384485e-05
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9999997019767761
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.036905691027641296
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,1.0
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.04989633709192276
+BrCCC(Br)Br,0.9999160766601562
+NCCNc1cccc2c1cccc2,1.0
+CCCCOC(=O)CCC,1.1800368353905716e-14
+Cc1ccc2c(c1)cccn2,0.8131446838378906
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.37659475207328796
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,2.4210730025875458e-15
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],1.0
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,7.804915185261052e-06
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,2.2367907526188446e-10
+Oc1cccc2c1OC(C2)(C)C,2.0719541533875674e-12
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.3513668179512024
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.9999998807907104
+COc1cc(/C=C/C(=O)O)ccc1O,4.3463557752865256e-10
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,5.0142183140404445e-27
+Nc1[nH]ccc2-c1c1ccccc1n2,0.3903672993183136
+ClCl,0.0012916442938148975
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.25762373208999634
+Sc1ncc(c(n1)O)C,9.805810745095074e-15
+CCOC(=O)CC(O)C,5.269372422844754e-07
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,1.0
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,1.0
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,1.0
+NCC(C)C,0.18841049075126648
+C=C[C@H]1CCC=CC1,5.8234422795067076e-06
+[O-][n+]1cccc2c1C=CC1C2O1,9.475346814724617e-06
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.999954879283905
+CCN(c1cccc(c1)O)CC,0.38529637455940247
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9999809265136719
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,1.0
+CCOP(=O)(N(C)C)C#N,1.8285765696762768e-12
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,9.201973662491692e-15
+C/C(=C/C)/C#N,4.633592988467772e-12
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.3911239206790924
+CCCCC/C=C\C=C/C=O,1.538426113256719e-05
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.6679555830441949e-21
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,3.245887823710408e-21
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9999998807907104
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,1.3509124989328148e-17
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.7597918510437012
+OCCn1c(C)ncc1[N+](=O)[O-],1.0
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,1.0
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9999998807907104
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,5.39356170836669e-10
+OCc1ccc(cc1)[N+](=O)[O-],0.8007360696792603
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.9999607801437378
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.0012616937747225165
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,1.061934763220745e-22
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1.0
+CN=C=S,0.0015308789443224669
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.7408953905105591
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7611289620399475
+CCC(C)C,7.372386789938901e-07
+NNc1ccccc1.Cl,0.998395562171936
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.9999998211860657
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.1759624034166336
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+O1C2C1C1N=NC2C2C1O2,0.9941584467887878
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,1.0
+CCOC(=O)C(CS)N,0.6230937242507935
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9999990463256836
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1.0
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.9998810887336731
+O1CCN(CC1)SSN1CCOCC1,0.0022407560609281063
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9999589920043945
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,3.4062946907553737e-10
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,5.223367370888756e-16
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,9.367597572206704e-14
+CCOC(=O)CNC(=O)C(Br)C,1.0
+CNc1ccc2c(c1N)nc(cn2)C,0.39761871099472046
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.6575303077697754
+C[C@H](CCl)O,0.39398854970932007
+C[n+]1c2ccccc2cc2c1cccc2N,1.0
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,2.6044316646356945e-14
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9999887347221375
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,1.0
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9999988675117493
+OCC(Cc1ccccc1)CN=N#N,0.602636992931366
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7728482484817505
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.9999960660934448
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,1.0
+S=P(N1CC1)(N1CC1)N1CC1,0.003925528842955828
+Nc1nc(nc(n1)O)NC(C)(C)C,1.8942043943853984e-17
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,1.0195379900324042e-06
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,1.8231430266225608e-21
+OCCN(CC(=O)O)N=O,0.9999920725822449
+CCCBr,0.5968934893608093
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,1.0
+NNc1nncc2c1ccnc2,1.0
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,1.7119333983454632e-29
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,2.3274589720789773e-12
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,1.534885996079538e-06
+COC(=O)c1ccccc1,9.679880719204448e-08
+COC(=O)CC(=O)C,8.045247311452413e-17
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.920904278755188
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,2.5127933512803186e-21
+Br[C@H](CBr)COC(=O)C=C,1.0
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.9999648928642273
+Fc1cccc(n1)F,0.013868304900825024
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.9999925494194031
+CCCCN(CCCC)N,1.5218838598229922e-05
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,2.935968412831613e-10
+CC(c1ccc(nc1)C(F)(F)F)O,3.1503726806116704e-19
+C=CC(=O)OC[C@H]1CO1,1.0
+Nc1ccc2c(n1)n1ccccc1n2,1.0
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,1.0
+ONc1ccc(c(c1)C)C,0.9970294833183289
+BrC(=C)C(=O)C,0.6567366719245911
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.3916880488395691
+Nc1ccccc1C(F)(F)F,0.012983465567231178
+NNc1ccc(cc1)[N+](=O)[O-],1.0
+CNCCO,9.093813202465384e-11
+NCCCCC(C(=O)O)N,3.964658503718965e-07
+C=CC(=C)C,0.008514138869941235
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1.0
+O=c1ccc2c(o1)c1ccoc1cc2,3.8192223428268335e-07
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9999951124191284
+NCCc1cc(O)c(cc1O)O,0.999664306640625
+Nc1ccc(c(c1)Cl)Cl,0.6802459955215454
+OC(=O)CCC(=O)O,6.370191840687767e-05
+Cc1cccc(c1)N.Cl,2.692139332793886e-06
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,1.0
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,4.5357609224083717e-07
+CC([N+](=O)[O-])C,5.4970890062122635e-09
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,1.3694037223621613e-13
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.9959229230880737
+NN(c1ccccc1)c1ccccc1,0.9999950528144836
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,3.499596242678184e-14
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,1.6274675834412888e-12
+OS(=O)(=O)c1cccc2c1nccc2,0.7083818316459656
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.0004356868448667228
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1.0
+CC(COC(=O)c1ccccc1N)C,4.550932963809373e-09
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.0011354058515280485
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,1.793516826939116e-17
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,4.1975017212037e-12
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.9999969601631165
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,1.0
+CN(C(=O)NC)N=O,1.0
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,4.878601795005148e-14
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.9768254160881042
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.2390473335981369
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,1.0
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],1.0
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9999996423721313
+CON,0.0005955493543297052
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,1.0
+Oc1ccccc1c1ccccc1O,0.9988707304000854
+Nc1nc(N)c2c(n1)nc[nH]2,7.382554656487628e-08
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+Oc1ncc(c(n1)O)F,6.784416084482103e-11
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.9999877214431763
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,5.945887309823759e-27
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,1.0
+O=NN1CCCCCCCCCCCC1,1.0
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,4.020963562112456e-09
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,1.0
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],7.38359547114431e-12
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,1.3979577897339732e-25
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],1.780068987761372e-16
+OC1C2OC2c2c(C1O)c1cccnc1cc2,1.0287481927662157e-05
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+C/C(=C\C)/CCl,0.7597813606262207
+C[Si](N=N#N)(C)C,0.5936904549598694
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,1.3012764693912104e-12
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,5.0099545822676617e-14
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.0004660160338971764
+OC(=O)Cc1ccccc1[N+](=O)[O-],2.2837948563392274e-06
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,1.5077080206538085e-07
+Cc1ccc2c(c1)ccc1c2cccc1,0.9998067617416382
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,1.0
+C[n+]1c2ccccc2cc2c1cccc2,0.9999948740005493
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,7.001924677751958e-05
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.480582058429718
+NC(=O)/N=N/C(=O)N,0.4901282787322998
+C=CCOC[C@H]1CO1,0.997842013835907
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,1.0
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,3.649252525193246e-17
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,1.1411482652920468e-12
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.04356720298528671
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.9999973177909851
+ClOCl.[Cu+2],0.0005027939914725721
+OCC(CO)O,0.00024022511206567287
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.01569739729166031
+O=CN(c1ccc(c(c1)Cl)Cl)O,7.022071076789871e-05
+OCC=C,0.7926287055015564
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,3.575071968953125e-05
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,1.0
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.00027250003768131137
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.12405760586261749
+O=CCC=O,6.5545056713745e-05
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,5.725581548590361e-14
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,4.190247866568686e-13
+Nc1sc2c(n1)c(Cl)ccc2,1.5958627272993908e-06
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9999993443489075
+C[C@@]1(CO1)C=C,5.2485229389276356e-06
+OC(=O)Cc1ccc(cc1)N,0.0040024868212640285
+CCN(C(=O)N(C)C)N=O,1.0
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,4.14697642554529e-05
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.9996088743209839
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,1.7979714261482857e-14
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,1.3849287894345007e-20
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,1.7854755451907067e-09
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,1.1512581252898224e-12
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,1.0
+C/C=C\C=C/C=O,0.999995231628418
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,7.464564077963587e-07
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,3.43362771673128e-05
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.004405726678669453
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,2.2947638456116692e-08
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9999909400939941
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.9999970197677612
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,6.061649012595316e-12
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,1.0
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,8.53567172498515e-08
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,2.477623106678095e-10
+C=O,0.01616634987294674
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.9999998211860657
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,6.029255057455468e-14
+CCN/N=N/CC,1.0
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],1.0
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9998868703842163
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,1.3200580830581581e-17
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.999995231628418
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9999960064888
+C=CC1CC2CC1C=C2,1.870880837404054e-12
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,3.7948816425001467e-17
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.5485010743141174
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.49998679757118225
+FC(c1ccccc1)(F)F,7.3296105256304145e-06
+OC(CO)CN=N#N,1.0
+BrC(C(=O)O)Br,0.001483293017372489
+Br/C=C/Br,0.010401872918009758
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,1.5695354704803322e-07
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,6.009250137140043e-05
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,6.0486322617236965e-09
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,1.5427691124614284e-08
+Cc1ccc(cc1)N(C)C,0.4057818055152893
+Cn1nc(c(c1)C(=O)O)C(F)F,2.528324771766677e-10
+Nc1cccc2c1nc1ccccc1n2,0.5089804530143738
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],1.0
+COc1cc(OC)[nH]c(=O)n1,2.683908029155191e-08
+CCCC[C@H](COS(=O)(=O)O)CC,3.245082916691899e-05
+CCCCCCCC/C=C\CCCCCCCCN,1.084803180617655e-08
+OS(=O)(=O)c1ccccc1,1.4125012626209354e-07
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.0002100379642797634
+CCC/C=C(\C=O)/CC,1.8315186867123856e-10
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.5698347687721252
+C[C@H](CBr)O,0.9975913763046265
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],1.2286677415050976e-23
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,8.992235938070497e-14
+O=NN1CCN(CC1)N=O,0.9999856948852539
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.00019296632672194391
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9999998211860657
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1.0
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.8655750155448914
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,1.0
+FS(=O)(=O)F,0.028286969289183617
+C1OC(=O)C=C1,1.1430721542637912e-06
+O=C1C=CC(=O)C(=C1)C,5.8256006241208524e-08
+ONc1ccc(cc1)Sc1ccccc1,1.0
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,1.0
+COc1ccc(cc1)C(C=C)O,6.514673600577225e-07
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,6.105725124104776e-19
+CC(=O)Nc1cccc2c1ncc(c2)F,0.5385528802871704
+CC(OC(=O)Cc1ccccc1)C,2.220479291281663e-05
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,1.0
+COCCOC,0.3325446546077728
+[O-][N+](=O)c1ccc(c(c1)C)C,0.42476144433021545
+Oc1ccc(nn1)O,1.4836538753115747e-07
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.18226130306720734
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,1.0
+O=C1C=C(N)c2c(C1=O)cccc2,0.3487955629825592
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.08990813046693802
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.9993432760238647
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.05005495622754097
+Nc1ccc2c(c1)nc(c(n2)C)C,1.0
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.9999743700027466
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.999927818775177
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.9999997019767761
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,3.992096638070347e-13
+Clc1ccc(c(c1)Cc1ccccc1)O,0.037004850804805756
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.0005962803261354566
+ClCc1ccccc1CCl,0.4570395052433014
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,7.729960421754001e-11
+O=C(C(Br)C)NC(C)(C)C,0.9999982714653015
+COP1(=S)OCc2c(O1)cccc2,0.9916881322860718
+CCOC(=O)CC(=O)CCl,7.085890096902858e-09
+C=CC(=O)OCCCCCOC(=O)C=C,4.072542216654318e-12
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9999992251396179
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,3.433544559783286e-09
+CNCCS(=O)(=O)O,6.118571205249168e-10
+Nc1ccc(cc1)S(=O)(=O)N,3.0957403396314476e-06
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,1.0
+[O-]S(=O)(=O)[O-].[Fe+2],0.42779651284217834
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.9999927282333374
+CCOC(=O)CBr,0.0027563332114368677
+ClCCCCN(COC(=O)C)N=O,1.0
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.9999574422836304
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9999967813491821
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.617333173751831
+O=C1C=CC(=N#N)C=C1,0.16127893328666687
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,1.0
+O=C(C(=O)O)C(=O)O,3.504666165099479e-05
+Cc1cnc(c(n1)C)C,0.46299999952316284
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,4.2198389536019694e-20
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1.0
+CC/C=C/1\OC(=O)c2c1cccc2,0.0005145004251971841
+Oc1cc(O)cc(c1)O,5.697878077626228e-05
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.9999954104423523
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],5.263492007696879e-13
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,2.591764030057675e-07
+CC(Cl)C,0.7967647314071655
+CCCCCCCCCCCCCCCCCCN,2.4414664068217462e-08
+N#CC(Cl)(Cl)Cl,0.0025494953151792288
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.9999515414237976
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,4.0750971932838886e-14
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],7.54302504901716e-07
+CC1CCc2c(C1)occ2C,1.1229648322341745e-08
+O=C1CCC(=O)O1,2.119343989193112e-08
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,6.543500741251762e-10
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.36740419268608093
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1.0
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,9.219298817697563e-07
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,2.997350700972845e-10
+CCOP(=O)(SC(CC)C)SC(CC)C,7.591866690859206e-09
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.0015783209819346666
+Clc1ccc(c(c1)C(=O)O)O,2.3022321329335682e-05
+CCCCOCCOCCSC#N,1.850469466546656e-08
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,1.2238588472464253e-15
+NC1CCCCC1,7.059482443061427e-10
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,1.0
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,3.9914750232128426e-05
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,1.1814452411176846e-12
+CCCCCCCCCCCl,2.8722151910187677e-06
+O=c1nc[nH]c2c1cccc2,5.47154961338947e-08
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.0011170092038810253
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,1.0
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,1.0
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9999998211860657
+OC(=O)c1sccc1S(=O)(=O)N,1.0660932698176975e-16
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1.0
+NC(=O)Nc1ccc(cc1)Br,4.9564626181108906e-08
+O=Cc1ccc(c(c1)Cl)Cl,6.637677643084317e-07
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.0029023773968219757
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.07856957614421844
+CNc1ccc2c(c1N)cccn2,0.5697153210639954
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,1.0
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,4.169406747678295e-05
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,1.4130003779260245e-16
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.860920250415802
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9507123231887817
+COC(=O)C1=C(CC)C(OC1=O)C,0.0020288012456148863
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.997246265411377
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.36706316471099854
+COC(=O)c1ccc(cc1)C(=O)OC,1.5089843145688064e-05
+OC(=O)CCCc1c[nH]c2c1cccc2,3.249156407036935e-06
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,5.3305649824753054e-12
+Cc1c(N)ccc(c1C)N,0.919178307056427
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,1.0
+CCN1CCN=N1,1.0
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,1.387683710163401e-07
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,1.0
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.999952495098114
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8186810612678528
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,1.0
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.9984696507453918
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,4.6161614591255784e-05
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,1.0
+NCCS(=O)(=O)O,5.074078899269807e-07
+Nc1ccc2c(c1)c1ccccc1cc2,0.9999935030937195
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.19971713423728943
+CCOc1cccc(c1)N,0.5429419279098511
+O=NN(c1ccccc1)C,5.3816977015230805e-05
+OOC(C)(C)C,0.9999998211860657
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,1.0
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.906737208366394
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.999712347984314
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,1.487747596229383e-07
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.9999678730964661
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,7.669884396178874e-16
+CCCCCCCCCCCC(=O)NCCO,1.805114813180353e-08
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.9357835054397583
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.9319478273391724
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.9999972581863403
+[N-]=[N+]=NCCC(C(=O)O)N,1.0
+ClCCOC/C(=C\Cl)/Cl,1.0
+BrCC(=O)NCc1ccccc1,0.4496729373931885
+SC(=N/C=C/N=C(S)S)S,0.01897754706442356
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9999963641166687
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,1.0
+Cn1c(N)nc2c1cc1ccncc1n2,0.3100498616695404
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.9999205470085144
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.00022132699086796492
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.9979562759399414
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+OCCOCCOCC,0.00012188917025923729
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,3.304339039200433e-20
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,4.9096463044406846e-05
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,1.9198902992574596e-14
+ClCCN(C)C,0.9780591726303101
+BrC[C@H](c1ccccc1)Br,0.9999996423721313
+Nc1ccc2c(c1)scn2,0.9967950582504272
+CC(C(=O)O)N,0.001509103225544095
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,1.0
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1.0
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,3.9470049547558116e-23
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,1.575205885728792e-07
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,1.0
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.6140674352645874
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.5882010459899902
+CC(=O)C1(CCNCC1)c1ccccc1,1.0959548824018839e-08
+ONc1nc(N)nc2c1[nH]cn2,1.0
+COC(=O)c1ccccc1CS(=O)(=O)N,9.933135152095929e-05
+CC1CCN(CC1)N=O,1.0
+Oc1ccc(c(c1)O)C(=O)O,1.8979915239469847e-07
+[N-]=[N+]=NCCc1ccccc1,0.9999998211860657
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,5.701796544599347e-05
+S(Cc1ccccc1)Cc1ccccc1,1.5207944670692086e-05
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,1.0
+CC(CC(C)(C)C)(CC(C)(C)C)S,2.278583679071744e-06
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.9999950528144836
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.999792218208313
+NC(=O)C[C@H]1CO1,0.9999332427978516
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.9997842907905579
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.999981701374054
+c1ccc(cc1)N=Nc1ccccc1,0.40182599425315857
+N#Cc1ccc(cc1)[C@]1(C)OC1,1.0
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9999957084655762
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,2.8394413931209783e-08
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],2.403061527544992e-09
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.03753046691417694
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9966521263122559
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,1.0
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,1.0
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,5.424690918687247e-09
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,4.854490698313896e-10
+COc1ccccc1N,0.9999970197677612
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.9575982093811035
+CCCCCCCCCCCCCCCCCC(=O)O,2.992175396343555e-09
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.9999406933784485
+c1ccc(cc1)/N=N/c1ccccc1,0.40182599425315857
+OCNC(=O)CCl,0.9999122619628906
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,1.0
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,2.0239239104102857e-11
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,1.0
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.9999992251396179
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.9999992251396179
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.0013787072384729981
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,1.8147650848732155e-07
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.21717068552970886
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],1.0
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],1.0
+OP(O)O,0.004125730600208044
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9999980926513672
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,1.3142151256140266e-10
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,2.8799753363774284e-15
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,4.286772326000943e-11
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,6.702016980852932e-05
+N=C(Nc1ccccc1)Nc1ccccc1,0.0019801806192845106
+OC(=O)c1ccccc1C,6.107895700324661e-08
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,1.0
+C1CCC2C(C1)c1ccccc1CC2,3.7069116842758376e-06
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,5.719462592423952e-08
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.9999998211860657
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+Clc1cccc(c1)NC(=O)N(C)C,0.0001536313066026196
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,1.0
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9999791383743286
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,8.924650529706923e-08
+CC1=C(C)C(=O)C(=C(C1=O)C)C,1.2587661331053823e-05
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,6.938163096492644e-06
+O=Cc1ccccc1Cl,1.0135632777519277e-08
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.9999998807907104
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,1.3561650066828967e-11
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],1.0
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9999901056289673
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.9999986886978149
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,1.0
+CCNC(=S)NCC,0.08105562627315521
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.0007003437494859099
+OC(=O)C1(N)CCCC1,2.938728869139595e-07
+Clc1ccc(cc1)CC[C@@H]1OC1,0.9999998211860657
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,7.741894236801272e-09
+CC[C@H]([N+](=O)[O-])[C@H](O)C,1.5740408798592398e-07
+CCc1ccc(nc1)C(F)(F)F,2.3958432460169377e-10
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,1.769454049428687e-12
+CCC(OS(=O)(=O)C)C,0.9999998807907104
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,3.8008899139185814e-08
+CC(C(=O)Nc1ccccc1)Br,0.9999968409538269
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,1.0
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.9999098777770996
+CC1CCCO1,0.0003861413279082626
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,3.8446347616627463e-07
+Nc1c2CCCCc2nc2c1cccc2,1.0
+CC(CC(=O)C)C,2.2851052647321346e-11
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,2.5656470725721192e-08
+OC(=O)CCc1ccccc1,3.6863596051261993e-06
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,9.32275166692421e-16
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9999963641166687
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,2.9428290360122844e-10
+CC(C(=O)NCc1ccc(cc1)Cl)Br,1.0
+CCCCCCCCn1sccc1=O,1.2274142591195414e-06
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,9.002690057968721e-05
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,8.844437502375513e-07
+BrC[C@H](Br)C,0.9999994039535522
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,1.7240802208107198e-06
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1.0
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],1.0
+OC(=O)CCc1c[nH]c2c1cccc2,3.611825741245411e-05
+CCN(c1ccc(cc1)[N+]#N)CC,1.0
+COc1cc(ccc1O)C[C@H]1CO1,0.9999998211860657
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.857249915599823
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,2.288406449224567e-06
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],1.0
+COc1cc(F)ccc1[N+](=O)[O-],0.9999945759773254
+OC(=O)COc1ccc(cc1Cl)Cl,1.88090467645452e-07
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,4.1017821084121664e-11
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,1.0
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,1.8901993859010702e-10
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,1.0
+Oc1ccccc1O,0.9311647415161133
+ClC(=O)c1ccccc1Cl,0.9999998211860657
+BrC[C@H]1CO1,1.0
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,5.021759896806088e-09
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,1.0
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,2.4716648727718393e-09
+O=NN(C(=O)N)C[Si](C)(C)C,0.9910389184951782
+Oc1cccc2c1cccc2,0.49329495429992676
+COc1nsc2c1cccc2OC[C@H]1CO1,1.0
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,1.0
+Clc1ccc(cc1)C(=O)Cl,1.0
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,9.336261418916442e-15
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,1.0
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.9999998211860657
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,1.0
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,1.2606502650669427e-06
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,1.0
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,1.0
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,2.0172729995769287e-14
+O=Cc1ccc2-c1cocc2COC(=O)C,1.0
+CSCNc1ccccc1C(=O)C,0.0016973294550552964
+CC1(OC1)c1ccc(cc1)Br,0.8511945605278015
+N=c1nc[nH][nH]1,0.005865446757525206
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6403098106384277
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.7983783483505249
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.9999992251396179
+Cc1c2ccccc2c(c2c1cccc2)C,0.9979896545410156
+CCCCCCCCCCCCCCCCCC(=O)N,1.3858965530744172e-08
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,4.949127401232545e-07
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,1.9255993860252483e-15
+CCC(=O)O,0.0001105515839299187
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.39873313903808594
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1.0
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9999998807907104
+O=CNc1ccccc1,0.9997733235359192
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.17052191495895386
+O=C1NOCC1(C)C,0.20481595396995544
+O=c1cc(n(n1c1ccccc1)C)C,1.8121200540122118e-08
+O=C/C=C\c1ccco1,3.652324494396453e-06
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.9995070695877075
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.5933860540390015
+NC(C(=O)O)CSCCCl,1.0
+COC(=O)C(=C)C#N,4.181026705407653e-11
+C/C(=N\O)/C(=O)C,1.9032024738407927e-06
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,1.0
+ONc1ccccc1C,0.9912395477294922
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.9915984272956848
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.9997236132621765
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,1.2886759437336082e-09
+OCc1cccc(c1)[N+](=O)[O-],7.122035299289564e-07
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,3.949820939069815e-12
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,7.01157393864088e-13
+COc1ccc(cc1N)N,1.0
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,9.471013973083586e-10
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,1.0
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,2.4241302298833034e-08
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.9999980926513672
+OCCNC(=O)N(CCCl)N=O,1.0
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.0003351649211253971
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,1.0
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.9966036081314087
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.9999998211860657
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9838818311691284
+NC(C(=O)O)CSC(C(Br)Br)(F)F,1.003867873805575e-05
+C1OCCO1,0.2551460862159729
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,1.1981018133155885e-07
+CCCCCCc1ccc(cc1O)O,2.672586318919201e-10
+Nc1ccc(c(c1)N)C,1.0
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,1.0
+Cc1cccc2c1cc1ccccc1c2,0.9977940320968628
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,3.9045270796720107e-17
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.999703586101532
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.9999998211860657
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.6015195846557617
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.41881251335144043
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,1.3827983025294088e-07
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.009581653401255608
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.9999270439147949
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,2.5022368621563373e-09
+CCN(C(=O)Cc1ccccc1)CC,5.273415695228323e-07
+S=c1scc(s1)c1ccccc1,0.00015927787171676755
+COc1nncc2c1ccnc2,5.15605136711117e-12
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,5.548246391940022e-14
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.40299296379089355
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.6345211267471313
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,1.269489179576977e-12
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,2.3014007599629998e-17
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.8517972826957703
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.9999982118606567
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.011024887673556805
+ClC#N,0.013547809794545174
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,8.380193605717068e-08
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,1.1538810440470115e-06
+CC=O,0.0190433319658041
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9999974966049194
+Oc1cccc(c1)N(C)C,0.8052522540092468
+CC(C(=O)NCc1ccccc1)Br,1.0
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.9999998211860657
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,1.900464594722928e-12
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.008879275992512703
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.8755625486373901
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,5.739566401362708e-14
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.01973053067922592
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.5918067693710327
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9987258911132812
+CCCCOC[C@H]1CO1,0.649811863899231
+COc1ccc(cc1N)NOS(=O)(=O)O,1.0
+CCOCCOC(=O)C,0.006013459526002407
+Clc1ccc2c(c1)oc1c2cccc1,0.09205122292041779
+ClCc1ccc(cc1)C(F)(F)F,2.8568198104039766e-05
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.011024887673556805
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.9999688267707825
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,1.0041580067454703e-10
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.8938270807266235
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9991620779037476
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,9.65091721816247e-13
+O[C@@H](c1ccccc1)[C@H](N)C,2.995667713889816e-08
+O1CCOCCOCCOCCOCCOCCOCC1,0.20411209762096405
+c1ccc(cc1)Oc1ccccc1,0.02322063222527504
+Cn1c(O)nc(nc1=O)NC(C)(C)C,9.462304273455402e-10
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,1.0
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.999997615814209
+N#CCc1cn(c2c1cccc2)N=O,0.9998466372489929
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9190481305122375
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,1.00459769846519e-15
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.40046995878219604
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,1.7427937848424335e-07
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9999992251396179
+CC1=Nc2c(C1(C)C)cccc2,0.023368719965219498
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,5.210872768657282e-05
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.9999968409538269
+CC(N(C(C)C)N)C,0.9970091581344604
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.9999845623970032
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.20624777674674988
+COc1ccc(cc1)CCC1OC1,1.0
+CCNC(=N)N([N+](=O)[O-])N=O,0.9331148862838745
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,1.957379299876577e-13
+ONc1ccc(cc1)N=Nc1ccccc1,0.9999986886978149
+C1CCC(CC1)NC1CCCCC1,3.8546886571566574e-06
+ClC(=O)c1ccccc1C(=O)Cl,0.9999595880508423
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,7.786408673382539e-07
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,1.0
+NC(=O)N=NC(=O)N,0.5067757368087769
+CCOc1ccccc1OCC1CNCCO1,2.2865799920168683e-08
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1.0
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1.0
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,2.1131818536076875e-28
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.9995508193969727
+CCSCC[C@@H](C(=O)O)N,2.2239222744246945e-05
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.37798646092414856
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,1.0
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.7998400926589966
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
+COS(=O)(=O)C(F)(F)F,0.9999063611030579
+COc1ccc(cc1N)[N+](=O)[O-],1.0
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],8.652340329717845e-05
+ClCCCC(=O)N(c1snc2c1cccc2)CC,1.8451022697263397e-05
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,1.0
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,3.608101178542711e-05
+ClC(=O)c1cccc(c1)[N+](=O)[O-],1.0
+CCN(C#N)N=O,0.9999445080757141
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.212691992521286
+CCN(CCCC(=O)O)N=O,1.0
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.9999977946281433
+OCCNC(=O)[C@H](O)C,0.9999995231628418
+CSc1nnc(c(=O)n1N)C(C)(C)C,2.7401536595306197e-09
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],1.0
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,6.520516393493381e-08
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.00035244779428467155
+OC(=O)CCC(=O)CC(=O)C,1.5891495476309803e-13
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,1.0
+O=C1CCCO1,2.2266384291924624e-08
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1.0
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9999520182609558
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3[N@@]4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,1.536746928651456e-28
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,2.5442764339800306e-08
+N#N=NCCC(c1ccccc1)c1ccccc1,0.9999998807907104
+C[C@H]1CO1,0.9979904294013977
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,6.277864339487849e-10
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,1.0
+CCN=NC(OO)(C)C,1.0
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.9083380699157715
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9999859929084778
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.9995659589767456
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,7.814973889369542e-34
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,8.179489460446909e-18
+C=CCOC(=O)C=C,3.574770289560547e-06
+C/C=C/C=C/C=O,0.9999930262565613
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,1.0
+O=Cc1ccccc1[N+](=O)[O-],0.9755228757858276
+OCCN(N=O)CCO,1.0
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,1.0
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,1.8394532858706514e-12
+CNCC(=O)O,1.5463944791349604e-08
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,4.0642332910601884e-19
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.9997579455375671
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.5052522420883179
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,1.0
+OCC12OOC2(C)c2c(O1)cccc2,0.9984747171401978
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,1.0
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.34240952134132385
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,3.397866210619327e-09
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.999240517616272
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.9999954104423523
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.2463119775056839
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.009719503112137318
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,4.0110102739188136e-11
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.9998634457588196
+ClCC(=O)OC(C)C,0.0002929593902081251
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],1.0
+[O-][N+](=O)NC(=N)NC,1.0
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.0003317216469440609
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.011024887673556805
+ClC(=O)c1ccc(cc1)C,0.9999538660049438
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.007897044532001019
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,4.2434754529730465e-16
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,1.0
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,1.0
+C=CCN=C=S,0.18198928236961365
+CCN=NO,0.9999998211860657
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,1.0316500720364274e-07
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.00010812342952704057
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9999998807907104
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,1.6041448768280842e-13
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,2.6159818755644437e-10
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.9999990463256836
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,2.0834076651377043e-12
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.9999996423721313
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.000842191104311496
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.99993497133255
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9999992251396179
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,4.400377656565979e-05
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,1.0
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,8.74522538651945e-06
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9999990463256836
+Clc1ccc(c(c1)C)O,0.14278608560562134
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,1.7087623538358798e-09
+CCC(=O)NCc1ccccc1,0.4894775450229645
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.765778660774231
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.9999980926513672
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1.0
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.9990490078926086
+O=Nc1ccc2c(c1)cccc2,0.9999996423721313
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.1760537475347519
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.000524388684425503
+OCC(CO)(CO)CO,1.29778543467296e-08
+CCn1c2ccc(cc2c2c1cccc2)N,1.0
+Clc1ccc(c(c1)N)O,0.037225522100925446
+CCNc1ccccc1,0.15917375683784485
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.9999850988388062
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.9999998211860657
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,1.016086207528133e-05
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.002487652935087681
+C1CC[C@H]2[C@@H](C1)O2,3.0237235932872863e-06
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,2.5589586005736464e-09
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.9999997019767761
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,1.0
+OCC(Cl)(Cl)Cl,0.0013255190569907427
+OC[C@H]1CCCO1,1.0325764378649183e-05
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,1.6883554016661195e-12
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,1.0
+C/C=C/C=O,0.9999983906745911
+CC(OC)CCO,1.3931260127719725e-06
+OCC#CCO,0.30100017786026
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,1.1227931259113084e-16
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,5.228738449158943e-13
+O=NN1CCOCC1,0.9999737739562988
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],1.0
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.9999844431877136
+c1cnc2c(c1)C1OC1CC2,0.19738249480724335
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,6.2174191154226584e-18
+S=C1SSC2=NCCN12,0.5826989412307739
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,2.5307551609898837e-09
+Oc1cc2ccccc2c(c1)O,0.6722038984298706
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,1.0
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,1.467706596258722e-07
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.9619326591491699
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,7.718810957157984e-05
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,8.893346614691211e-10
+O=CN(N=O)C,1.0
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9805919528007507
+OC(=O)C(Cc1ccc(cc1)O)N,1.4942256143513077e-07
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1.0
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.9999992251396179
+ClC([N+](=O)[O-])Cl,0.6135161519050598
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,6.7927566349546e-11
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.5067412257194519
+CC(=O)Nc1cnc2c(c1)cccc2,0.9962120056152344
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1.0
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,8.096278367782789e-14
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,1.0
+C[N+]1(C)CCOCC1.Cl,1.1565762569887283e-08
+C/N=N/O,0.9999998807907104
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9989202618598938
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.005874100606888533
+CC1CCCC2(C1(O)CCCC2)C,9.781614629389423e-09
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.9998906254768372
+Cc1cccc2c1cccc2,0.0013155958149582148
+Cc1ccc(cc1)/N=N/N(C)C,0.9999544024467468
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,3.8008899139185814e-08
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.0032620057463645935
+CCOC(=O)C(C(=O)C)Cl,4.922898755310712e-10
+OCNC(=O)NCO,5.0468126573832706e-05
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,1.0
+O=C/C(=C\c1ccccc1)/C,4.740349140774924e-06
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.999995231628418
+NC(=O)N,0.07076511532068253
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.5447961688041687
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.00014550176274497062
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,1.0
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.0020288012456148863
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1.0
+ON1C(C)(C)CCCC1(C)C,0.5739412307739258
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,1.0
+BrCc1ccccc1,2.7261205559625523e-07
+O=C1NC(=O)c2c1cccc2,0.08865024149417877
+ClC1=C(Cl)C(=O)OC1,1.0
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.0058454424142837524
+CN=NO,0.9999998807907104
+Cc1ccc2c(c1)cccc2,0.40727686882019043
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.9999998211860657
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.9756017923355103
+CCCC(C(=O)O)CCC,4.6249862606373426e-08
+O=Cc1cccc2c1nccc2,7.55944347474724e-05
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.9999852180480957
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,6.858678825011062e-16
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.9998307228088379
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.5421580076217651
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,1.0
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,8.006781002101171e-12
+ON(c1ccc(cc1)Br)C(=O)C,2.8693207241303753e-06
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.9999982714653015
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.9999987483024597
+FC(=C(F)F)F,0.006051815114915371
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.00011789725249400362
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,5.661589057126548e-06
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1.0
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,1.0
+Clc1ccccc1C(F)(F)F,2.0565271086070425e-07
+Clc1ccnc2c1cccc2,0.8458231687545776
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,1.1642445088000386e-06
+CCCOc1ccc(cc1N)N,0.9999153017997742
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,2.3962009812342547e-14
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.9219282269477844
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,2.1927537893474914e-15
+Sc1nc2c(s1)cccc2,6.156496112907917e-08
+CCCCCN(CCCC)N=O,0.9999837875366211
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,1.0
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,1.0
+Clc1cc(N)c(c(n1)C(=O)O)Cl,2.844322000150612e-10
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9998626708984375
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],1.0
+NCCCN(CC)CC,6.657820961208927e-09
+NCC[C@H](N)C,9.940189981078127e-15
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.9999950528144836
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.0004170043393969536
+C1CCC[C@H]2[C@@H](CC1)O2,3.0237235932872863e-06
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,9.124988958886249e-11
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.709504246711731
+OC(=O)C(CC(=O)c1ccccc1N)N,3.3031387403070767e-08
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,1.9637301562624998e-08
+NC(=S)Nc1cccc2c1cccc2,0.4053991734981537
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.9431711435317993
+Cc1cc(O)nc(n1)S,2.3207893939947155e-12
+COc1cc(ccc1OC)C[C@H]1CO1,1.0
+OC(=O)C(Cl)(Cl)Cl.[Na+],4.522387087035895e-08
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9999925494194031
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9999666213989258
+NCCCNCCCN,8.361269578927022e-07
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,1.1757375659726677e-06
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,8.096456838302402e-09
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,9.06231980479788e-06
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.999516487121582
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.8002292513847351
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,2.420456196583487e-12
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,1.2294919997657416e-06
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,1.0
+FC(C(F)(F)F)F,1.0649997648215503e-06
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,3.970908985573881e-17
+CCNC(=O)CC[C@@H](C(=O)O)N,1.3038478741123072e-08
+CCOCCOCC,0.00016978246276266873
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,5.884138228745561e-12
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,8.484759916882467e-08
+NC(C(=O)NCC(=O)O)CS,0.9999993443489075
+C=COC(=O)C=C,3.5035011336503885e-08
+OCCP(=O)(O)O,6.458965799538419e-06
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,1.0
+N#N=NC(c1ccccc1)c1ccccc1,0.9981815218925476
+OC(=O)CP(=O)(O)C,2.7490335696711554e-07
+[O-][N+](=O)NC(=N)N(N=O)CCCC,1.0
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9999946355819702
+[O-][N+](=C1CCCC1)[O-],0.800149142742157
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.0014310473343357444
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.07856957614421844
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,1.0
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,1.0
+c1ccc2c(c1)cncc2,0.9957607388496399
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.00028494856087490916
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.4169548451900482
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,1.6774161226695838e-10
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,7.696451055173913e-17
+CCc1ccc(cc1)[N+](=O)[O-],0.724590539932251
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,1.0
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.22542890906333923
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,9.553690283325977e-09
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.7839524149894714
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,1.4065291256183405e-14
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,1.0
+CCCSC(=O)Cl,1.1830375568067097e-09
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7669380903244019
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.0028266864828765392
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.9935407638549805
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.8000012636184692
+OC(=O)/C=C/C(=O)O,7.873775520472748e-10
+COC(=O)C12OC2(C)C(OC1=O)C,1.0
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,2.0466063739565943e-12
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.9999743700027466
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.9997013211250305
+CCCCc1cc(C)cc(c1O)CCCC,5.7424736077393845e-09
+ClCC(=O)N(c1snc2c1cccc2)C,0.9985373616218567
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.9908269047737122
+N1CCN(CC1)c1ccccc1,0.016860513016581535
+OCc1ccc(cc1)NNC(=O)C,0.9999842643737793
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,4.91190962973469e-20
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.19995445013046265
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1.0
+O=C1N(C)CCCN1C,1.2660711945500225e-05
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.2677675783634186
+ClCCSCc1ccccc1,0.6152728199958801
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,1.0
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],1.0
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.00010214194480795413
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,2.275674223714552e-12
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,3.7623119815985775e-14
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,1.0
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,2.0239239104102857e-11
+CCOc1ccc(cc1)NO,0.757000207901001
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,1.3938145342756725e-12
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,2.1583532885988263e-27
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,7.025413424344151e-07
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9999993443489075
+Oc1c2ccccc2nc2c1cccc2,0.43318599462509155
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,1.0
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.9999743700027466
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,8.768884869527621e-14
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.9999364018440247
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.007128135766834021
+ONc1cc2c([nH]1)cccc2,0.9988614916801453
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,5.926407876939765e-20
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,3.352051573595957e-14
+O=NN(C(=O)c1ccccc1)C,0.9999954104423523
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.046456173062324524
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.6460543870925903
+O=Cc1ccc2c(c1)OCO2,8.607083934464299e-10
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.00026233430253341794
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,1.0
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.0006135737639851868
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.4693494439125061
+CNc1nc2c(n1C)ccc1c2cccn1,1.0
+Sc1ccc(cc1)[N+](=O)[O-],0.8916734457015991
+Cc1cccc(c1N)C,0.9998875856399536
+CCCCCOC(=O)C=C,2.2908233063322417e-14
+Nc1ccccc1SCSc1ccccc1N,1.0
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.9999997019767761
+ClCCN[P@]1(=O)OCCCN1CCCl,1.0
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],3.475777608438757e-13
+CCOC(=O)CNC(=O)CBr,0.001798468641936779
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.2502802610397339
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,2.178352463688693e-11
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,1.0392712564194012e-21
+Brc1ccccc1c1ccccc1,0.1035669595003128
+CC(=O)OCc1ccco1,8.483404235448688e-05
+C1C/C=C/CCC2C(CC/C=C\1)O2,1.467706596258722e-07
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.9665495753288269
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,2.185623036721207e-11
+CC(N)(C)C,0.0024762838147580624
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],1.0
+O=Cc1cccnc1,3.212618393533262e-09
+Cc1cccc2c1nccc2,0.9999257326126099
+N#CCc1ccccc1[N+](=O)[O-],0.0006015667458996177
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,2.299171938604582e-21
+CCON(C(=O)c1ccccc1)OC(=O)C,1.0
+ClCc1ccc(cc1)C#N,0.008004216477274895
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,1.0
+[O-][N+](=O)c1ccccc1Cl,0.5682699084281921
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.09135768562555313
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,1.0
+O=C(C(=C)C)OCCOC(=O)C(=C)C,1.7421732991351746e-05
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.11086618900299072
+Oc1ccccc1,3.172135620843619e-05
+O=NN(C(=O)N)CCCC(=O)O,1.0
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,1.0
+FC(C(F)(F)F)(Cl)F,1.4252913516088483e-08
+CC(=O)NC(C(=O)O)CSCCCl,1.0
+CNC(=O)Oc1ccccc1OC(C)C,1.1878343997295815e-07
diff --git a/crossvalidations/mp2d/tensorflow/pred.rf.v4_ext.csv b/crossvalidations/mp2d/tensorflow/pred.rf.v4_ext.csv
new file mode 100644
index 0000000..9177946
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/pred.rf.v4_ext.csv
@@ -0,0 +1,8310 @@
+name,pred
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.2541524021298715
+O=S1(=O)CC=CC1,0.23359181523129569
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.8067560416216252
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.7792890387715146
+C1CCCC2C(CC1)O2,0.17770135407400187
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.8066286561735837
+N#[N+]c1nc[nH]c1C(=O)N,0.30480519130341377
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.7752932168536099
+NC(=O)Nc1cccc2c1nccc2,0.45076876880119393
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.37319223354590486
+O=C(C1(C)OC1)NCc1ccccc1,0.5899431047854279
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.16584573447962486
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.6313019649910893
+CCCCCOc1ccc(cc1)N=O,0.4066144474125417
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7532617496091093
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.6056458101109465
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.7758663395064427
+C=CC(=O)OCCCCOC(=O)C=C,0.1445857361377641
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.696917229389447
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.903886957643754
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.7988477626389558
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.5503394021410412
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.3929345624643405
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.15118738782646907
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.789064144002233
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.5091659295049571
+OC(=O)[C@@H](CCl)Cl,0.4132974164070129
+N#Cc1ccc2c(c1)nc(n2C)N,0.7300317759330873
+Cc1c(C)cccc1N,0.6247215914414015
+Nc1cccc2c1cccc2,0.7264907892252618
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7826877871171023
+O=CCCN(C(=O)OCC)N=O,0.90766755783787
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.7507325960590184
+CCN1CCNC(=O)C1=O,0.30114927814847614
+CC1=NNC(=O)N(C1)N,0.26467133082020144
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8606312510356218
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.8640244489330743
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9398738804745825
+BrCc1cccc(c1)[N+](=O)[O-],0.7643195962335181
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.3074524668887848
+Brc1cc2cccnc2c(c1)C(=O)O,0.38996258882516943
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.2719395489186738
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.7865080762974902
+CCOC(=O)CCl,0.26381104166549507
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.8100147910172623
+CN=[N+](C)[O-],0.23594689945832428
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.38127617674191033
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.7825846375643847
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.14280296716017485
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.6987101883955084
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.37982809111165483
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.7371562084512663
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.22426750949988425
+ClC(Cl)(Cl)Cl,0.23675542217544032
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.13670051814762288
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0.33754588352840365
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7701903405334133
+ClC/C=C/CCl,0.44558380050168345
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.6316320898877018
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.5576793747176861
+O1CCOCC1,0.22465147009006722
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.22862796594299237
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.8245052207186714
+COc1nc(C)nc(n1)N,0.16335644273560493
+COC(C(Cl)Cl)(F)F,0.2397130419001808
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.3430239038567681
+Cc1ccc(c(c1)O)N,0.599983033131187
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.16483951822154208
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.36139771913846824
+CCCC(=O)c1cc(O)c(cc1O)O,0.25147922063830963
+CCCCCCC[C@@H]1CCC(=O)O1,0.15496615547364878
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.27844413869511453
+ONc1nc2c(n1C)ccc1c2cccn1,0.7695590475298669
+Oc1nnc(c(n1)O)C,0.2331763796378484
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.13123113482417734
+CC(=O)OO,0.29181980148675574
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.3883222500665456
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.3558924568711235
+Cc1ccc(cc1)C[C@@H]1OC1,0.8044909640729647
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6380949299278253
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.25314864298796486
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.15143087323998508
+CC1=CC(=O)c2c(C1=O)cccc2O,0.40296873012222484
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.8152482569061301
+NC1=N[C@@H](CS1)C(=O)O,0.1924640402628072
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.40326743373417046
+O1C[C@@H]1COc1ccccc1,0.8059395167612861
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.14566178605631885
+NCCCN1CCN(CC1)CCCN,0.2099373191564433
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.19315360599728446
+C[N+](Cc1ccccc1)(C)C.Cl,0.25685744161193935
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.1468941155660569
+O=NN1CC(=O)NC1=O,0.8750048378269324
+CNC=O,0.24360927500637442
+Nc1nc2c(n1C)ccc1c2ccnc1,0.7352186063358533
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.7445837182616869
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.7214488855085702
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.12889145490090556
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.4965337557782177
+C=CCN(CC=C)CC=C,0.2397209184950122
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.2928862537659784
+O=C/C=C(/CCC=C(C)C)\C,0.3632724586171766
+CCCCCCCCCCCCS,0.1657496612378421
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8134898957930136
+[O-][N+](=O)c1cccc(c1N)O,0.7446642276227863
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.7829871053053796
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.14554714320143292
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.7411393062433552
+CCC=O,0.2484923246863057
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.2717594244779639
+CCCCCCCCCC,0.16384609335938452
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.7526343004479992
+CCc1ccccc1,0.2623809438359969
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.843795915369045
+BrCC(=O)Nc1ccccc1,0.3258139546013708
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.12173730023324016
+CNCCCC(=O)O,0.14680381369071735
+CC(=O)[C@H](O)C,0.2565918246869071
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7947873467199463
+CC(OC[C@@H]1OC1)(C)C,0.8106731815514794
+CCCCC=C,0.19469696931892772
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.21163177082482032
+COC(CC(=O)C)(C)C,0.3946335741823777
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.9360013262148122
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.44494833768211406
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.2823892023052766
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.6864780959192941
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.7354981760634333
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.6405638388078626
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.39584356020864214
+CCN(N=O)C=O,0.8970757549826809
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.2176151937100781
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.23811576957530856
+CC(=O)c1ccc[nH]1,0.19820422881054067
+NC(=O)c1ccccc1C,0.24209020579908752
+COc1nsc2c1cc(N)cc2,0.7296986246425707
+Cc1ccccc1Br,0.20026538929580798
+C1CCCN1,0.23845278103428502
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.37276843334058746
+O=NN(C(=O)N)CC(=O)O,0.7346118153839047
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.5053528230002604
+Brc1ccccc1,0.16162692913652427
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.4070656790868282
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.7601486568285202
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.7764323510870698
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.8387021545701174
+CCCOO,0.442107153809783
+CC1(CO1)C1CO1,0.7255547022114988
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.7740612312309918
+Ic1cc2cccnc2c(c1)C(=O)O,0.42896195158020795
+CONC(=O)Nc1ccc(cc1)Br,0.11733963764392503
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.1906727898395539
+N#Cc1ccc(cc1)[N+](=O)[O-],0.7951438980227707
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.7259423172065635
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.2281619695457404
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.14847843616019588
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.7653795262308946
+COC(=O)CCC(=O)OC,0.24392714105571248
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.5744534847113724
+C[C@@H]1CC[C@H](CC1)C(C)C,0.19041886278086642
+CCCN(N=O)CCC,0.8502339914465572
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.78335947165218
+Fc1ccc2c(n1)cccc2,0.5731659528084724
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7140430832311158
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.8389087853988825
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.7698764522820891
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.7227997861502051
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.19154761124528663
+N#C/C(=C(/C#N)\N)/N,0.23112242528476695
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.1946460225869436
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.8259660741827022
+COc1cc(Cl)c(cc1Cl)OC,0.17326661276144253
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.1875706010168452
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.791772691814125
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.845312233461222
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.8516681694784036
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.8746671748702178
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.23216622314470153
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7893693162061115
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.3767836230918862
+O/N=C/1\C=C/C(=N/O)/C=C1,0.3355986913585451
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.25889337748196
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.7972946237088917
+ClCC[N+](C)(C)C,0.4894995995339515
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.5121934604030605
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.7956445300207883
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8580317701185389
+C1CC=C2C(C1)CCc1c2cccc1,0.2562117399969642
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.7484774622148916
+ClCc1ccccn1,0.19517150865605945
+ClCC(=C)Br,0.39757294005989674
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.5316648977455851
+COCCOCCOCCOC,0.22383245713596886
+c1ccc2c(c1)c(OCC1CO1)ns2,0.8235254893023841
+Brc1ccc(cc1)[N+](=O)[O-],0.7772228424767621
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.7883922560156079
+Oc1ccc(cc1N)S(=O)(=O)O,0.4861798046222198
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.15299745940666018
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.8248708188786815
+C1CCC2(CO1)CO2,0.25362410253517226
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.23685422803971637
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.4257133138000621
+OC/C=C/Cl,0.518108513682843
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.4131296641797142
+CCCCCCCCCCSCn1cc[n+](c1)C,0.2682484117973418
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.3667263878772897
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.17668690773610626
+NC(C(=O)OC(C)(C)C)CN=N#N,0.9434490831098523
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8024864669861369
+CCCCCCCCCCCC=C,0.16500405809533647
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.792979421800831
+Cc1ccc(cc1)N(C(=O)C)O,0.5498377307458168
+CC(=O)n1cncc1,0.22998027139743019
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8192683587484987
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.7439398917232839
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7794728853852595
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.2526102410459842
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.27372261652808383
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.7790459450842862
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.326064167727123
+ICC[C@@H]1OC[C@H](O1)CO,0.6513299201876369
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.8328363693456098
+N#CC(=C(C#N)C#N)C#N,0.23892009602170172
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.2929130507092092
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.8344366636062174
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9152085289315801
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.8784775754779084
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.7601013238794128
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.27376625685152595
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.11593544906666592
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.45960650394952635
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4727057443102176
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8130359053841063
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.6274343946412209
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.8048827164083485
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7606510629939606
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.8320883662543893
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7454209306857786
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.6868850836192611
+OC(=O)c1cccc2c1snn2,0.28275200884204055
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.128397359539169
+NC(=O)NNC(=O)N,0.36518607636920275
+Nc1ccc2c(-c3ccccc3C2)c1,0.7637870781900326
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.7499676613715993
+CCOc1ccc2c(c1)sc(n2)N,0.39113371927380014
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.32737506012845735
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.922327493454364
+CN1CN(C)CSC1=S,0.22886997276001597
+O=Nc1ccc(cc1)Nc1ccccc1,0.707059399339313
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.47742535285086846
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7708683242912637
+OC(=O)c1ccc(c2c1snn2)O,0.1864805565701661
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.16374263454883342
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.5157277245003221
+CCc1cnccn1,0.1709116875503241
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8060538553889366
+NCC1(C)CC(N)CC(C1)(C)C,0.1848609912211951
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.20149560740279035
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.4971583188931363
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.16578918202037232
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.2359874622274731
+OCCN1CCNCC1,0.25052133000055754
+COC(=O)c1ccccc1C(=O)OC,0.1769869159163317
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.19992439001413595
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.8044639381074853
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.7694856489310721
+BrCCCCBr,0.6954823846288555
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6124503964413928
+O/N=C/C=N/O,0.24024852418609607
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.3460094103291848
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.6935983636561521
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.18206168864563135
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.7985905670431347
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.5121087192383778
+N#CCCC#N,0.2257288229748768
+Nc1nc2-c3cccnc3CCc2s1,0.37861142664600544
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7970790220129901
+CC(C(CCl)Br)Br,0.6846370811044966
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.11463801948066243
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.14236518124746256
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6520777935261561
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.23297898406823317
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.36856875878543793
+ClCc1c2ccccc2c(c2c1cccc2)C,0.7089877928072584
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.47713303387271444
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.14157235686110947
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.4087265200515816
+ClC[Si](C=C)(C)C,0.2548236426469924
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.5780743928413058
+O=c1[nH]cc(cc1N)c1ccncc1,0.5864796893611548
+CCNS(=O)(=O)c1ccccc1C,0.22335341934093944
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.38539912851106395
+CSC(/C=N/O)(C)C,0.23784495078809625
+Nc1cccc2c1nc1CCCCc1c2,0.682513265408853
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.2951062258649871
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.6114341808472328
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8021256763753005
+COc1c2ccc(cc2nc2c1cco2)O,0.5376050385927555
+CC(=O)Nc1ccnc2c1cccc2,0.567768045618632
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.43979611708388067
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7794915681239905
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.7525406866778945
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.11615583940224447
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.1707092937395958
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.5396728344466887
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.7180449146178737
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.148156406561674
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.16608019489685216
+CNS(=O)(=O)c1ccc(cc1)N,0.5439336738376926
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.24967214953268071
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.8194398526014579
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.14681659431322816
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.7230930821933732
+CC1=CC2CCCCC2c2c1cccc2,0.24747359249610468
+Clc1cc2ccccc2c2c1cccc2,0.6329790673429491
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.628459094223766
+C=CCc1ccc2c(c1)OCO2,0.2263152618462586
+CCc1cc(cc(c1N)CC)c1ccccc1,0.6730802404289209
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.8391567552122295
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.22891656076619307
+O=c1c2cccc3c2c2c1cccc2cc3,0.7161347917475087
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5183638271485375
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.232603120770431
+O=CC[C@H](CCC=C(C)C)C,0.1482807055026048
+ONc1cccc(c1)C,0.8301579623005388
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.8047544145970486
+OC1=C(O)C(=O)C1=O,0.23629260150399858
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.7919574226466666
+Cc1ccc(cc1)CC1OC1,0.8044909640729647
+OC(=O)C[C@@H](C(=O)O)Cl,0.16221275567712695
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.13404648451858556
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.7894700002571206
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.14314925055293481
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9364715034771585
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.15454754837287757
+C1CCC2C(C1)CC1(CC2)CO1,0.15170196252027243
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.767930734335644
+NCCCN,0.24249148230601658
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.6809978499242748
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.07981285547387705
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.3763186549919415
+OCc1ccc(cc1)F,0.2549560897609213
+FC(C(C(Cl)(F)F)(F)F)Cl,0.23238685479831792
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.23239971876461707
+CC(c1ccc(cc1)C(C)(C)C)O,0.13982712526729169
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.22936949588370817
+Cc1cc(C)cc(c1)N,0.5544436344397082
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.22947223798158492
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8136745552510727
+NC(=S)Nc1ccccc1,0.28719602436495534
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.6591780987433489
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.7628114550924644
+CCc1ccccc1[N+](=O)[O-],0.7383277569983342
+NC(=O)CNC(=O)C=N#N,0.42656680229070076
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.7272258458074167
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.3762272076310027
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.21199025435614577
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.6826756558367533
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.6798388866555519
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.351972137123096
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.7548382227593883
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.20339875709985236
+N#CC(O)(C)C,0.22411270584261342
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.22258696339913717
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.527036030528209
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.22505262673107554
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.7753348863889038
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.6282272563008013
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.43625180694015314
+Clc1cccc2c1cccc2,0.4584537043345234
+CCN=[N+](CC)[O-],0.25940407251491465
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8222992276622182
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.24284596733599503
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.27396993593078106
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8335919918891432
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.23675542217544032
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.1880331888991309
+OCCc1c[nH]c2c1cccc2CC,0.4605617938383665
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.37092932868643
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.1809089231200255
+Cc1cc(N)c(cc1N)C,0.6505116898172862
+CC(=O)c1cccn1[N+](=O)[O-],0.23167797846318097
+C[N+]1(C)CCOCC1,0.22044211064020758
+OCC=C(CCC=C(C)C)C,0.0942757836270768
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.26470162792703616
+Oc1ccc(cc1)Cc1ccccc1O,0.28728401901625017
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7798495799986357
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.3148939957863125
+Nn1c2ccncc2c2c1cccc2,0.6536886262122173
+CC(=N)S,0.23675542217544032
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.09316719355154354
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.7874653493599681
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7780798424608915
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.2680256912643605
+C=CC(=O)NCNC(=O)C=C,0.2783889319068229
+OCC[C@H](CCC=C(C)C)C,0.14901911177684063
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.3789061412774084
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.15889626270714055
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.17961929539924235
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.8985242160278423
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.6835353607892258
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.16794023217505613
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.790727828042649
+n1ccc(cc1)c1ccccn1,0.45842049763642795
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.3383428106801386
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.4058534474950268
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.7542466059113034
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7840667121376358
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.7511572233983408
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.21131358839335962
+O=CCCCC=O,0.2423559356614928
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7998390523527186
+CC1CS1,0.2405778217045694
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.802984520247997
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.19402155751755903
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.08083078794736413
+OOC(c1ccccc1)(C)C,0.48882636980537275
+COP(=S)(SCC(=O)N(C=O)C)OC,0.29546855646537695
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5720346704338087
+CC1OC(C)OC(OC(O1)C)C,0.33452314814373546
+NCCS,0.2544356300083591
+CCCCCCCC1CCC(=O)O1,0.15496615547364878
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.785139366502653
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5796669423314751
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.39949816905486907
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.17387609632080758
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.6539843024515382
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.7632087725297964
+CC(OC(=O)CC(=O)OC(C)C)C,0.23846549855500637
+COc1cccc2c1C1(C)OOC1(O2)C,0.6503867543104898
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.15891012483992573
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0.23700924782428937
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.8605809285660825
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.8505270055795882
+COC=O,0.24522376610918362
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.26834868687035207
+ClC(=O)CCc1ccccc1,0.4158584088269531
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.13870388963527921
+ClCC=O,0.2959052361486221
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.80702542449625
+ClC(C(=O)O)Cl,0.4697077944571595
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8028425837453637
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.7851831286995372
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.407197537364627
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4727057443102176
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.2071477458502894
+ClCC(CCl)Cl,0.5476222132355519
+Clc1cc(Cl)c(c(c1)Cl)N,0.3418423848770105
+c1ccc2c(c1)cnnc2,0.5046067295429808
+CN(/C=N/c1ccc(cc1C)Cl)C,0.28163255542354265
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.8586199645745723
+O=C1c2ccccc2-c2c1cccc2,0.6221343350260121
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.6812207211447406
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.6956849597389106
+C([C@@H]1OC1)Cc1ccccc1,0.7365222589945595
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.21104873292283763
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.839380907200821
+ClCc1ccccc1,0.26650991503904825
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.6850080672660774
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.7805430545918187
+O=c1c2ccccc2[nH]c2c1cccc2,0.6690764524436087
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.33003282053875865
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8035537427970125
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.8224174324648955
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.46279346650681374
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.4605256464944889
+Nc1nc2c(n1C)ccc1c2cccn1,0.7782112686419391
+OCc1ccccc1,0.26739913768728996
+ON1C(=O)CCC1=O,0.2596476800565754
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.8121010855040426
+[O-][N+](=O)/C=C/c1ccccc1,0.28089086273575165
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.8822260088163262
+Nc1ccc(cc1)O,0.6317691366720479
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5388263618440727
+O=S1CCOC(=C1C(=O)N)C,0.2941450752964489
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0.2756996469067507
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.6587729204833173
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.13634398547290094
+ClCC[N+](CCCl)(C)[O-].Cl,0.5174356960913032
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.817184715007085
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.15574912966077317
+OCC(C)C,0.22051795919505815
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.7798557784466584
+Clc1ccc(c(c1)N)Cl,0.35631275348937175
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.17882143724054686
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5975568536891848
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8072186095331065
+OCCNC(=O)C(O)C,0.3442902714150125
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8318861687920263
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.1212362685698474
+COc1cc(N=Nc2ccccc2)ccc1N,0.7429397135114175
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.3637650905132472
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.1787675032954981
+Clc1ccccc1,0.20444144944910173
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.7295339928994896
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.7815204275482026
+n1ccncc1,0.2169973536124649
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.1972743142369585
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.842668510818587
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.7624425963160766
+CC(CN(CC(C)C)CC(C)C)C,0.2271494586425905
+OCC(C(C(C(C=O)O)O)O)O,0.3928264294546309
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.41070508436751185
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.7393453543914047
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.18965932123475637
+OCCC(CCC=C(C)C)C,0.14901911177684063
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.6665495339291188
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.22141159288657694
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.5096345215343852
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.7283328950726777
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.9283856466071363
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.1840826656297956
+CCCCCCCCCCCCCl,0.2863611909067007
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.3780227137174939
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.26252100232278297
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.8710390663019374
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.6056863127816394
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.6421951945684877
+Cl/C=C(\C(Cl)Cl)/Cl,0.7392871450616049
+NNc1scc(n1)c1ccc(cc1)N,0.7107016171321656
+c1ccc(cc1)CN1CCN=N1,0.46942431849158833
+BrCc1c2ccccc2cc2c1cccc2,0.7774282807683142
+O=C1CC(=NN1c1ccccc1)C,0.3006953454216651
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9353171556510715
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.1772789575751127
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.8442785535929319
+O=CC(C)C,0.24118938608185292
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6858307449685888
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8104289282945635
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.20367193497470007
+O=C(C(Br)(C)C)NCc1ccccc1,0.42254037979931497
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.15125946309340327
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.7228451302778252
+Cc1c(C)cccc1O,0.2571388931771834
+NC(C(=O)O)CSC(=O)NCCCl,0.5367609198007318
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.3998198122013834
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.18889837610226268
+CCCCN(CC(=O)CC)N=O,0.7270546419483103
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.17794113202802536
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.1731826583329829
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7605640774475212
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.7638655277678867
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.782290709104215
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.5644651002837393
+Cc1ccc(cc1)N=NN(C)C,0.7181501693451775
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.14848291434340838
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7074677911870085
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7159991223551206
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.5716340968943115
+ClCN1C(=O)c2c(C1=O)cccc2,0.2735603459141969
+c1ccc(nc1)c1cccnc1,0.5534920657721775
+NC(=O)c1c(Cl)cccc1Cl,0.20127238725797097
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.7677876266893698
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8481032862741118
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.7551103226424937
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8456617288947442
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.24809286671394878
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.1398410153459383
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9283120753308097
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.8181567415121385
+Clc1ccc2c(c1)nsc2N,0.3431511916130298
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.13937423051283457
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.2886949650296535
+O=C1C(O)CC(N1C)c1cccnc1,0.1866663297665158
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.6536951837006281
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.765706569798363
+CCCCN,0.19687284020655368
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.14840924408579467
+C/C=C\c1ccc(c(c1)OC)O,0.25700981647868104
+OCCN(c1ccc2c(c1)cccc2)CCO,0.6639450179963242
+S=c1ssc(c1C)c1cnccn1,0.3035777098520358
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5737525473235192
+O=NN(CC(=O)C)COC(=O)C,0.7888455173659319
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.3526309925734415
+CN(NC(=O)CCC(=O)O)C,0.16670013619562668
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.19713119808115068
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.46544235788577615
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.8008777238744638
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.7887307822485402
+O=c1ccc2c(o1)cc1c(c2)cco1,0.5674362057662374
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.7927736387583257
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.5231705531948316
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.26714168282665823
+OCCc1ccc(cc1)N(C)C,0.48264740913078735
+CN(CC(=O)O)C.Cl,0.18870709713895512
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.797756067567287
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6659835475687602
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7998390523527186
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.5876537634186384
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.543263638626918
+CC(OC(=O)C)C,0.34101366892597657
+CCOc1cccc2c1nccc2,0.47784868978618983
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.7579230236150775
+CCOC(=O)[C@@H](O)C,0.28717101541909207
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.7248400559920988
+NNC(=O)CNC(=O)C=N#N,0.4872144564791273
+O=Cc1ccc(cc1)O,0.19530612101419617
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.27311116201541186
+Cc1c(N)cccc1Cl,0.4587005235652014
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.9437245531239317
+COCC(=O)O,0.19386383271365448
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.30447420637812206
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.9364715034771585
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.7256788811448452
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.7355243979999331
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.1787675032954981
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.8042719534956794
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.37595620715114
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6226655302604427
+N1C2C1c1cscc1-c1c2csc1,0.6484645009626515
+CCCCN(CCCC(=O)O)N=O,0.6197635415133449
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.772188049620468
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.39511599942535236
+OCCN(C(=O)OCC)N=O,0.9088484828651119
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.14752767547294687
+Nc1nc(NC2CC2)nc(n1)N,0.18822228699813298
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.3402699402010494
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.8413125762976525
+ClCC(CBr)(Br)C,0.6608076743363379
+Cc1ccccn1,0.1885442804969329
+CCCN(C(=O)N)N=O,0.8588418603115433
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.15941740158445564
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.24788665695438222
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.15920982439383174
+Fc1ccnc2c1cccc2,0.6037295206798691
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.6613995438165008
+NC(=O)c1cnccn1,0.21972345002413293
+FC(Oc1ccc(cc1)N)(F)F,0.6756173348624152
+[O-][N+](=O)c1cccc(c1C)N,0.7560569304510919
+OCC(CO)(C)C,0.198368378958342
+O=NN(CCCC(c1cccnc1)O)C,0.7610099850165932
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.8286484247010845
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.6890810040155033
+O=C1C=CC(=[N+]=[N-])C=C1,0.4755244201139299
+Clc1cccnc1,0.17902757341110775
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.23423712686064588
+O=NN1C[C@H](C)C(=O)NC1=O,0.9289570335190837
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.15936093384131153
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.214614079358135
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.6718449250950185
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.40316739019796705
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7480477391333753
+[O-][N+](=O)c1ccccc1C(=O)N,0.7562177338153161
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.40337441301731275
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.20537121927394827
+COP(=S)(OC)Cl,0.2371103642653225
+ONc1cnc2c(c1C)nc1n2cccc1C,0.7868051235259936
+OCC#N,0.23288200247709054
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8126315112521194
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.47545475377784363
+NC(=S)c1c(Cl)cccc1Cl,0.2038170895605407
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.7366105604423904
+OC1OC(=O)C(=C1Cl)Cl,0.8044639381074853
+OCCN(C)C,0.23106549426933845
+O=Nc1ccc(cc1)N(C)C,0.7348533439458523
+OCc1cccc(c1)Oc1ccccc1,0.26890658387552735
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.8706647383128377
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.1769759005426717
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7918503625669379
+Nc1cccc(c1)N,0.7073236696944666
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.6242002180860106
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.8524826980348037
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.1846497383055776
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.767951612268167
+Oc1cnc2c(c1)cccc2,0.5754121625539855
+CCCCCN,0.16436897593896954
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.6440036150246541
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.4505733195945946
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.7382744685456959
+O=CN(C)C,0.2293409614658621
+C=CCc1ccc(c(c1)OC)OC,0.23375091687064975
+O=NN(C(=N)N[N+](=O)[O-])C,0.7683034300953943
+COc1cccc(c1C(=O)N)OC,0.2897909882537532
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.8150171557359676
+NN(Cc1ccccc1)Cc1ccccc1,0.3052436641759694
+Cc1ccc2c(c1)nn[nH]2,0.4099112941917779
+c1ccc2c(c1)cc1c(c2)cccc1,0.7215316402788143
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.7512779557949456
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.7684913839952398
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7584826436233465
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.7378854040794096
+OC(=O)c1cc(Cl)cc(c1)Cl,0.17039845502097262
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8211804453963084
+Nc1ccc(c(c1)Cl)C,0.5374978802412771
+COc1ccccc1O,0.2845147825059335
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.847493903303406
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7712323192382586
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.23873259290791998
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.811026118939056
+CCCCCCCCCc1ccc(cc1)O,0.1774932492442226
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.11282771357808541
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7341733041448456
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.18255829318188874
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.28714424743187245
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.2875741777030571
+Oc1cccc2c1nccc2,0.5126788676413304
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.7904309679840924
+Nc1ncnc2c1ncn2C,0.5510096906401477
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.5990852283517613
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.7899238154263896
+CC([N+](=O)[O-])(C)C,0.37090721150906963
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.8239802398156238
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.3218857128205054
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.16978990838341954
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.6619027269841254
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.8692150457846036
+Nc1cccc(c1)Cl,0.49352570199611917
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.6318488510963611
+Clc1ccc2c(c1)nc([nH]2)C,0.3008970061554269
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.7962880679655049
+Oc1cc(Cl)c(cc1Cl)O,0.16573841433926031
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.45329609153028044
+Cc1cccs1,0.23476114029683307
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.3263876828782452
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1777602029600447
+O=NN1CCN([C@H](C1)C)N=O,0.8910449674624741
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.8200293571170146
+OCc1ccc(cc1)Cl,0.1959502435559628
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.5153614013759944
+CCCN=NC(OO)(C)C,0.49657194152496076
+CCN,0.24270181835192986
+NC(=O)C=C,0.24047095814674802
+CC(Br)Br,0.23961245395941888
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5349292174972011
+CCP(=O)(OCC)OCC,0.22572573871608156
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.4377561699280087
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.13319313010133477
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.7828126472547661
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.15238055560855512
+CCC/C=C(/C=O)\CC,0.47760708653960704
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.8026824204371575
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.6675089916165919
+COc1ccc(cc1)OC,0.2713813298190264
+ClCC(=O)CCl,0.2757408569826738
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.17665982949099412
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.8839455019034388
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.8505270055795882
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.5927265119506755
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.7802492816787604
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.15157924124569577
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.18035446386380344
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.7138097608104125
+CC(=O)CC(O)(C)C,0.20473962763831294
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.8790095997760292
+Oc1ccc2c(c1)cc[nH]2,0.4328348242432989
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.8952067423963781
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.30047016172389146
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8073300605682182
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.1571487442183707
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.7547539870634151
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.7544312739345552
+CN(C#N)N=O,0.6190387874001959
+NCCCN(C)C,0.21429979666434845
+C[C@H]([C@H](O)C)O,0.22134162635385207
+O=C1CCC(N1C)c1cccnc1,0.17260763625380474
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.2143124779570174
+COc1ccc(c(c1)C(C)(C)C)O,0.16160845063192636
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8238361037625411
+C[C@H](CNC[C@H](O)C)O,0.21931611317066985
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.15989036003523915
+C[N+](CC1OC1)(C)C,0.7422882585465704
+Cc1nccc2c1[nH]c1c2cccc1,0.7294773763775594
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.2187428692479174
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.18528128642189096
+OC(=O)CN(CC(=O)O)CC(=O)O,0.18982907361410922
+[O-][N+](=O)OOC(=O)C,0.305288600791661
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.36701424203740096
+IC(I)I,0.23675542217544032
+CCCO,0.21895998754409784
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.8537593203533275
+Clc1ccc(cc1)Br,0.17377019007036662
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.7542466059113034
+C=Cc1ccccc1Cl,0.21571035682307202
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.2147542539770705
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.24738920910243686
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.4597847916336861
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.7632820427256874
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.2847595166371838
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.535990956453815
+BrC(C#N)Br,0.2246476253299614
+O=NN(c1ccccc1)c1ccccc1,0.6215114121007332
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.732549342817141
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0.3268993077583352
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.2897043509169675
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.8196869543780819
+C[C@@H](ON=O)CC,0.4616616617740741
+O=NN1CCC[C@@H]1c1cccnc1,0.7314413614265899
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.5616492831991979
+Nc1nc2c(n1C)ccc1c2cncc1,0.7520354914048055
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.7505792302428679
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.740388725152697
+ONc1cnc2c(c1)nc1n2cccc1,0.7725173315325319
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.456643567342333
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.07323768528821852
+Nc1cc2ccccc2c2c1cccc2,0.7851515150352211
+Nc1nc(N)nc(n1)Cl,0.15831705955059203
+Fc1cccc2c1ccc1c2nccc1,0.6715859431206481
+c1ccc2c(n1)cnnc2,0.4947847399947623
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7675406951687325
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.22605644611699183
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.8402372013245031
+OC(=O)c1cccc(c1)C(F)(F)F,0.14473732242587387
+CCOC[C@H]1CO1,0.7223607126955974
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.22494407713548814
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.7214488855085702
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.7356026162482123
+Clc1c(Cl)ccc(c1Cl)Cl,0.15140905619254694
+NNc1nncc2c1nccc2,0.6307885510469368
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5398901132001772
+ClCC1=C(Cl)C(=O)OC1,0.8191609936438101
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.783855988462703
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.5892846515671784
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.5122635719479914
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.7319544264656336
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.11751774793678309
+O=CC(Cl)(Cl)Cl,0.282053691306791
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.515150034131636
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.20850700254786111
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.8133224754026325
+CCCCCN(CCCCO)N=O,0.6801227066378702
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.17627124616527898
+ClC(c1ccccc1)C(=O)Cl,0.5307721717073617
+N#C/C=C/C#N,0.23417180557358408
+O=Cc1ccccc1C,0.24083322536653862
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.3048579886088815
+OC(=O)C(Br)(Br)Br,0.18263251530801322
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.4563499155550317
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.1626763903726781
+ClCCN(CCCl)C,0.6595180968119985
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.19405517559747137
+CC(OS(=O)(=O)C)C,0.793723311373047
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.7598745417196265
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.18165811874961907
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.21521843862032716
+N#CCC[C@](C#N)(CBr)Br,0.6174171703935558
+ClC([N+](=O)[O-])(Cl)Cl,0.3362588261239351
+C1CC[C@@]2(CO1)CO2,0.23832314739877328
+CCCc1cc(O)nc(n1)S,0.21101530895002582
+Cc1ccncc1,0.1890655653676177
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.758238986626529
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.7623527089729693
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5608277489970775
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.9013099174501702
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.5975827178254294
+CC(=C)C(=O)O,0.19952035481019043
+O=C=NC1CCCCC1,0.18615315633038187
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.7966512497829517
+Cc1ccco1,0.241937302015814
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.5796496958228519
+CSSC,0.22867386574500778
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.7246450773483379
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.6154699400738559
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.13376311921751133
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.6247999285380285
+C[C@H](COC[C@H](O)C)O,0.46881399996880263
+Nc1ccc(c(c1)C)C,0.6291232640778566
+c1ccc2c(c1)nccn2,0.4386969093380446
+NC(=O)c1ccccc1O,0.2652135954555764
+Cc1cccc(c1N)C,0.504917946436522
+Oc1ccc(cc1)[N+](=O)[O-],0.7707803724802135
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.17086798345272167
+OC1C=CC2C(C1O)O2,0.33241552159705784
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.8362510727915093
+C/C=C/c1cc(OC)ccc1OC,0.3764367377640114
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.18467379704935227
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.7749527570944953
+C=C=O,0.22867386574500778
+CCCCCCNCCCCCC,0.15896660033963556
+ClCc1cccc(c1)CCl,0.27654318751113266
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.3982068226356391
+OCc1c(CO)cnc(c1O)C,0.19007288605265651
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.7434774188366934
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.8344689727233588
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.5698399694945087
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.18528429299723123
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.16034424075235615
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.8046438250294804
+C=CCOC(=O)COCCC(C)C,0.20396169045650422
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.7234570993878983
+Cc1c[nH]cn1,0.2616925463125529
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.6162327398639822
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.11053955450539099
+Cc1cc(C)c(c(c1)C)C,0.2124383535693634
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.8461817102197807
+Nc1c(C)cccc1N,0.6409481928460332
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.2677339239204473
+OC(=O)COc1ccc(cc1C)Cl,0.1763566712395472
+C=COc1ccc(cc1)[N+](=O)[O-],0.7948913242410749
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.7782754614053712
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.80230979677995
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.184685458938553
+CCCCN(CC(=O)C)N=O,0.7285765397557479
+ClC(=O)c1ccccc1,0.7587235606103151
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.4524158018973998
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.695823442151248
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.19889525663760055
+Cc1cc(C)cc(c1)O,0.1923386935320872
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.3049211154289032
+Nc1ccc(cc1)CCc1ccccc1,0.6212289771864162
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.3154561954020767
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.8110622631643849
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.1530764494875219
+OCCN(C(C)(C)C)CCO,0.25343499144512605
+CC12OOC2(C)c2c(O1)cccc2,0.7082022276730014
+Nc1ccc2c(n1)c1ccccc1cc2,0.7037195708235291
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.7303492964879071
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.18302375383515243
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.4784477380487557
+O=NN1CCCCCCC1,0.8053013600018315
+O=C1C=CC(=O)C1(Cl)Cl,0.2464521124049885
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.17458874259425877
+O=S1(=O)CCCCO1,0.5934237563164789
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7154458527318488
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.5510194847096935
+ONc1ccc(cc1)C,0.8715388910501038
+ClC(=C(Cl)Cl)Cl,0.3859477671563968
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.6510913831933759
+OC(=O)Cc1cccc2c1cccc2,0.5709918854801321
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.672087083546816
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.1637765187309407
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.5537226608313605
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.6374903208167065
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.14598839835004762
+ONc1ccc(cc1)Cl,0.5181188617713647
+CC(=O)Nc1ccc(cc1)C,0.3060687501028338
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.5320995272626243
+C1CCSCS1,0.23179952453814973
+Cl/C=C(\SCc1ccccc1)/Cl,0.5195081461130289
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.7467901598972688
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.8387009300663293
+Fc1c(N)cc(c(c1Cl)F)Cl,0.37274006886987165
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.8134196582031997
+CC(=O)c1ccc2c(c1)cccc2,0.5720069722917792
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.14849970115625186
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.363373927438783
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.42536625802351535
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.3960691918633466
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.4382126594673279
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.26097714797541627
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.14495974597795708
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.1897090489753762
+O=CCC(C)C,0.21587556218457235
+O=C([C@]1(C)OC1)NCc1ccccc1,0.5619753668994883
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.43833777023630793
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.7044612057493717
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.27274632618077616
+CNC(=O)c1cccnc1S(=O)(=O)N,0.1798486329985752
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.7975665800498372
+OC(=O)c1cccnc1,0.1695353020806797
+N#N=NCC1OC(O)C(C(C1O)O)O,0.9345302634238742
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.7425371048844348
+CP1(C)NP(C)(C)NP(N1)(C)C,0.22867386574500778
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.2578149775449197
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.8597834956036315
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.34593668665446514
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6348087698154936
+CCCCCC(=O)OCC,0.16026545843562104
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.8244839521314864
+COC(C)(C)C,0.46840773517041423
+O=C1NS(=O)(=O)Cc2c1cccc2,0.2517218097261895
+OC(=O)C1OC1C(=O)O,0.1752336132854245
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.26275250819865714
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.2223338561221708
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.6877451153567009
+OCCCCCCCCCCCCCCCCCC(=O)O,0.12887286436918674
+[O-][N+](=O)c1ccc(o1)CNCCO,0.9161409076456848
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5150858319040255
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.13844377879283906
+FC(C(Cl)(Cl)F)(Cl)Cl,0.22867386574500778
+ONc1cccc(c1)c1ccccc1,0.8043857493343096
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.7075628058336129
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.8295462650359833
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.6961278017771731
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.42548211604220204
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.1504124367263985
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.7064917188874007
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7841002913069764
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.5766364178312281
+BrCC(=C)Br,0.3676116766819676
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.2104635981152403
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.7701636139040617
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.22895295807254154
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.21946317759392736
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.780856083215915
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,0.2837099693575689
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.2590820803953321
+Nc1cccc2c1c(O)nnc2O,0.6186924558106786
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.21737631511593059
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.7932081328482641
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.17831264196317495
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7998373510795932
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.29900044699703426
+FC(C(C(F)(F)F)F)F,0.1915244527576958
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.5307974665528197
+O=Cc1ccc(cc1)C,0.20722040523249227
+Nc1cccc2c1snc2,0.676820459859932
+Oc1ccnc(n1)O,0.20262821155755234
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.22867386574500778
+c1ccc2-c3c(Cc2c1)cccc3,0.7167808578520205
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.4196229049015903
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7942732277916459
+Clc1ccc(cc1)[S@](=O)C,0.1933401486589977
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7375933172697188
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.858775053473188
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.16491502241176842
+OC[C@H](O)C,0.22459835369668268
+OCC(C(C(C1SCCN1N=O)O)O)O,0.7510604849777169
+Nc1[nH]cnc2-c1ncn2,0.5064143079645695
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.3408569727948752
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.22019547609964507
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.18089946875958898
+c1scc(n1)c1nc2c([nH]1)cccc2,0.5707423029750067
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.4736281008237456
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.7951420206990817
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.26713993925768964
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5551133502098615
+OCCN(C(=O)Nc1ccccc1)C,0.21602847125505267
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.2955446523173164
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.1324524211505373
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0.4382126594673279
+COC(=O)N,0.4173942334769526
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.1796696848856212
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.782953775052218
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.30646786277323407
+N#CCCNCCC#N,0.21888887424352987
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.7368988028741484
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.14654532461308306
+OC(=O)CC(=O)O,0.18263251530801322
+Clc1ccncc1,0.1834494234010821
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.46370475407933137
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6233637994319717
+CCCN(C(=O)SCc1ccccc1)CCC,0.23992454390777385
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.30822792477745076
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.19632594250100127
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.21332139487631446
+ON=C1CCCCC1,0.21058038472785864
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.3761418504648676
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.6957196299958931
+NC(C(=O)O)Cc1ncn[nH]1,0.19961522442901433
+OCc1nc(N)nc(c1)C1CC1,0.17468428634518451
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.44367563984864855
+CCCCCCC(=O)OCC,0.16026545843562104
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7032683880094084
+OCCCc1ccccc1,0.26921354287840976
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.13454848476578166
+CCOS(=O)(=O)c1ccccc1,0.3163370498665745
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.8318338997967607
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.6183072018437531
+ClCc1ccccc1[N+](=O)[O-],0.7304458119072922
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.12341942849061631
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.8030073743990246
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.14844849872333718
+CCCCB(CCCC)CCCC,0.18576327628598993
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.6951513808411377
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.667179768038124
+Cc1ccc2c(-c3ccccc3C2C)c1,0.7742707130899196
+ICCc1ccccc1,0.3121529423653874
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.13676234148821545
+OCCC(C)C,0.20787760623076237
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.16778778259748067
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.8313089596099539
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0.31905177048123134
+Cn1sc(cc1=O)Cl,0.3042041828758006
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.1405315276344637
+S=C=S,0.22867386574500778
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.8010183609021448
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.5921267751708424
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0.37652060348128946
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.20859202133147647
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.2258634856085583
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.5854245021075216
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7568113878776926
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.6097957530578134
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9247706060748878
+CCCC=O,0.23323024969484493
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.8030073743990246
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.6609502463858326
+COc1cc(N)c(cc1N)OC,0.6296246662071393
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.831568919281873
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.7964389258176173
+O=C/C=C/c1ccccc1,0.5917137240090663
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.63286596566555
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.4494263252970762
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.1910496902877761
+CCCC/C=C/C=O,0.4212432453947057
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.3611877427167329
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.8030139522835137
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.7753201029558089
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8347349154392852
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.732745232829045
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.7528553630867716
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.6126999130301591
+O=NN(Cc1cccc(c1)OC)C,0.7117716899596511
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.788685932946702
+OC(=O)CN=N#N,0.6299595988810999
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.9191875778282026
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.2386306134042982
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.861944768840382
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.7175342270908827
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.763784131759275
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.8203370136503623
+COc1ccc(cc1)N,0.6562017167299776
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.15911324317591444
+N[C@@H]1CC[C@H](CC1)N,0.20838568950897482
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.6602464278784066
+[N-]=[N+]=NCc1ccccc1,0.5774215848195906
+O=C([C@@H]1OC1)Nc1ccccc1,0.5896794435823822
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.22639302348909848
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.6130440406284716
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.372161352432446
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.16983816197167
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.793241614247352
+COP(=O)(SC)SC,0.23270816700968464
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.8187338613113714
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.39492130362942407
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.5014313372334116
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.12012074946300462
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.807305677102544
+C(Sc1ccccc1)CSc1ccccc1,0.2672876120627052
+O=C1CCCCC1,0.17649867010773168
+O=NN(Cc1cccc(c1)C#N)C,0.7497664556391312
+OC(=O)CNCP(=O)(O)O,0.17743750709423492
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.3257795219875779
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.80230979677995
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.8426317053377155
+COc1c2oc(=O)ccc2cc2c1occ2,0.5567352618124148
+O=C/C=C/C=C/C=O,0.7136247814483991
+ON(c1ccccc1)C(=O)C,0.6299942706742524
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.7876891735314898
+Cc1cc(=O)[nH]o1,0.22558051628100287
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.8553979177760073
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.7092076257273628
+CCCOC(=O)c1ccc(cc1)O,0.12766070882995667
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.7966487213388395
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.705305994815112
+BrCC1=C(Br)C(=O)OC1,0.6578068761066445
+ClC(C(=O)C)Cl,0.5354733334821343
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.17683699620449317
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.7927571505024978
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.6360961096074719
+ICCc1ccc(cc1)OCc1ccccc1,0.3038119990043064
+C=CN1CCCC1=O,0.22496637271499373
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8398001533356427
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7279168978683578
+NC(=O)OC1CO1,0.4526355932339378
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.7270124015436998
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.47803257601270666
+COP(=O)(NC(=O)C)SC,0.2999972495182636
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.6996765350145974
+OCCc1ccc(cc1)[N+](=O)[O-],0.7845891358476756
+FC(=C(F)F)Cl,0.2341549654732266
+C=CC(=O)OC(C)(C)C,0.2384326422304855
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.54876691991474
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8072441120550872
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.7703730266835493
+NNc1ccc(cc1)C(=O)O,0.41410849417313733
+Fc1ccc2c(c1)cccn2,0.5890398723904808
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.13632452502271586
+CN(C(=S)N(C)C)C,0.2251243415364476
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.6846094326932175
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8284775821302859
+C=CCc1ccccc1OCC(CNC(C)C)O,0.13886430050536844
+OC(=O)/C=C/c1ccc(cc1)Cl,0.20267994710981435
+Cl[C@@H](C=C)CCl,0.5241517237801625
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.11991859016928055
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.7950439517222295
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.15094185373548447
+CC(=O)Nc1ccc(cc1)N,0.6291616955442817
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.23799000651148527
+[O-][N+](=O)c1cccc(c1N)C,0.7463401027832118
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.13731397499649986
+OCCO,0.23040601642686095
+O=C/C=C(\CCC=C(C)C)/C,0.36212609133083473
+[O-][N+](=O)c1cccc(c1N)N,0.7613743544517301
+CC(=O)NN,0.3345609059923814
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.3655407889140928
+O=NN1CC[C@H](C1)O,0.8968289935913871
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.7728890663821347
+OCP(CO)(CO)CO,0.22867386574500778
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.535574850597573
+COc1c2cccc(c2nc2c1cco2)O,0.4391131207027375
+CNN=NC,0.45974759809058385
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.19131441336916769
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.798983506272122
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.1390130992388723
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.26048526017597373
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.7463404330367778
+[O-][N+](=O)c1ccc2c(c1)cns2,0.8253976954915896
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.1832614976279032
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.781462382034176
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.15322080241123223
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12060145187737464
+COC(=O)CCCCC(=O)OC,0.21253955688994233
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.7800992534846511
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.36318942553872574
+ClCC(Cl)(Cl)Cl,0.5141064905178111
+OC1CC2C(C1(C)CC2)(C)C,0.15511957813493027
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.8195106680802715
+OCCCNC(=O)C(C(CO)(C)C)O,0.2256906210942865
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.7332424556013399
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.6850208799433163
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.8244503881538244
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.19312871103776272
+CCCCCCCCBr,0.3069582026969079
+Nc1ccc(cc1)N,0.635588568264878
+Cn1c(N)nc2c1cc1ccccc1n2,0.6533533842455288
+O=Nc1ccc(cc1)C(=O)C,0.7474444950457555
+ONC(=O)c1ccc2c(c1)cccc2,0.6563846589896764
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.22571186231069545
+Sc1ncnc2c1[nH]cn2.O,0.5845605904653333
+CC(C(=O)N(Cc1ccccc1)C)Br,0.6541291235646224
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8039509120536664
+ClCCCBr,0.6986264330575597
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6616196526155935
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.4190530819004089
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.7144239340965657
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.5982007334155096
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.3312153081968932
+CCOCCOCCOCC,0.22386857280161043
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.1487692440532759
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.4819656877571001
+ON(c1ccc(cc1)Cl)C(=O)C,0.3796720838250666
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.8643580136059275
+CCOc1nc(ns1)C(=O)O,0.19725366215807694
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.3954302653642687
+BrCC(=O)c1cccc(c1)OC,0.30410558499104823
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.6551290246250513
+CCBr,0.6110887454083149
+O=CC1=CCC(CC1)C(=C)C,0.45421217300270644
+BrC(C(Br)(Br)Br)Br,0.23925374223125664
+Nc1ccc(c(c1)C(=O)O)O,0.5334582886400525
+CC(NC(=O)Nc1ccccc1)C,0.19724560492616944
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.676758054303422
+O=C(Cc1ccccc1)OCc1ccccc1,0.2638714351189091
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.3738028776392561
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17614478417958052
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.768108680045344
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.22903499364335178
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.18711113754276407
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.5116922888432393
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.878195361798703
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.6060160543670141
+NC(=S(=O)=O)N,0.22867386574500778
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.7779430068916205
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.8705532462025685
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.7366468667296626
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.7949908670532655
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.6557493540806024
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.728270817563241
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9212668645953492
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.2385049908211803
+OC(=O)c1ccc(c(c1)Cl)Cl,0.1731676971821355
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.7210018261793771
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.1785767742582176
+Nc1ccc(cc1)/C=C/c1ccccc1,0.6477568448690025
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.29900044699703426
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.8207284568771707
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.8628644812075427
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.6020235993044265
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.6684254321224838
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.29408257043949715
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.7537178610196329
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.43846679345136785
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.2967945252726667
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.25731636212148556
+CN(N=O)CC,0.8624089777475296
+COc1ccc2c(c1)nc([nH]2)N,0.5629440501722448
+CC1(CO1)C=C,0.31878262679291897
+NCCNCCO,0.31246933052223447
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.8179488614872439
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.8111159754094532
+NC(C(=O)O)COC(=O)C=N#N,0.3221377920348457
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.2797083965464948
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7171404600433274
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.197014591647021
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6653843325278507
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.7380187815291576
+ClC(c1ccccc1)Cl,0.25631782752484883
+Clc1ccc(cc1)CC1OC1,0.5518355713401296
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.5760399506107
+OC1c2ccccc2Oc2c1cccc2,0.2557793621601969
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.5742628516282695
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.779771064152341
+C[C@H]1CC(=O)O1,0.21808609989206484
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.7909307786295022
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.5433467377915288
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.5057385759346655
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.4422584633415704
+Clc1cnc2c(c1C)cccc2,0.4815197297706983
+CC(=O)Nc1ccc2c(c1)nccc2,0.5667327475387186
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.8291465137140591
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.323979272104567
+OC(=O)c1occc(=O)c1O,0.2968338238553517
+Cc1ccc(c2c1ccc1c2cccc1)C,0.7896881774754683
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.24390676187017155
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.11978815617289354
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.611212724066407
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.19066208634947893
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.18097457137750908
+CC(Cl)Cl,0.22978490323400433
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8781646578031505
+O=NN(C(=O)N)CCC(=O)O,0.6184132008246538
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.8029810713610813
+ClCCOP(=O)(OCCCl)OCCCl,0.5747091526074768
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.6835197055870715
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7419756309299992
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.1562839410201567
+NCCc1c[nH]cn1,0.2818803795095533
+Oc1ncnc(n1)O,0.23622461262974181
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.8035066108104678
+C=CC(=O)OCCOC(=O)C=C,0.19921510360012878
+CCOC(=O)NNc1nncc2c1cccc2,0.6588058389181514
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.8016654550571409
+CC(=O)CCl,0.3254860729253606
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.21640750633043593
+C=CC(=O)c1ccc2c(c1)OCO2,0.3115097267615801
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.24799860499708035
+O=NN1CCOC(C1)O,0.8980366869558605
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.7123470968197818
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.816550754908001
+COc1ccc(cc1)CC=C,0.24830081384589917
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.17329776444746034
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.17632931766862492
+Cn1cccc1,0.3449180055284319
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.6249807331509243
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.28582587194745585
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8290427295323975
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.8171805577577556
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.6201577064604986
+CN(N)C,0.24339503973311233
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.8717104033205354
+Cc1ncc(nc1)C,0.22380672975361604
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.1518158118936543
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.80230979677995
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.14158224167431327
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.1993065232165203
+Nc1cccc2c1c1ccccc1cc2,0.7736763338036009
+ClC1OC1CBr,0.6791988033978852
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.1873295161720473
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.11336338660376198
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.48702707596269457
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.44009048474314527
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.904423545879095
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.7364971080695921
+O=CC1=CC[C@H](CC1)C(=C)C,0.45421217300270644
+COP(=S)(SCC(=O)NCC=O)OC,0.30577769820864464
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.16850644374864027
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.16180246028579054
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.19305335388366313
+Cc1ccc(cc1)Cl,0.19557715694517197
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.23325898154014973
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7436454184825119
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.4178498118839568
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.4145980919642533
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.20018117057427157
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5723626854033207
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.6259028592991951
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.6411169981452345
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.8026731959855775
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.19224685403669958
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.8552016826920328
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.7946846749045293
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.765110559277039
+Nc1nc(N)nc(n1)N,0.14759267901989062
+n1ccc(cc1)c1ccncc1,0.4235500722221626
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.5205322037904846
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.737476687710319
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.6466360450327724
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.24104386326504074
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.7820157710099527
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.2398359961577822
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.1469716837953807
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.8033522136769701
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.7199774982115488
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.35957331458188685
+Nc1ccc2-c3c(Cc2c1)cccc3,0.744095108064782
+CCOC(=O)N(N=O)CC,0.8980410783715408
+C[C@H](CN(C[C@H](O)C)N=O)O,0.8670438500152089
+COP(=O)(OC)C,0.23354666590972645
+CN[C@H](Cc1ccccc1)C,0.24144958649499962
+[O-][N+](=O)c1cccc(c1O)N,0.7357478389841359
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.5514471631529767
+OC(=O)c1cccc(c1N)O,0.35842206901050355
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.3365682446188466
+Nc1ccc(cc1)Nc1ccccc1,0.6269264773234136
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8033722426320618
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.44658071258019505
+CNc1ccc(cc1)O,0.4609527598704171
+C=CCc1cc(OC)c2c(c1)OCO2,0.2466499407851922
+Cc1cc(N)c(cc1C)C,0.6191774123951866
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.18277697956700462
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.16744847984533073
+O=C1CCCCCCCCCCCCCCO1,0.13547125317589
+COC=C,0.2635829942882673
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.1381010702275044
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.1362079876096711
+ClCc1cccc(c1)[N+](=O)[O-],0.7598211590110457
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.7674336940677509
+Clc1cccc(c1)Cl,0.20364249265481146
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.4454274416429877
+Cc1ccccc1OC[C@H]1CO1,0.7987437076286799
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.1482320516218922
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.2668483761404124
+Clc1ccc2c(c1)cccc2,0.45864698618991123
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8242167932898373
+ClC(C(=O)C(Cl)Cl)Cl,0.5904842748616399
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.6134803257880519
+OC1=CC(=O)C1=O,0.22801770318913328
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.49886679865795175
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.6741693084264131
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7722616004801895
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.7292405359793138
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.8067922062031937
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.4528490550555237
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.45884578877525073
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.3905986928103627
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.7809930253194668
+Cc1n[nH]c(=O)[nH]c1=O,0.2941045652283459
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.581326770358404
+CCCCCCCCOC(=O)C(=C)C,0.13488978052857242
+OC(=O)CCN[N+](C)(C)C,0.13860170050209977
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.1842997881547804
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.7801538322935314
+Clc1ccc(cc1N)C(F)(F)F,0.27761327028094857
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.6051899518551026
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.35759083672463166
+Nc1ccc2c(c1)oc(=O)cc2C,0.6425479545760396
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.7258677578433566
+CC(=C)c1ccccc1,0.2778685558776899
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.795803244990991
+Cc1ccc(cc1)[N+]#N,0.3748449988504886
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.587098952080311
+Oc1cccc(c1)Nc1ccccc1,0.44123599995634133
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.6599162078873716
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.24474417973813012
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.6137456748742213
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.21068727124281847
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.8538235125929908
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6959159173114087
+Cc1cccc2c1-c1ccccc1C2C,0.7930182898451166
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.21799188112542894
+ONc1cc(C)cc(c1)C,0.824058844921055
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.6404245156703954
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.16254254262928075
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.3877450990086997
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.6826364100764424
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.7753740762575423
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7819186920702572
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.6717035167532495
+O=Cc1ccc(cc1)[N+](=O)[O-],0.7905784340281627
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.6953127615199457
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.6532281658525663
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.8126809321435722
+Oc1ccc2c(n1)cccc2,0.5505613686820047
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.8444685089354125
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.5468593815042665
+NCCO,0.24635155811564383
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.5350674364971498
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.1754692255108424
+Fc1cccc2c1cccn2,0.6184659341359579
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.1595520611172488
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.25698133701415304
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.5439072385699607
+COc1ccc(cc1C(C)(C)C)O,0.1574773604590125
+CCCCCCCCC,0.15835067095172037
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.824523884353702
+Clc1c(O)cccc1Cl,0.20165803699765164
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.2200714517065116
+[O-][Cl](=O)(=O)=O,0.22867386574500778
+CCOC(=O)C(Br)C,0.5971787788791489
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.8042171211994068
+Cc1cc(C)c(c(c1)C)N,0.504950904686776
+BrCCCCCCCC(=O)O,0.2270837437484329
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.3144638783264365
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.6691962905022177
+CC1=CC(O)C2CC1C2(C)C,0.20288584343460522
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7503311128058491
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.282285986368476
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.49643997772142534
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.5317949780546517
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7789957181928513
+OC(=O)O.[K+].[K+],0.23186346065505134
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.8324252428081964
+Cc1ccc2c(c1)nc(n2C)N,0.7449595462183821
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.8598012930698888
+CCC[C@H]([C@H](CO)CC)O,0.16230752301096643
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.18749620177216747
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.5693092227938812
+CN(C1CCCCC1)C,0.17048691140860306
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.8447209823548744
+COc1c(N)cc(c(c1C)N)C,0.5849105757459989
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8712542280197171
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.78013173599231
+Cl/C=C/CSCC(C(=O)O)N,0.4276325404073686
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.31242354510311043
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.5418716399852218
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.28080611636132946
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.142549427603176
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.37086442925988516
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.543699151107682
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.5927670489615505
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.23137259179612277
+CCS,0.23664996299063462
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.5786896359855243
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.5205322037904846
+CCC(CO)(CO)CO,0.24610030968134722
+CCCCCCC=O,0.1592077322070673
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.2721056506090297
+CN([N+](=O)[O-])C,0.4308542945612641
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.7815535795095445
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.5473857319705262
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.8452130048034594
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7201455346897423
+COC(=O)CCCC(=O)OC,0.22433074821015853
+O=Cc1ccc(cc1)Cl,0.18986616349582008
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7658221578596708
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.9256302803859654
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.21780999174026333
+OCCN(CC)CC,0.22791357606611193
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.796138958679107
+COC(=O)C(=C)C,0.2322714560276489
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.19938584691047906
+CC1(CO1)C(=O)N,0.4149324163732322
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.6707997372206826
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.19297389729524964
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.23137259179612277
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.24977938085915335
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.8199264910811984
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.1579040928535164
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.1446119648605136
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.7969226036432439
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.4107780335818485
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.3297761074200936
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7916352439710255
+CC(S)C,0.23020729218097302
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.6788499960159627
+C[n+]1c2ccccc2nc2c1cccc2,0.7626483144561955
+CCOC(=O)[C@@H](C(=O)C)Cl,0.1824660937906729
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8380455987577555
+COC(=O)C(Cl)Cl,0.6151861477920368
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.47295234386914997
+CCCC(=O)C,0.18857252124541227
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.18363547086726534
+CC(=C)C(=O)OC(C)(C)C,0.22719287497204566
+[O-][N+](=O)C(C(O)C)C,0.3091886221604055
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.21063354816952096
+c1ccc(cc1)N/N=N/c1ccccc1,0.6235892781332274
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.24682278508999622
+Cc1cc(ccc1N)c1ccccc1C,0.7453946740440642
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.19433347179972152
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.47995518064699616
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.7709610391582448
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8733662588493418
+OC(=O)c1ccc(cc1)N,0.5124241028799129
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.8471157685843211
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.22450190031009196
+COC(=O)C(Cl)C,0.26780573452260004
+C[Si](O[Si](C)(C)C)(C)C,0.22867386574500778
+CCCCBr,0.4250190970883145
+OOC(N=NC)(C)C,0.5773226508641517
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.6365581042849409
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8128486035127126
+OCCOc1ccccc1,0.2482287384302589
+O=c1[nH]ncc2c1cccc2,0.4582893700334798
+CC(=O)Nc1cccc2c1cccn2,0.5552993822771795
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.14953906477488998
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.9128509216976969
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.6751211077325727
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.15588644893796574
+COc1cc(ccc1O)C(=O)C,0.2329586858271617
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.24073171828736561
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.7431409472121494
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.15359700783700778
+[O-][N+](=O)c1ccc(c(c1)O)N,0.782680050749629
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.856316852480774
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.13570775806255347
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.18172357548227516
+c1ccc(cc1)c1ccccc1OCC1CO1,0.7806430890151913
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.1887821153841956
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.13886430050536844
+COCOC,0.23804633878437897
+Oc1cc(=O)[nH]c(n1)N,0.16179837001758196
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9190601791560755
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.7164377356578231
+c1ccc(cc1)NN=Nc1ccccc1,0.6235892781332274
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.1177995519256498
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.25903331385817363
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.7966487213388395
+CCOO,0.468360136398862
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.7476793025527496
+CCOC(=O)N,0.45161570300212345
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7181352250834154
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.50424333521098
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.7638466503031744
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.2546004382185289
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4966739304311354
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9322445672653699
+CCc1nn(c(c1Cl)C(=O)N)C,0.18093641220933457
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.2561728259181434
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0.2311627321506406
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.3081643353471554
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.7008789084469673
+CC(=O)OCCOCCOCCOC(=O)C,0.3057605266177682
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.33264905066718475
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.19926974854420465
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.5629103627864266
+Oc1ccc(c2c1cccc2)O,0.44850487124715455
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.28582587194745585
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9358013636302936
+CCCCCCCCCCCCCCCCN,0.15996543493547824
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.15028947126672138
+Cc1ccccc1N,0.6221597717939567
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.8329906184329148
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.5957949242318789
+CCCCCCCCO,0.1581902763148499
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.15415125661387666
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.7746390789170345
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.5057385759346655
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.6143902744403278
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.13065638517931755
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.7146249094527087
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.46674823565853246
+OCc1ccc(cc1)Br,0.12239813621549667
+O=c1nc[nH]c(=O)[nH]1,0.2287224347548682
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.679729866140168
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.0997721956070787
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9233758888845037
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8156811362261838
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.7243433624414626
+BrC(=C)C=O,0.6469608904785771
+Clc1nncc2c1cncc2,0.3531880268414927
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.17261148131814263
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.6959417188783189
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.23307899278720715
+O=NN1CCC(=O)CC1,0.871074173613948
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.7634683732147884
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.869208562085021
+N#Cc1ccc(cc1)C,0.21907230390044038
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.4957256428332246
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.20350890641503647
+O=NN(c1ncn(c1C(=O)NC)C)C,0.6874044784501153
+CC(Nc1snc2c1cccc2)C,0.37202883539434184
+C=CCCC1CO1,0.7763817961055497
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.3847537886051631
+Nc1nc2c([nH]1)cccc2,0.5372079527049924
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.46734271517871534
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.3186979288002514
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.2143074537081598
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.5888968875187779
+CCCN(CCCC(=O)O)N=O,0.5978439863289144
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.19259811919989395
+OC(=O)O.[Ca+2],0.22867386574500778
+OCCCBr,0.6352211181120758
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8215365905493155
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.4309800496052258
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.7659731131639441
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.7653050248092296
+ClC(C#N)Cl,0.21379427913599108
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.18292689447275087
+OC(=O)CCC(=O)O.[Na+].[Na+],0.14692280281539769
+CCSCCOP(=S)(OC)OC,0.3175873260032347
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.18628634041040948
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.4497589843720112
+OC(=O)CCC(=O)O.[Na+],0.14692280281539769
+ClCCCl,0.5096412413904795
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.8185078869345224
+OC(c1ccccc1)CN=N#N,0.8493855717877269
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.4322479577372466
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.7670645021663375
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8538088733974447
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.5751193038983008
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8291377580642756
+O[C@@H]1OC(=O)C(=C1C)Cl,0.8628395384303886
+CC/C=C/CC/C=C/C=O,0.6787110374833786
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.14361223958561914
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8058123058868173
+CC/C=C/C,0.2893417776576612
+CSc1cc(SC)c(c(c1N)C)N,0.5346423980786619
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.7682733723271123
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.41262964106303124
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.15410678930929456
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.11208145315017304
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.6615676721692543
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.1828210320580326
+CNc1nc(C)c(c(n1)O)C,0.19988142256254432
+N1C(=O)C(=N#N)C=NC1=O,0.3466642466432386
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.5080557453197506
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.23301945393887258
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.27705529702301346
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.22528906123947717
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.2978520087548959
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.22962467714692872
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.2829397977427283
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5634237855015365
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.6990619069126867
+Nc1cnc2c(c1C)nc1n2cccc1C,0.6279672540224396
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.35769002463596555
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.7326486236215706
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.8853083610628035
+Fc1cc2cccnc2c2c1nccc2,0.715841469515502
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.35215671722553377
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.7805171633494722
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.7131535873320607
+O=CN(c1ccc(cc1)c1ccccc1)O,0.648031500222221
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.8351301452370976
+Cc1c(N)c(C)c(c(c1C)N)C,0.5010167159893162
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.2255190304991028
+C/C=C/c1cccc(c1OC)OC,0.3231956944497519
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.7913350816040784
+OC1OC(=O)C(=C1C)Cl,0.8628395384303886
+NCCNCCNCCN,0.3409127437775685
+BrCCOC(=O)C=C,0.6597325300519982
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.28414786979169526
+OC(=O)C(CC(=O)O)CC(=O)O,0.15484964377848556
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.2921602932036711
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.16823320834394204
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.15797632603923223
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.8607155247937243
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.4072785834126692
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9329933202563498
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.7039789849915495
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.18331423919221485
+c1ccc2c(c1)nc1c(c2)cccc1,0.7287176410688342
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.40975433782613896
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.151445851147428
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.1327084330800096
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.2816610483194953
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7567884157088942
+Cc1ccc(cc1C)S(=O)(=O)O,0.23512645840502586
+CC(C(=O)Nc1ccccc1)C,0.2883124524883472
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9406097428693774
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.7107396139597556
+CC(Br)(C)C,0.23038983908818378
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8392431639909517
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7289511916685958
+N[C@@H]1CCC[C@H](C1)N,0.16481241410447608
+N#CC(=Cc1ccccc1Cl)C#N,0.2112772943629087
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.7565863552624883
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.1474673046597101
+CCCCC(=C)C=O,0.34775451499435667
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.18415227996007336
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.12118887198708563
+BrCc1ccc(cc1)Br,0.15374602867897008
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9245876613388699
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6876731574496474
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.7901893984720689
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.17219914913574103
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.3123866712492354
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.533295505932655
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.5424733860731291
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12266410313867095
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.8738855133154396
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9046124999757148
+c1ccc(cc1)c1ccccc1c1ccccc1,0.7539323669319015
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.15573062935843687
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.36208661246039453
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9325480203776721
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.7031119910749786
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.8544594814512806
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.80843206655505
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.8533981507753953
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5990541833690392
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.1338995172162061
+Clc1cccc(c1)C(=O)O,0.19825747759645437
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.8260022720099713
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.20376305494626828
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.45018296904242605
+O=NN(Cc1cccc(c1)Br)C,0.7141642018499789
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.731911348473077
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.1837825610424464
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.36338552548699016
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.7910747948266755
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.6790987497309585
+ClNc1nc(NCl)nc(n1)NCl,0.19763563637977632
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5982164442325058
+OC(=O)/C=C/C=C/C(=O)O,0.3001629390180785
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8219071492232909
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.2652437895524625
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.14279691070554199
+NNc1ccccc1,0.5064028885659924
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.25942673550677964
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.43088802848526475
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.10424407273362721
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.5793754099670597
+FC(Cl)(Cl)Cl,0.23240238553588904
+C=COCC(F)(F)F,0.24665632911032528
+NCCc1c[nH]c2c1cc(O)cc2,0.39780783736182374
+OCCc1cn(c2c1cccc2)N=O,0.514928322871381
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.7019219499953359
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.7550745530906888
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.4324438528206087
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.2965120620295432
+COC(CCOC(=O)C)C,0.2619738916714149
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.7404598318456284
+Cc1cccc(c1)C(=O)Cl,0.676347671405876
+O=C/C=C/C=O,0.6341628938742422
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.22494920555473602
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.6841053918995321
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.47121084401029695
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.25188722317711426
+CCN(C(=O)c1cccc(c1)C)CC,0.24413646901335948
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.5987431393383739
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.7374280638456363
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.6215657930849362
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.6571905519989619
+Fc1ccc(c2c1nccc2)F,0.5769029083512384
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.791064868115276
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.7931744073506505
+COCCO,0.24890254265695635
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.7892567266811664
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.18266337117518247
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.21750214436366538
+Cc1cc2ccccc2c(c1)C,0.7297612596820966
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8243222232644257
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.2825314884761867
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.15251725917636835
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.7052943769228017
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.13373385656080977
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,0.20670256152049
+CN(CCN(C)C)C,0.21585453912278446
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.7438629691761975
+OC1C(O)C=Cc2c1cccn2,0.41941455189836574
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8447312905589732
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.8018992631051467
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7914551878651097
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.19665144299428133
+COc1ccc2c(c1)oc(=O)cc2CBr,0.40443971250482164
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8621221827758648
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7919644928246231
+ClC(=C)C=O,0.7171042491900551
+C[C@H](C(=O)Nc1ccccc1)Br,0.6416419739209697
+c1cc(OCC2CO2)c2c(c1)cns2,0.7828557134916035
+Cc1ccc2c(c1)nc([nH]2)N,0.4924781410485185
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.14561636092300648
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.25377598737565726
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.5589823119207492
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.11216901036817394
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.2640334473558249
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.5857173916812927
+C/C=C\C=C/C(=O)O,0.35717262671936334
+[O-][N+](=O)c1ccc(c(c1)N)C,0.8069430452582432
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.3528731452982976
+N[C@@H]1C[C@H]1c1ccccc1,0.24871520133690087
+Cc1c[nH]c(=S)[nH]c1=O,0.22694691558902727
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.44932498228688805
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.7973175659847612
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.7691011544389688
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.1461341322453677
+OS(=O)(=O)ONNCCc1ccccc1,0.3154562013901093
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.5026534369239679
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.7643392303470448
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.5025886014328095
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8743097325675699
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.8109740446077186
+C[N+]1(C)CCCCC1.[Cl-],0.17750036645735753
+Cc1nsc(c1)N.Cl,0.3868306605331332
+COc1cccc2c1nc1occc1c2OC,0.4990130754496466
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.3381536428816079
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.3489492349959456
+Oc1ccc2c(c1)nc(n2C)N,0.7203199963111103
+Oc1ccc(c(c1)O)O,0.22523878442386513
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.6006843948431709
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6911114052744068
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.33599176186556257
+CCCC[C@H](CO)CC,0.1436113589959763
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.47524155397096995
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.24730892975441293
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.5711605309323301
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.34116398518310387
+OC(=O)COc1ccc(cc1)Cl,0.17189935052176547
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.18178627095870067
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.7934270345580924
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.70551779512104
+O=C1OCC1(C)C,0.24227870195576703
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.29196782628257417
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.21830602490460885
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8494111748050626
+BrCCCCCBr,0.4820239646269254
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.40337484860061346
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8447312905589732
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8202153815844995
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.4174157339986597
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.7842268537811297
+O=C1CCCN1C,0.20019110241632457
+ONC(=O)CNC(=O)c1ccccc1,0.45372130741567884
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.7645124104755711
+P,0.23240238553588904
+CCCC[N+](=O)[O-],0.32666117621259855
+OC(=O)[C@H](O)C.[Na+],0.1779301511744317
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.2124917714735821
+COC(=O)CCl,0.4078620553135051
+Nc1ccc2c(n1)cccc2,0.6118328803448257
+ClC(=O)OCc1ccccc1,0.26980299747204467
+CCOC(=O)c1ccccc1N,0.36119131628410833
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.7232192000892301
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.7434572432192493
+O=NN1CN2CN(C1)CN(C2)N=O,0.8209407436518852
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.17076033154811462
+CCCC(=O)OCC,0.19632753952501383
+ClC(=C1C=CC(=O)O1)Cl,0.38265685354953033
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7828544010065249
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.7194648911210637
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.7998881069453899
+CCC(=O)C,0.21040619685581624
+O=C1C=C(C)C(=O)C(=C1)C,0.22627499690019995
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.8514835395716439
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.4621741266325756
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.13651095773352034
+O=NN1CCCN(CC1)N=O,0.9172756794194926
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.4477667197954546
+N#Cc1ccc(cc1)C(=O)O,0.1925669622198796
+CCN(c1ccc(cc1)N=O)CC,0.7058749201564128
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.738917397801757
+Nc1ncc2c(n1)nc[nH]2,0.3328954848288226
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.8461913552840171
+O1C[C@@H]1[C@@H]1OC1,0.7262279819965051
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.8049220648117345
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.21208948601249625
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.8196768892515094
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.32352577400716614
+OC(=O)[C@H](Br)Cl,0.18363084497367366
+CC(=O)N(c1snc2c1cccc2)C,0.4389008666556567
+OCC1OC(CC1O)n1cnc2c1ncnc2N,0.3567966969412442
+[O-][N+](=O)c1ccccc1,0.7926178233672683
+Clc1ccc(cc1)S(=O)O,0.19205024769887197
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.16362731648212056
+COc1c2ccccc2nc2c1cco2,0.5286046591999485
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.14887497978214018
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.7977091461658543
+OCc1c2ccccc2c(c2c1cccc2)C,0.7074807963279065
+Fc1cnc2c(c1)c(F)ccc2,0.5307442023878203
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.09430227691824823
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.7568182233957594
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7829572819260239
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.24767609241932295
+OCc1ccc(o1)C=O,0.3312147568864124
+OCCN=N#N,0.9237136723329109
+CCCCC#N,0.19965078691758742
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.1313602257474706
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.7782809102810879
+Clc1cccc2c1nccc2,0.40326845095118913
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.866559790557927
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.684896724139034
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.379886311612701
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.7177973689051712
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.36287327999247937
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6902228753151027
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.6221877669175255
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.8243613413775411
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.8109740446077186
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.716364921971325
+O=C1NC(=O)NC(=O)C1(O)O,0.2292116186567391
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.8583748554857401
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.7105806488201801
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.14665762114213327
+c1ccc(cc1)NNc1ccccc1,0.5073490216165172
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8107967160062678
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.2132629136776807
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.8071133762856205
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.5665944664203317
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.400844660539948
+Oc1ccc(cc1N)S(=O)(=O)C,0.4467393294151522
+O=C1NCNC(=O)N1,0.2575021164633424
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.478337461080956
+NN(C(=O)C)C(=O)C,0.304394272220449
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.45023160265898593
+CCCCN(CCC(=O)C)N=O,0.8095454866049056
+OC(=O)c1ccccc1C(=O)O,0.22195724845165526
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.7591798277423066
+ClC/C=C/Cl,0.743970289426515
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.632617065175273
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.8000675370299902
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.6648849187775465
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,0.32377533696947164
+O=C1C=Cc2c(C1=O)cccc2,0.5436866922285528
+C=CCc1ccc(c(c1)OC)O,0.21750762396564574
+CC(c1ccccc1)CN=N#N,0.8727043172280232
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8330943192646518
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.7884786345441149
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.21307918720383373
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.12185461855237546
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.8123171396576734
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.5303115226486561
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.2553903936130923
+O=CC=C(Cl)Cl,0.620680342015901
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.2928998701564969
+Clc1cc(O)c(c(c1)Cl)Cl,0.1600481346473738
+CC/N=N/O.[K+],0.5490585453483421
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,0.7640090468434653
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.7065855374434514
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.6182296884602461
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.1512513943961302
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.8609188012186797
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.2318744460656862
+C1CC2OC2CCC2C1O2,0.2200803950813174
+ONc1ccccc1c1ccccc1,0.7624371321263835
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.6619103215654843
+O/N=C/c1ccncc1,0.2971716358938939
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.1917592364034998
+ON1CN(Cl)CN(C1)Cl.[K+],0.23416846743284755
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.18389466567145069
+[C-]#[O+],0.23240238553588904
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.2857964753346631
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.8233296574102619
+CCSC(=O)Cl,0.27954129945676787
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.19222237762406755
+O=Nc1[nH]cnc1c1ccccc1,0.6378420807272707
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.8477464779826488
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.531875931493161
+NCCC#N,0.227168092629334
+O1CCC2(CC1)CO2,0.26289030791535883
+Cl[C@@H](C(F)(F)F)Br,0.17757831109296185
+OCCCCCl,0.4818969575590346
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7415067588469437
+ClCC(CCl)O,0.476029327593985
+CCCCCCCCCC[C@@H]1OC1,0.3609704614943647
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.18415207524837127
+OC(=O)C[N+](C)(C)C,0.17951753420771915
+BrCC1=C(Br)C(=O)OC1O,0.7162116691817816
+OC(=O)CCCC(=O)O,0.14303827090130558
+Nc1nccs1,0.41269781119614124
+Nc1ccccn1,0.3870070879256018
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.7277685708705486
+FC(C1=C(C=N[N]1)C(=O)O)F,0.20748701265063088
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.804503815234205
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.7179264659790061
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.22573120735148575
+SC[C@@H](C(=O)O)NC(=O)C,0.20501110515382967
+CCOC(=O)CC(C)C,0.20781645900239362
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.7092973443690466
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.21523228931513644
+O=NN1CCCC1,0.918053919184086
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.4063604752754107
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.6134893992076403
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.22889605251972828
+C[n+]1ccc(cc1)c1ccccc1,0.6251876202632338
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.8002790984397472
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.1946264085699005
+O=C1CCCCCO1,0.14508606798295434
+Cl/C=C\Cl,0.48134678925097557
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.0960449320304932
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.7518658085749599
+CN(P(=O)(N(C)C)N(C)C)C,0.2568415570180848
+CCNC(=O)CCC(C(=O)O)N,0.29677066328743296
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.14110374736065187
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.3215731394631513
+Oc1ccc2c(c1)nccc2,0.5393534374126552
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.17165406226061808
+COc1ccccc1CC1CO1,0.7869981535840784
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.1912972606359114
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.4635832581844238
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.7106093669566561
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.21342213835637305
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.14963355690773406
+CC(c1ccc(c(c1)O)C)C,0.21465338655074004
+Nc1nnc(s1)S,0.24500082936455206
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.7720085001015647
+CCN(/C(=N/O)/C=O)N=O,0.710454358259823
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.7708659000057818
+CC(=O)Nc1ccc(cc1)C(=O)O,0.30651883056812096
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.8323331329782362
+Oc1cc2ccccc2c2c1cccc2,0.7399592191635481
+Oc1ccccc1Cl,0.20239002612415344
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7261583944960408
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9097641954411498
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9424013356870151
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.1697006448002008
+NCC=C,0.26062773348781876
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.18771321896545312
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.6430817048567936
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.1808684884981535
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.9193744709519008
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.7418335796537343
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2906386097627034
+COc1cccc2c1OC1(C2(C)OO1)C,0.699991709304359
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.8216324558105064
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.43111899473342047
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.6574407104625954
+CC(CC(O)C)C,0.19205023808595165
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.22885461490311299
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.5275988942190628
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.7312283377765408
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.5941456393000906
+OC(=O)c1ccccc1,0.22048986580014404
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.6541466950242051
+CCCCCNc1snc2c1cccc2,0.3448847471953821
+ClCCl,0.23240238553588904
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.8229745125938336
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.8232431481152515
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.7121339396894355
+C(C1OC1)CC1OC1,0.6975573808231308
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.5641398889717604
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.4095345606906912
+C=C1CC(=O)O1,0.23526013751409047
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7484718241610616
+CCOS(=O)(=O)c1ccc(cc1)C,0.29778739904763135
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.24874264629361023
+CSC(/C=N\O)(C)C,0.23107461559102332
+CCN(C(=S)SCC(=C)Cl)CC,0.3258786365562659
+COC1=CC=CC=CC1,0.48587817720634074
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.7482997018039957
+OC(=O)c1c(Cl)cccc1Cl,0.19419405342956758
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.1411355573912276
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.3170099217505883
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7926611871207304
+Oc1ccc(c(c1)C)C,0.20048443842601052
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.765628880357028
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7399592191635481
+CCOc1ccc(cc1N)N,0.7153823807078507
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.6643621267485978
+CCN([N+](=NO)[O-])CC,0.3461134005910172
+OC(=O)c1ccc(cc1)C,0.19530797511859718
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.43525046967695086
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5085292226233414
+OC(=O)CCl,0.3010829809470082
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.5545724963062832
+Oc1ccc2c(c1)cccc2,0.5864993988209288
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.7949110580346174
+CCc1ccccc1O,0.26359978699054687
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.13793195333117664
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.16862065574626922
+Clc1ccccc1Cl,0.1903695701048391
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.7920704751483533
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.512504923154375
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.4527100051759075
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8071568878027492
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.16524894185829245
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.794600864936182
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.5956463663819334
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.1582818126461744
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.4051144940823067
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7029599181680138
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.6465094027800005
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.20916731150230006
+Cn1c(N)nc2c1cccc2,0.7387871631594817
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.151581179185687
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.7273667003279413
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7364148449736485
+Cn1ncc(c(c1=O)Cl)N,0.3414141682982865
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.45018296904242605
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.7598262248274055
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.616329676783445
+CCOc1cccc(c1)[N+](=O)[O-],0.7542738029137597
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.4712742754903274
+BrC1=C(Br)C(=O)OC1,0.5745693656610323
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.4869150587424584
+ONc1nc(N)nc2c1nc[nH]2,0.7973778214212811
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.7822651193230223
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.23045088350611112
+O=NN1CCC[C@@H](C1)C,0.7321540857382915
+O(Cc1ccccc1)C[C@H]1OC1,0.7977190217037626
+OC1CCN(CC1)N=O,0.8722398914783082
+O=Nc1ccc(cc1)c1ccccc1,0.7480043690526106
+CN(c1ccc(cc1)N(C)C)C,0.5235846449940487
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.760222307209786
+CN/N=N/C,0.47515610666374675
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.7956091839409475
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.6829187025642482
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.23915457589682462
+Nc1cc2cccc3c2c2c1cccc2cc3,0.7851589027777635
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.8413905789875391
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.7443716690774165
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.3001750046195941
+COc1cc(/N=N/c2ccccc2)ccc1N,0.727197085184547
+C=CCOC(=O)CC(C)C,0.21828078093383846
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.31617919518897697
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9398297428693774
+COc1ccc(cc1)N=O,0.7572136497919131
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.9343538995066715
+OCC#C,0.2336156225571751
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.7911882757145857
+CCCCCCCCCCCCCC[C@@H]1OC1,0.3609704614943647
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.2035747149319439
+Cc1ccc(cc1)OC[C@@H]1OC1,0.7696075702429607
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.410272258960334
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.582401027456712
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.6893477754664855
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.8029054638503396
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.1674720709508194
+Oc1cccc(c1C)O,0.35354299440480064
+O=C(C(=O)c1ccccc1)c1ccccc1,0.27596463276810806
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.7335677295688137
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.6116764581843329
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.3473602808597446
+[O-][N+](=O)c1ccc(c(c1)N)O,0.8010576100180277
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.8649243573004958
+Cn1c2ccccc2c2c1cccc2,0.7387054493090566
+O=C(c1ccccc1)c1ccccc1,0.529542326695847
+COc1nncc2c1cccn2,0.4590370727380982
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.4423407146175035
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.8205018608719763
+Nc1cc(Cl)c(c(c1)Cl)N,0.43363889086409346
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.20564655368436247
+CCCC[C@H]1CO1,0.3609704614943647
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.40068577462878424
+CN,0.23240238553588904
+Oc1c2ccccc2nc2c1cco2,0.5176939961733672
+OCOC(C)(C)C,0.28293769144607345
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.12513526417323034
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.18802333073363525
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.14852332595719087
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6409826582294441
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.9056736408867578
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.7648865683782308
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.7824961341716283
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.7871217297515419
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.7886927257333959
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.8252224946916563
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.8246181807662158
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.2419783188194259
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8486020173569583
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.8243040914588785
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.3542269987244109
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8008386600604691
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.23742520421498342
+[O-][n+]1ncc2c(c1)ccnc2,0.3899073620647685
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.7543320178646976
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8210857120442696
+Cc1cccc2-c3c(C(c12)C)cccc3,0.7543320178646976
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.16820057079984166
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.8169695731326728
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.2566093358765651
+ClCC[N+](C)(C)C.[Cl-],0.48764894663122826
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.08064697095776674
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.2131335837931568
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5749618479075848
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8002417697917632
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.1482762772885653
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.5748313842398952
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.2257450345790405
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7106340545891666
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.8008386600604691
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8181738698358653
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.32207842871175163
+CC(=O)OC[C@@H](CO)O,0.3320199262035258
+BrCC#C,0.2336156225571751
+OCCCCN(N=O)CC,0.8872744149815073
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.21099992291816674
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.5210399727757389
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.2652437895524625
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.8335836682607802
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.745618345890611
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.8150354144506672
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.6163819989571563
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.8364161580887696
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.6288864711484361
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.7539470749582705
+O=C/C=C/C(O)C,0.691125190494908
+Clc1ccc(cc1)S(=O)C,0.19186059252645818
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.699982095876973
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.6843034560480256
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6735951776637878
+CCCCN(CCCC)CCCC,0.16643915144584262
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.19900816392481818
+C#CCOCC[n+]1ccccc1/C=N/O,0.2425304868409133
+ClCC1=CC(=O)OC1,0.6092203194845528
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0.5523045685056295
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.13406246257957338
+CCCCCNCCCCC,0.16658165283027207
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.2268028161209026
+NC(=S)N,0.23186778890243503
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.7893199747020716
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.17571365871353856
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8008024526781398
+C=Cc1cccnc1,0.2022761211569613
+COc1cc(cc(c1O)OC)C(=O)C,0.28660377802772363
+ICI,0.23240238553588904
+COc1cc(O)nc(n1)NC(=O)N,0.12026215639550232
+OCCN1CC1,0.1966676352264662
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.6764485007493788
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.18200700066455375
+Fc1cccc2c1ccc1c2cccn1,0.7537128511740206
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.5783905510476947
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.6952498507158035
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8047546900925274
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.17404157359474653
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5056125177282491
+CNC(=O)Oc1cccc2c1cccc2,0.6227504860745772
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.11003206225077233
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.7784442908933933
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.7975379048610471
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5982164442325058
+COC(=O)C1=CCCN(C1)C,0.23389871918306834
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.8003744756468616
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.6439815792092632
+O=C(Nc1ccccc1)Nc1ccccc1,0.19384857545718864
+Nc1ccccc1S(=O)(=O)O,0.5566969731691258
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.8152774698695763
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.20880956933835254
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6783411018111511
+CC(Cc1ccc(cc1)C(=O)C)C,0.22228227998319408
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.819575302882233
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.14049880657107575
+NS(=O)(=O)c1cccc2c1nccc2,0.40354447345779026
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.8434817951109022
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4159716747217656
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.7630226360574837
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.8625361144026912
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.831034189696751
+O/N=C/c1ccccn1,0.2582867882537122
+BrCc1cccc(c1)CBr,0.3085633894493471
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.20932330243627797
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5969895471252707
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.17064427522862585
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.5146475757889856
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.18219030896107313
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.2191997356687629
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.32198749761715645
+CCCNCCC,0.22187622090794112
+n1ccc2c(c1)cnnc2,0.39087432517457243
+ClCC1=C(Cl)C(=O)OC1O,0.8999845453547461
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.1583842297015531
+[O-][N+](=O)c1c(C)cccc1C,0.728708249139455
+FC(COc1nc(N)nc(n1)N)(F)F,0.10658280895500134
+CCCCSCC[C@@H](C(=O)O)N,0.24948559895647346
+OC1C=Cc2c(C1O)nccc2,0.39024245363022775
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.6807895273787177
+CC(=O)OC(=O)C,0.27852480702769145
+BrCc1ccccc1CBr,0.32331807175980887
+O=NN(C)C,0.8422636158743371
+CCN=C=S,0.29922824457434666
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.2610373135888215
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7853570495233156
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.3852678430452815
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.19737153540275307
+FC(Br)(Cl)F,0.23240238553588904
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.11573095165640884
+O/N=C(/c1ccccc1)\N,0.289590388646701
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.7035401657444464
+S=C=Nc1cccc2c1cccc2,0.6129378026160327
+Nc1ncnc2c1ncn2Cc1ccccc1,0.6260170810752427
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.8149091182222805
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.2560283348966411
+CCCCCCCCCC(=O)O,0.15370847857870026
+N[C@@H](C(=O)O)CS,0.3098982717804515
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.678953466764657
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.7523933870241765
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.5648108102531993
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.7894701422557091
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.34526186549766924
+[O-][N+](=O)c1cccc2c1cccc2C,0.8429090769430253
+O=NN(CC(=O)C)C[C@H](O)C,0.7487235142525029
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.701167598249488
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.3692069153220872
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.1956883144023836
+ClCc1ccc(cc1)[N+](=O)[O-],0.7936863552115556
+C=Cc1ccccn1,0.2545988463576538
+CSCC(C(=O)O)N,0.2516288561709284
+C[C@@H](c1ccccc1)Br,0.26953873492170816
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.5677972881855277
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.7160861989246796
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.12465108088210651
+O=Cc1cccc(c1)c1ccccc1,0.5979964029296605
+Nc1ccccc1,0.6456273690014287
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.1837825610424464
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.30252621443416566
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7733092902598063
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.20377651149397033
+[O-][n+]1cccc2c1cccc2,0.5463305077045678
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.7997786277444927
+NCCNCCN,0.3409127437775685
+ClC[C@@H](CBr)Cl,0.6896582689611379
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.8056094866777032
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.3217309340452704
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.8381639205543172
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.6393454496516555
+Cc1ccccc1O,0.2565769078891971
+CN(C(=O)OCC)N=O,0.9113637919093429
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.45273796065027183
+O=C1NS(=O)(=O)c2c1cccc2C,0.20537229884770414
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.15609915028343505
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.1582818126461744
+COc1ccc(cc1N)C,0.5992092750690586
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.7528752577903391
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.7157002525853998
+C/C=C/c1ccc(c(c1)OC)O,0.25837745748694163
+COc1ccc(cc1)N.Cl,0.659311663648681
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.16870051852107515
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.07201566377310302
+OC(=O)c1ccccc1C(F)(F)F,0.1609185654385962
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.15370847857870026
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4144125360591194
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.7640623188519333
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.7890270676210889
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.1882831187145238
+CCC/C=N\O,0.2589877643883195
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.22925531153976159
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.16762701705691554
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.31665863791859833
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.19436775666625727
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.8018908992265309
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.27954255401457523
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8218936231974688
+Clc1cccc(c1O)Cl,0.19921642883125856
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.47569618630161925
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.690772053821202
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.8152262552738438
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.6516408238456248
+CCN(CC)N,0.3073151005356622
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.4133527354347931
+[O-][N+](=O)c1cccc2c1csn2,0.8020734874583209
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.921259750048195
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.7488582906287257
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.8553677183530196
+CCCCCO,0.1649008122756886
+OC(C(Cl)(Cl)Cl)O,0.24426209509856975
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.5020066342599814
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.8017845667517702
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.7522055386311554
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.21155083807226793
+Nc1ccccc1Cl,0.4502124964216716
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.7849242771657784
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.7737765554714992
+NC(=O)Nc1nc2c([nH]1)cccc2,0.3354886244468901
+CCNN=NCC,0.47309269555886646
+Fc1cc(F)c2c(c1)nccc2,0.5780995405640588
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.7809682305708896
+CCSCCSP(=O)(OC)OC,0.4058171525856188
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.19937562002495487
+COCCl,0.2386257208002803
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.7046956172615569
+CC(=O)Nc1ccccc1,0.3978374239188399
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.824338655338359
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.49966926241006154
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.42634689068544673
+NCC(=O)O,0.1810367112951748
+NCCc1ccc(c(c1)O)O,0.2363567506660547
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8032660862974902
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8220835300110771
+O/N=C(/c1ccc(c(c1)O)O)\N,0.2648491732711055
+O1CC1Cc1ccccc1,0.8087115462291965
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.7988477032723839
+OC(=O)c1ccccc1O,0.22267731618930983
+ClC(=O)c1ccccc1C,0.6295464943907494
+CC(O[P@@](=O)(F)C)C,0.23753156004399556
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.7738245216893803
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.8642332264064618
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.6892264768075682
+ONc1cc[n+](c2c1cccc2)[O-],0.727558601271558
+[O-][N+](=O)c1cccc2c1cccc2,0.8520378323140207
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7731004204445553
+OCCS,0.24663846597908198
+Fc1ccc2c(c1F)cccn2,0.5782453812854554
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.7455548868681459
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.39994926997365854
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.810822441753348
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.940169768687144
+CC(=O)Nc1cccc(c1)C,0.3823618740271112
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8438053135056874
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.16312890462719726
+CCCCNc1snc2c1cccc2,0.3846748091670472
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.46869202587075043
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.8086626335628873
+O=NN1CCC(=O)NC1=O,0.92397777000108
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.6944502411931814
+O=NN1CCNCC1,0.8892138839815522
+Cc1ccc(o1)C,0.23452897945554904
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6869401729489004
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.7611682690977489
+Oc1ccc2c(c1N)cccc2.Cl,0.675980096021376
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.24613590320633724
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.8298888220944658
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7728042333089618
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.2615019079768093
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.15051819270824326
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.7763126301473937
+SCc1ccccc1,0.2673042024966432
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.34372440325426096
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.37662106039917126
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.16665485775618305
+CCCNc1snc2c1cccc2,0.3685412988917153
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.8755944959527281
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.6899011933679415
+ClC[C@H](Cl)C,0.6021722022764001
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.3857614274596443
+ClCC(=O)c1ccc(cc1Cl)Cl,0.23250687342668896
+CN1CCOCC1,0.20476404656353003
+O=C1CC=C(O1)C,0.2603058664917428
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.15777066220371072
+Cc1ccc(cc1)[C@H]1OC1,0.34170913223284777
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.1392236437478077
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.09107274031497502
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.820260423339861
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0.23908099807764202
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.4236567052517921
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.7442921853315408
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.6667596839809703
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.7397301900539479
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.811974486725773
+OCCc1ccccc1[N+](=O)[O-],0.7106618602003641
+NC(=O)NO,0.2982218383405842
+Ic1cccc(c1)[N+](=O)[O-],0.7575250864392746
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.25505235034992846
+Brc1cccc(c1)c1ccccc1,0.49161316005895217
+C1CCCC1,0.18364155727972553
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.5940393772164874
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.7078508636260619
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.9077633526885031
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.6494339317547181
+ClCC(F)(F)F,0.41112375224136893
+BrC(C1=C(Br)C(=O)OC1O)Br,0.8164106245144456
+Clc1nncc2c1nccc2,0.44899080963193416
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.6701252508976945
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.7893391814787765
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7700871750718555
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.7825345416351757
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.24267235696067185
+[O-][N+](=O)[C@@H](CC)C,0.3471174500744815
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.5042780385466157
+[O-][N+](=O)[CH-]CCC,0.22176262813654712
+CCCCOC(=O)c1ccc(cc1)N,0.34108844633110935
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.29518490344039033
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.20255064942560977
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.3967865776954139
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.23417668249741966
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.27533137835181304
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.14108060880095838
+O=c1cn[nH]c(=O)[nH]1,0.3731822210487671
+OCC[N+](C)(C)C,0.2200641079626068
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.5169087368338966
+[Al]#P,0.2223889685793305
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.6065500287603338
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.5821884702404885
+OCc1ccc(cc1N)[N+](=O)[O-],0.7853337202205419
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.5136276121877567
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5697680897504193
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.8022277718602961
+C[n+]1cccc(c1)C(=O)O,0.28647123658541795
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.24588227960166686
+C[C@H](C(=O)N)Br,0.662111634886938
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.562479228197845
+Oc1cc(Cl)cc(c1)Cl,0.17333522795661369
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.8603020778353834
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.1794138766045059
+Nc1ccc(c(c1)N)Cl,0.5719374638677205
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.16942529472039286
+O=S1(=O)OCCCO1,0.5831122413971577
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.7782663533988605
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.43823122558855
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.2024403144732896
+ONc1ccc(cc1)c1ccccc1,0.7621088130590682
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.7577232965758507
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0.3705810340163223
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.24192174013179502
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.28793799901366696
+OCC(=O)CO,0.22485132862964538
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.6707237210323934
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.1584608282659796
+OCCCNP(=O)(N(CCCl)CCCl)O,0.8599534382511602
+COC(=O)C=C,0.23741865221825434
+CC(c1ccccc1)N(C)C,0.27831777122608936
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.5098618946133855
+CC(Nc1nc(N)nc(n1)Cl)C,0.15869848642996454
+Nc1sc2c(n1)cc(c(c2)C)C,0.33214856811455423
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.2189957191496049
+Oc1[nH]cnc2-c1cnn2,0.32099296312071535
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.827619700643644
+CN(CCOC(=O)C(=C)C)C,0.15844176134398133
+CC1=CC[C@@H](CC1)C(=C)C,0.09646984870616572
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.23099075164111435
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.5340764273395927
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.7755248761084452
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.5518968698785209
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.23034557606922865
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.1480265396889988
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.5487263285483633
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.41334015613330577
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7885722583198957
+C/C=C/Cl,0.4293900739227006
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.19247745272352337
+[O-][N+](=O)c1cccc2c1snc2Cl,0.7839431116049353
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8276607581552242
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.09788612081314117
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.7753599624806258
+CSCCl,0.21701843422336228
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.7845454923731632
+CCOc1ccc(cc1)N=O,0.696052157101983
+CCl,0.2223889685793305
+ONc1ccc(cc1)/N=N/c1ccccc1,0.798904504663099
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.22333353992099333
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.1886449609813118
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.7457658029577796
+CNc1ccc(cc1)/N=N/c1ccccc1,0.6739680504030585
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.4260927479345606
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.28075050501969073
+O=Cc1c(Cl)cccc1Cl,0.20245490638674588
+Clc1ccc(c(c1)O)Cl,0.1787054552484259
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.49770932382381394
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.8164648082131687
+FC(I)(F)F,0.2223889685793305
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.24116986001114651
+N1CCc2c(C1)cccc2,0.30911081763332354
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.4037777160349378
+CCCCCN(CCCCC)CCCCC,0.14828008203420195
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.7127344083846544
+On1nnc2c1cccc2,0.3696129132255092
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.5235880254929759
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.43322198713102056
+CN1CCN(CC1)C,0.22695762581272433
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.8286623951682096
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7862312621179853
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.1573409437852707
+O1CCOCCOc2c(OCCOCC1)cccc2,0.22001170456682517
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.6724233641131255
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.7105761260121909
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.1116024589940912
+Cc1ncc[nH]1,0.20934375900028343
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.5382216236739651
+C1O[C@H]1C=O,0.4217778089983965
+OCCCl,0.5260827467059662
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.6982023952146114
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.32609129499795597
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.4290810942505475
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8736034629737552
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.7083164886139677
+Nc1cc(nn1C)C1CC1,0.25097914099373797
+Nc1cccc(c1C)N,0.6420596203502726
+ClCCOC(=O)Cl,0.5297660053303005
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.16801275671919758
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.19521784231772596
+CC(Nc1nc(O)nc(n1)O)(C)C,0.17303884073619286
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.1543626104360784
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.4273371308439595
+Cc1ccccc1,0.25256524063699426
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.13426642456211746
+COC(=O)c1ccccc1N,0.3693196951032603
+[O-][N+](=O)c1ccccc1O,0.7115504578977445
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.8235109269636952
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.7360964451139852
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.11106123734722353
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.19190434949581392
+Clc1ccc2c(c1)cccn2,0.4500699594390815
+OC(=O)COc1ccccc1,0.19448026647448505
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.743833380952708
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.16246657283000768
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.797491571230696
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.5461081731406849
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.577839497929499
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.40109311983534124
+CC(=O)OCN=[N+](C)[O-],0.36598577801860394
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.23616651058723095
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.7611198548935527
+O=C1C=CC(=O)O1,0.2582871845500835
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.7821783700482008
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.25669689010962776
+[O-]P(=O)(OC)O,0.2238725129579392
+OCC(CBr)(CBr)CBr,0.5918294810647586
+CCC(CC(CC(Cl)C)Cl)Cl,0.42117733593430334
+CCOC(=O)N(CCOC(=O)C)N=O,0.8488999516083789
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.2034415872132872
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8389729044117618
+Nc1ccc(cc1)S(=O)(=O)O,0.6191691336392545
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.733433250898366
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.47006356144540407
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.7906173441923505
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.5159507063309492
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.7666557123879275
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.8322502378758834
+C1C2SCC=CN2C1=O,0.22757859281957882
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.4659826267186938
+NC(=N)N,0.34953526206084184
+CNC1Cc2cccc3c2c(C1)ccc3,0.6824209429778935
+OC(=O)c1cccc2c1nccc2,0.44528884517525097
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.16272179323599548
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.7922456615995835
+CCOP(=O)(OCC)OCC,0.2398644732707917
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.7161730794877016
+CCOCOCC,0.2542152960148075
+C/C(=N/O)/CC,0.3554820203016825
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.8123184818024413
+NCCc1c[nH]c2c1cccc2,0.4797251375273345
+ONc1ncnc2c1nc[nH]2,0.8377882056194428
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7878845577547926
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.6436166180074478
+NC(=O)CCCCC(=O)N,0.23138569525447888
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8038416955297182
+NNC(=O)CNc1ccc2c(c1)cccc2,0.6797752668933454
+ClC(c1ccccc1)(Cl)Cl,0.2795375961136032
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.14956652936508663
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.6509435461552724
+ClCCOCCCl,0.5239408608524144
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.822962912161973
+CN(c1ccccc1)C,0.5338813480804427
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.26904910370012397
+OC(=O)C(Oc1cccc2c1cccc2)C,0.4552036850542492
+Oc1ccc(c(c1)C(C)(C)C)O,0.13526188814874918
+NCCCl,0.6655395344886288
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.8015383965814639
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.887211455492595
+COC(=O)C1OC1c1ccccc1,0.2657252538376024
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.1931270846089371
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.732905807629037
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.8672291829698836
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7787624103301426
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.29336007998157604
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8084350841198981
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.6730907907878737
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.7626884928264157
+Cc1cccc(c1)N,0.6484783836752306
+CC(COC(=O)C=C)O,0.268308810528232
+CCCCCCCCCCCC[C@H]1CO1,0.3273998302924962
+ClC1CCN(CC1)N=O,0.9146848109851501
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.8214184736739293
+O=C1C=C(O)C(=O)c2c1cccc2,0.5146521041825022
+CCCCCCCCCC=C,0.1553514941484291
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.8664213551549503
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.21940803305616077
+Oc1ncnc2c1cccc2,0.5195045069469019
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.7409363726542466
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.745961261064105
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.7571680959043288
+O=C(c1ccccc1O)Oc1ccccc1,0.24060010382597122
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,0.615881303308243
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.16251374489990014
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6594195797318175
+CN(C)C,0.2229338129704601
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.742374153319695
+O=Nc1ccccc1C,0.6761632157443623
+O(CC1OC1)CCOCC1OC1,0.7826393569757947
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7620296072459607
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.10933259221307953
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.20998684186308844
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.8635734108460812
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.14743569992611755
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8107161410640834
+BrC([N+](=O)[O-])(Br)Br,0.3275904569863674
+CC(=O)CCC(=O)C,0.19240891198154567
+ClCc1ccc(cc1)F,0.2781413149337847
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.3537064456705136
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.12035528680577895
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.17702211981242247
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.5551418641115976
+N#N=Nc1nc2c([nH]1)cccc2,0.648059867300218
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.8286623951682096
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.3331649841613726
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.13533835355395316
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.7289909208751352
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.7743413181303166
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.6260439404683864
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.40807309807303954
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.13348662427651586
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.2740060361089432
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.519481549422982
+OCC(=O)N(c1ccc(cc1)Cl)O,0.22591665033259054
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7974934399462624
+COCCOC(=O)C=C,0.215185499244587
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.33675027763104015
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.25435514226521283
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.5366353543788824
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.2314562991804552
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.11589193398140088
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.7185790862979223
+ClC(C(Cl)(Cl)Cl)Cl,0.23977236381107786
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.7680570572216073
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.4147866361497067
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.16070971575020093
+CC(=O)N(c1ccccc1C)O,0.3614882747660638
+ClC(=O)c1c(Cl)cccc1Cl,0.45219834683973464
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.6265239778551328
+[O-][N+](=O)c1ccnc2c1cccc2,0.8187355672668211
+Clc1cc(Cl)nc(n1)N,0.20175676270558077
+CC(=O)OC=C,0.29023441951600376
+OC(=O)/C=C/C(=O)CC(=O)C,0.18484801775885004
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.8280749813653845
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.17113054306065442
+COC(=O)c1ccc(cc1)O,0.15389553188
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5338119051175846
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.5556517456233518
+Oc1cc2nnsc2c(c1)C(=O)O,0.20738910834351187
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.7797339226415808
+CC1OC(C)CN(C1)N=O,0.8978896014912544
+O=c1[nH]cc(cc1O)C(F)(F)F,0.14204872591306464
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.7947233481279921
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7912880142877301
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.14390335633954926
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.21560433872202414
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.14918958595819706
+O=CC(=C(C)C)Cl,0.7192615350224479
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.8181612533071504
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.12450573780362534
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.5351147138707842
+COc1nsc2c1cccc2N,0.689597694032894
+OCCOCCO,0.21499008131621664
+C=CC(=O)NCCC[N+](C)(C)C,0.23534558833836614
+Nc1cccc2c1cccn2,0.7145497686234846
+CN1CCNCC1,0.24797669141429235
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.6855578317421035
+CNC(=O)ONC(=O)NC,0.26482307130126687
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.6211637107724283
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.5035457501281512
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7024713082766935
+O=NN(CCCC(=O)c1cccnc1)C,0.7939095220650798
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8162918029791109
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.1898017800659039
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.20671870494689462
+CCCCOc1ccc(cc1)N=O,0.5160319894600713
+Clc1cc(Cl)c(cc1Cl)Cl,0.1476004432306357
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.1765905855839444
+OC(=O)O.[Na+],0.2020477847765473
+COc1ccc2c(c1)sc(n2)N,0.4470818313799331
+Cc1ccc(o1)C=O,0.3728391229774858
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.14210739665647118
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.7876861918336476
+OCc1c2ccccc2cc2c1cccc2,0.7754379809147564
+Nc1ccc(cc1)Cl,0.48350351332263986
+CC(OOC(C)(C)C)(C)C,0.229380220818256
+CC(NC(C)C)C,0.19218910668449196
+NNC(=O)c1ccncc1,0.2573830898028971
+Cc1cc2cccnc2c(c1)C(=O)O,0.5040588235177762
+ONC(=O)Cc1cn(cn1)N=O,0.3878729058090812
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.271374530942382
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.6940328162080969
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.43675292992592557
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.1405949030458398
+CNC(=O)ON.Cl,0.28962908553515365
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.8282746337635284
+NC(=O)c1cnccc1C(F)(F)F,0.10327909198575487
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.12134285953932261
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.2775548912422716
+CCCCN(CCCCO)N=O,0.754373367345683
+CCN(C(=O)N)N=O,0.925675494300666
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7978754296671403
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.12749034478249952
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.5646666174238315
+C1CCO1,0.22205005657267066
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2861423510167
+C1CCCCCC2C(CCCC1)O2,0.17002241558879796
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7787633740908463
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.1476378278249281
+CCC/C=C/C=O,0.5569391852037726
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.7287206339759872
+ClCCNC(=O)N(CCCl)N=O,0.917206863318664
+Nc1ccc(cc1)c1ccc(cc1)N,0.7161730794877016
+Fc1ccc2c(c1)sc(n2)O,0.4896414585332755
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.841437471461671
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.827255550110511
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6145079224751008
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.6851785571455552
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.8165943275355414
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.7978403331170099
+COCCOCCOC,0.22522190454035582
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.824926034594813
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.7267507357726998
+O=CC=C(C)C,0.57492126393526
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.39786222422935136
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.7423511863793756
+C[C@@H]1O[C@H]1c1ccccc1,0.47257342935618324
+OC(C(F)(F)F)C(F)(F)F,0.17638793715893783
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.20331662132203185
+CC(CCCCCCCOC(=O)C(=C)C)C,0.12603651482674982
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.21157173578977928
+CCc1nccc(c1)C(=S)N,0.2023629963334799
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.12643065988815166
+Nc1nc(O)c2c(n1)nn[nH]2,0.18705922576585754
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.20089113940220765
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.17705581562098066
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.7919950803018704
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.17240557004467102
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.8004194071565583
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.6950711666846292
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,0.18118849501493256
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.24070551142854077
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.6893630477277461
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.337663096359407
+NC(C(=O)O)CSC(C(F)F)(F)F,0.26428416054035975
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.148559648365899
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.17938455972339976
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.7784195815521331
+OCCNCCO,0.2656264951493609
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.21002835276568274
+Cc1cc(C)nc(n1)N,0.19492817564945156
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.7547839005040248
+NCN,0.2223889685793305
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.1427187599669107
+CC(C(O)C)O,0.21312012172540856
+OC(=O)c1ccccc1N,0.4652112025676832
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.2568898194785125
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.17432374674753598
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.25694005832644384
+OC(=O)/C=C/Cl,0.28974008664293743
+BrC(=C)C(=O)O,0.44902693219502904
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.6072026470024352
+Cc1ccc(c(c1)C)O,0.20186794867239122
+Nc1nc2c(s1)ccc1c2cccn1,0.6604849378157699
+C1CN2CCN1CC2,0.2084368223028532
+CSC(=O)c1cccc2c1snn2,0.38892035935200076
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.49786712369781294
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.24643344813986698
+CC(=O)OCc1ccccc1,0.3807510794295348
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.7760781044592573
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.190495540816977
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.844790917788992
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.24188419902713482
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.3204487829323682
+NNS(=O)(=O)c1ccc(cc1)C,0.20039171356651128
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.6442279419685195
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.3217444589212252
+O=C1CCCC=C1,0.29997424244301935
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.5048742067838415
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.20531714409936053
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.4292097605024834
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.5834988695424627
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.628766416523827
+Cl[C@H]1O[C@H]1CBr,0.6771619975306594
+O=C1NC(=O)C(=C1Cl)Cl,0.5078663110205252
+Oc1nc2c(C)cccc2nc1O,0.5485223703226465
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.579048927273845
+FC(C(Cl)(F)F)(Cl)F,0.21959169723819422
+NC1c2ccccc2-c2c1cccc2,0.6850966789872257
+CN(Cc1ccccc1)C,0.3430079468842726
+CC(=CC1C(C1(C)C)C(=O)O)C,0.1889643934665461
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.3186660909798432
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.1646295382952827
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.14842258543312312
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.7802625365911585
+Nc1cnc2c(c1)nc1n2cccc1,0.651104975832353
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.09767597544434065
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.662961000909782
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.1802772786245911
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.5871352671297116
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.1535501641642608
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.20573542940989706
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.7651680337962128
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.5386244715310023
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.6689992633314265
+CN1CCC(=CC1)c1ccccc1,0.27658493204722057
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.1867158343561602
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.508437793999124
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.47911643743775706
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.18988618464248128
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.8282746337635284
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.7572892085006212
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.14335096057262803
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.28737293641229866
+COc1cccc2c1nc(s2)N,0.3222635081133471
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.7922325241176406
+c1ccc2c(n1)c1[nH]ccc1cc2,0.6177089253640845
+CC(=O)Nc1cccc(c1)O,0.34992625864207233
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.210740020583955
+ONc1cc(C)ccc1C,0.7671497089895714
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.25567376494147037
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.7618948726426321
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.8449253897476965
+CC(=O)Oc1ccccc1C(=O)O,0.23931694399466763
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.32982995948380806
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.5937416921433191
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8306888730715803
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.7220702361152155
+CN(C(=N)N(C)C)C,0.34953526206084184
+OC(=O)C(F)(F)F,0.18404266258278976
+CCCCN=NC(OO)(C)C,0.4089150187073758
+O=NN(CC(=O)COC(=O)C)C,0.7996682867262277
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.7434208397273327
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.7498981117753528
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.1630009382642462
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.816494141625377
+CC(=O)CCOOCCC(=O)C,0.18320464981272402
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.15716824510536387
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.5347363287368739
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.18203247802757538
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.7305508969513564
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.476983040194837
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.29703603731563744
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.8223034349383722
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.2701515771421769
+Fc1ccc(c2c1ccc1c2nccc1)F,0.6259934199834778
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.2788629460273482
+OC(=O)c1cnccc1C(F)(F)F,0.11332544211184176
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.13220059132436524
+Cc1ccc(c(c1)O)O,0.21740298830311255
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.7451157810230965
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.862999801089184
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.2319045528319084
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.8670370260872324
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.6235409983228207
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.8117488350738381
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.73689236558412
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.5516708251562243
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.4985756059226925
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.16102678454566904
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.5694584236548657
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6406013994226497
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.503886927965158
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8824923605371423
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.14202103770744395
+Clc1cncc(c1)Cl,0.1648637427999711
+C[C@@]1(CO1)[C@H]1CO1,0.7263513584657854
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.39673181161240645
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.8130337606803182
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.12191357567106864
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.7201385137591853
+Cc1c(C)ccc(c1C)C,0.2180319790262353
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.49770932382381394
+Cc1ccc(cc1)C(C)(C)C,0.13762946075732735
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.8022099747304345
+Nc1cccc(c1)c1ccccc1,0.7469170842077366
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.7833879998013115
+CCCCN(C(=O)N)N=O,0.7012277673161792
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.272211620647143
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.7972067588982246
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.5718519053864481
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.26775598950914253
+Clc1cccc(c1NC1=NCCN1)Cl,0.2038729187796434
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.7368365513247159
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.5653985611392456
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.608925525351666
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.7741406825182253
+CCCCN(CCO)N=O,0.7780402644295804
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.7345084788356808
+ONc1cc(ccc1C)[N+](=O)[O-],0.7921490104770131
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.4460830188878389
+ClC([C@H]1OC1)(Cl)Cl,0.7532268821351203
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.1330506210337707
+BrCBr,0.2223889685793305
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.18482939292388784
+Nc1cccc(n1)N,0.338592496370821
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.817245966667026
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.7214980357601849
+NC(=O)CBr,0.28805281852470754
+Clc1nc2ccccc2nc1Cl,0.43585492724486996
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.8853670123858752
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.5278789189066627
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.2767414173916018
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.14438417141558035
+ONc1ccc(cc1)[N+](=O)[O-],0.795873041547102
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.35588151659310224
+O(Cc1ccccc1)CC1OC1,0.8086613222014981
+CCN(C(=N)N[N+](=O)[O-])N=O,0.7990034986963891
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.6954060737348028
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.3902511441381625
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.17758938998962373
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.7071846968712024
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.8803304389939343
+CN1CCN=N1,0.5438307095122068
+CCCCOO,0.34247880772286116
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.20426007783893887
+CC(=O)OCc1ccc2c(c1)OCO2,0.3902700980533216
+Cl[C@@H]1CO1,0.22540750968990872
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.5943797001868037
+BrCC(CBr)Br,0.7204723706999437
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.7851970421529891
+CC[S@@](=O)CCSP(=O)(OC)OC,0.32131348966269047
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.5684582559672093
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.7119832011965908
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.794710268736657
+CN1C=CN(C1/C=N/O)CCOCC#C,0.26761100145599925
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.7581150432399182
+Clc1ccc(c(c1)Cl)N,0.3952713950236386
+Cc1cccnc1,0.19123537831767504
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7237795812307674
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6509435461552724
+COc1cccc(c1)[N+](=O)[O-],0.7796813906010404
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.7462837842421797
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8261221429669726
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.823906956428079
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.6813251917007035
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.7676607992515386
+COc1cc(Cl)nnc1c1ccccc1,0.469328766266805
+CN(N=Nc1ccccc1)C,0.7036666126658649
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.5744837259624013
+NCCNCC,0.3746365818057143
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.11811517394237211
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.22203451313378594
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.18274968705085148
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.6609168814771301
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.25910124231426396
+CCN1CCOCC1,0.1797519157387141
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.6224380088517412
+O=C/C=C/c1ccccc1Cl,0.3090430086725197
+Nc1cccc2c1nccc2,0.6379019529687932
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.5464879597045096
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.8177045036628046
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.3950527248731322
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.783062754914018
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.3794661547420966
+CCN(N=O)CC,0.8851718838855458
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9183823727189669
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.781152731133124
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.25257703652366215
+Sc1ncnc2c1[nH]cn2,0.5601659624335628
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9207233184532245
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.16261480715064588
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.6402888296023257
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6055785138981032
+[O-][n+]1ncc2c(c1)cccn2,0.4761081002036961
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0.22349379577125575
+CCN(N(N=O)O)CC,0.3725384720007314
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.6526432731238374
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.21683494423486446
+O1CC1,0.2140748572555169
+COc1cccc(c1)N,0.6806042240318181
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.38115724318098054
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.8572041698198283
+Cc1nccnc1C,0.18890420879062633
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.18067963456918132
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.6233156656862157
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.2287952238032535
+N#CC(N=NC(C#N)(C)C)(C)C,0.21514645488238615
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7160324566131323
+CCN(c1ccc(cc1)N)CC,0.6799362358992304
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.875386773615776
+CCCCCC(=O)O,0.14495861865487608
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.5909995172216778
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.7765873354874672
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.7479813574090486
+CC[Si](CC)(Cl)Cl,0.2223889685793305
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.2711551937179013
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.1533443602425004
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.2141453540733332
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.10161132904064711
+CCCSSCC=C,0.22545697165012865
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.7270127317784593
+CCC(Nc1snc2c1cccc2)C,0.3711729225204444
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.28940249333768775
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.17985729054758814
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8159544497641917
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.5871352671297116
+O=NN1CCCCCC1,0.7998806765652701
+CCCCOc1ccc(cc1)CC(=O)NO,0.23851573132410772
+CCCCOCCO,0.1744006601138569
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.8493851130408856
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.48628816435433037
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.7971201742721439
+NNc1ccccc1[N+](=O)[O-],0.7554885250743602
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.1464323292523189
+CCCCC,0.15403552095300282
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.8294681551971933
+N[C@H](C(=O)O)CSCc1ccccc1,0.258970007570477
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.7486336430381825
+CCCCCC(=O)OCC=C,0.14767626623822155
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.49288333621442754
+C=Cc1ccc(cc1)[N+](=O)[O-],0.7937012887787323
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.6171694948623064
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.29389247367290666
+NNC(=O)N,0.2803999948136306
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8079610108804068
+Nc1ccc2c(c1)ccc1c2cccc1,0.7853579040314296
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.5840374584102386
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.42152991635905135
+O=C/C=C\c1ccccc1,0.5077145083499696
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.8168360437299494
+C=Cc1ccccc1C=C,0.2537496841487705
+O=S1(=O)CCCC1,0.22506964501394502
+CC(CC(=O)Nc1ccc(cc1)O)O,0.22555769644446036
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.7348670630856997
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6342754997575003
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.8590461603050469
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.6832686918966427
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.7584109474140527
+Fc1ccc2c(c1)sc(n2)C(O)C,0.4752206482593683
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.34380465614377925
+Cc1ccc(c(c1)O)C(C)C,0.2185297253481018
+C=CCNCC=C,0.22376647941353892
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.737107529781367
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.596806677226181
+CC(=O)/C=C/c1ccco1,0.33134303360354944
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.6567500924124764
+COc1ccc(c(c1)OC)N,0.7101255810583071
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.7255445370532028
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.21766518890625874
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7631221428308707
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.755482686544405
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.6100463422381116
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.5364120148916
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.6489005009187
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.1716394556336072
+Cc1ccc(cc1)C,0.22134425780080283
+[O-][N+](=O)c1c(N)cccc1O,0.7364081057973204
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.19439631624010262
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5265859322033619
+ClCBr,0.2223889685793305
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.19273729652924612
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.5276974102636074
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.75094761575773
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.6947147970940104
+OCC(C1OC(=O)C(=C1O)O)O,0.23631080283119402
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8035108783836504
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.15692097508828132
+Cc1ccc(cc1)C(N)C,0.2463495981449323
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.799253542477076
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.15231805662452227
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.7772197843834227
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.7637800708541761
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.6253092297097829
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6797220163946686
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.795763208967652
+Cc1ccc(cc1)C(O)(C)C,0.2991591720502147
+NC1CC(C)(C)N(C(C1)(C)C)O,0.20328242004766064
+CCCCN(CC[C@H](O)C)N=O,0.7481658776920237
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.5590072246140467
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.4577298908756138
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8433278315860218
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.40926194834704066
+OC(=O)c1ccccc1Cl,0.1894525542709905
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.5418584311394063
+OC(=O)C[C@@H](C(=O)O)C,0.15331840067587074
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.7693272030361069
+CNNC,0.22842772957222557
+Oc1cnnc(n1)O,0.19900361325655508
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7988684553407048
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.16861623660566433
+Cc1ccc2c(c1)nccc2,0.5738951382956287
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.28059338785959254
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.7226099755748236
+CCCCN(COC(=O)C)N=O,0.7186062668725853
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.845745702149154
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.6998166098662097
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.5364928814246421
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.5236109499238295
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.8051804379142753
+CC1(C)C2CC3C(C1C2)(C)O3,0.15417221102695333
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.18265568585727157
+O=CN(c1ccc2c(c1)cccc2)O,0.6405312084046328
+Cl[Cu]Cl,0.2223889685793305
+COC1OC1(C)C,0.3011953115923629
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.7678695835613071
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.1973199207802347
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7525707054897066
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.1566450152064919
+Clc1ccc(cc1)[N+](=O)[O-],0.6404496743388991
+CCC(=O)Nc1snc2c1cccc2,0.45421722425752753
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.25397144957637174
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.792155546030831
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.22798301218406336
+OC1C=CC=CC1O,0.2973595105851861
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.8150436225197197
+CCCCc1c(=O)nc([nH]c1C)NCC,0.2044143518828507
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.7331715954138776
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.42331940586626177
+BrCC#N,0.23102235574043142
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.3646706196193975
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.6267001136851772
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.8144112037147251
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.2568555706350521
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.2647780114412566
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.659699941106334
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.4765090960737224
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.7270453447923866
+COc1ccccc1c1ccccc1,0.6026865768250079
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.7964687669066642
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.1550952903882463
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.17422359764042972
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.5014953051081582
+Nc1cccc2c1cc1ccccc1c2,0.7727250070889821
+NN1C(=O)c2c(C1=O)cccc2,0.2753388998337045
+CCOC(=O)CC(=O)C,0.19256474181957628
+COC(=O)CC(=O)OC,0.2541629510390518
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.7756290167130557
+CNC(=O)Nc1ccc(cc1)Br,0.12188772776602008
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.38219054144927234
+CC(=O)Nc1cccc2c1nccc2,0.5739036242715597
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.7749094510048724
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.49972301349492465
+CCC1OC1c1ccccc1,0.296490558748969
+O1CCOCCOCCOCC1,0.2140748572555169
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7650289525464758
+CC(CO)Cl,0.5767562145663893
+N#N=NCCC(C(=O)O)N,0.7685836510591247
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.5638369650619103
+N[C@@H](C(=O)O)Cc1ccccc1,0.24329058663103317
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.47283384353785096
+Cn1c(N)nc2c1c1cccnc1cc2,0.7574863189877926
+OC(=O)c1c(N)cccc1N,0.4839961248175932
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.16610673907250442
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.6469703685031062
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8252361827128935
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.2287655583463347
+CCCCOP(=O)(OCCCC)OCCCC,0.18655108427213848
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9282349043492054
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.7846667889081315
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.18515482853290027
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.16931282801340805
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.7295942661724004
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.37191559264372265
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.47434764353708986
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.1619273041915086
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.3756264355421036
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.3017871873495101
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.288286837468215
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.1587855954264369
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8276607581552242
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.7571680959043288
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8088794059428779
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.22744090751930449
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8516487303342085
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.21943821308361328
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.7820150468703005
+O/N=C/C(=O)Nc1ccccc1,0.26629707757821586
+ClN1C2C1c1ccccc1-c1c2cccc1,0.7631617335547503
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.13288111330174587
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.7298112008613403
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7658484866172927
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.49699109699745014
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.4990907001979163
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.4248151061025107
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.7410511821149619
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,0.5408806509445355
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.775263970980198
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.19865125421743676
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.29762333615074654
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.2007589528289285
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.8173970838329805
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.5995883785047755
+COP(=O)(O)O,0.2276343978391114
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.38395772539099904
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8500908450215663
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.4652122109565054
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.23607057642478446
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.11068813886936871
+C[C@H](CO)Cl,0.49860824846377816
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.5003080732993541
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.2895457452205703
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.5179363187672171
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7332119746214235
+CNc1c(C)cc2c(c1N)cccn2,0.6726103610869133
+OC1COC(=C(C1=O)O)C,0.3366466197123843
+Cc1ccc2c(n1)cccc2,0.5042129164738746
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8365621973892788
+Clc1cccc2c1cccn2,0.4532970117053232
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.8253079220353339
+COc1cc(CCC(=O)C)ccc1O,0.23419541931923282
+[O-]P(=O)=O.[Na+].[Na+],0.20360145837586094
+Cc1nsc(c1)N,0.32552747677497174
+Oc1nncc2c1cccc2,0.4706301558221624
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.6142694745004864
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.1419601803219123
+Clc1ccc(c(n1)C(=O)O)Cl,0.1803802910756636
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.858362624616188
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.7360611521447418
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.696388862007014
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.8025583967276819
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.6199214113779724
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.16730348483534396
+CCOC(=O)CNC(=O)[C@H](Br)C,0.6576142703204177
+NC(=O)Nc1ccc(cc1)C,0.18218436156470905
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.8056959487713324
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0.2869538028285534
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.18032159498332642
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.17717979947525617
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.1448614384618444
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,0.1099326432706396
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7400571542182534
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.6392664138680844
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8044521967868632
+CCC(C)(C)C,0.15265903785783114
+CCCCCCCCCCCCCCCC(=O)O,0.15669042857126642
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.5099544517870033
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.16458080390278948
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.8062417861266655
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.7026807011282826
+ClCCOP(OCCCl)OCCCl,0.4823314769647846
+Nc1ccccc1S,0.5920122860498778
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.779073112413811
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0.18074749153865818
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.2810882350800859
+COc1cc(C=O)ccc1OC,0.22704178885899062
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.3790907610839094
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.8448387388340269
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.8235430161873021
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.23099361306729976
+COc1ccc(cc1)C=C,0.23831858256865115
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.6994688861358251
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.38198386465691386
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.19846044812294342
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9398957522415904
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.21321641412783135
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.17501762336611476
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.1488165965246685
+Cn1c(N)nc2c1cc1cnccc1n2,0.5825035890830047
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7078180097063469
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.22820699199619016
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.222493973095993
+CC(CCOC(=O)C)C,0.2559707563334383
+O=NN1CCC[C@@H](C1)O,0.8251929876432147
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.47613870041305295
+CC(C(C)C)C,0.20126006981446576
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.7778015098908826
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.24595755575979644
+CN(N=O)CCCC,0.7610190199491624
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.747746302780436
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.15685101542943905
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.16380169533947597
+ClC(Br)(Cl)Cl,0.22144826917552948
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.8714986854654058
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.11839893359201746
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.8438159243572568
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.5610796055139246
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.8934546176185472
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.7521692993209609
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.7716642600514014
+Clc1ccc(c(c1)C(=O)O)Cl,0.18584898824643925
+O=NN1CSCC1,0.7917871697870215
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.7801357909602936
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.8037213654072454
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.3136798918509102
+C/C(=C\C=O)/Cl,0.5502606333194018
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.850717998819548
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.15741393271687468
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.8265258543520858
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.13748563696308636
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.7916946001854167
+Nc1cc2nc3ccccc3nc2cc1N,0.7375007334177205
+CC(N)C,0.20508008851763557
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.8307851849672941
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9192320583708656
+N#CC1(O)CCCCC1,0.1787883426463557
+ClCc1c2ccccc2cc2c1cccc2,0.771062076318665
+OC(=O)c1ccco1,0.23438652409376967
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.5322393710265213
+C=CC=O,0.5291508809014429
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.596172779933357
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.4597748666994072
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.6563084179192732
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.8495331290291437
+ClCc1ccc(cc1)C,0.24263041876970523
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.34987885400568947
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.6660084868182607
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.4919815782300001
+CCCC[C@H](COCCCN)CC,0.16529434351789946
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.5031372234270346
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.7815613801654905
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.8173823261263098
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.479524698074969
+CCCCCCCCCCCCN(N=O)C,0.659646994822979
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.2379929931926818
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.8289505036790137
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.44607717578054396
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.688028494786105
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.20922174242825278
+ClCC(Cl)Cl,0.4492243022383428
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.26247521780090405
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.8349226888989807
+CN1CCC=C2C1CCc1c2nc(s1)N,0.2731888679260809
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.22065963583930676
+ClCC#N,0.2127723788205218
+C=Cc1ccc(cc1)N,0.6286867897348266
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.3221933576649718
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5048408745178146
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.4513453881892256
+CN(C(=S)SSC(=S)N(C)C)C,0.24855820417461016
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.16853547331004937
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.16643768439385032
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.7514444955303615
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.23450639046496874
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.7295782551871868
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.3259505292928105
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.6686744638267409
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8714275857915927
+C1CCC2C(C1)c1ccccc1C=C2,0.3093903162430603
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.1620407525214016
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.8566540428816629
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.36404989880694444
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.6250350019985462
+N#N=NCC(C(C(C(CO)O)O)O)O,0.8960531173180525
+[O-][N+](=O)CCO,0.33133184492620216
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8379675029552034
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8088521768394119
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.0731655783396821
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.2404981861516946
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7762693703185762
+CCOP(=S)(SCCl)OCC,0.22078955832045477
+Oc1ccccc1c1ccccc1,0.5899380013975491
+Clc1nnc(c(c1)O)c1ccccc1,0.438874044885828
+COc1cccc(c1O)C=O,0.28641435975867885
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6240061508060297
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.2713659884535466
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.8060321328644673
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.5150046807319746
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.7763822273493934
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.23411766374492937
+Cc1ccccc1Cl,0.19696889208928653
+O=N#Cc1cc(C)cc(c1)C#N=O,0.21813046763154545
+NC(=O)c1ccccc1C(F)(F)F,0.1415778623565904
+C/C=C/c1ccc(cc1OC)OC,0.4053790659055405
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.4161650615426812
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.8481351070141223
+C=CN=Nc1ccccc1,0.5172318378231838
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.1390230711237797
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9171779444180876
+CCN(c1ccc(c(c1)O)N=O)CC,0.6932260045963746
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.8416166299347495
+Oc1ccc(cc1)C(=O)O,0.17496765934596933
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.8444729145684886
+OC/C(=C(/CO)\Br)/Br,0.3118235748579422
+NC(=O)Cc1cccc2c1cccc2,0.6661344814375487
+c1nccs1,0.3691970119574783
+CC(=O)c1ccco1,0.25456346929825663
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.1578886921317081
+CSCNc1ccccc1,0.4692904392079261
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7402645307676263
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.5932445883303847
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.8589744133943977
+N[C@H](C(=O)O)CS/C=C/Cl,0.4553327851130835
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.8160271998803823
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.1991024699381359
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.16684716136726538
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.5331913967342694
+C[N+](Cc1ccccc1)(C)C,0.2434254307299272
+COC(=O)C1=CCCN(C1)N=O,0.777532197556863
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.4254051616836783
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.3271677184265378
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.7716816655682178
+ClCC(=O)Nc1c(CC)cccc1CC,0.3767419637763169
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.8162504285369205
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.865233688140557
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.15452535748017182
+COP(=O)(SC)OC,0.2647117673241032
+Clc1cnc2c(c1)cccc2,0.5035222192090346
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.11068434734149508
+COC(=O)Nc1nc2c([nH]1)cccc2,0.41085928855153725
+O=C=Nc1ccc(c(c1)N=C=O)C,0.41594912296174785
+CCCCNCC,0.1939782409834474
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.16112911352480297
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.6969351194904394
+Nc1ccccc1c1ccccc1.Cl,0.7271501992796219
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.7134971926294458
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.17719447337482785
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.23071440686525044
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.18407700929432227
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.3791314558798189
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.2259858786038835
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.25462482935104214
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.7245316022078837
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.11159631453788058
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7693746521403741
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.7227586148991608
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.1915397083359062
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.3404388109011908
+N=C(NC(=N)N)NCCc1ccccc1,0.3147216814319301
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.7744435575740901
+COO,0.5113880339152845
+Nc1ncn[nH]1,0.18745094564306172
+Cc1ccc2c(c1)c(N)sn2,0.4435392448791701
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.8735052310232635
+NNc1nncc2c1cncc2,0.5140569768408456
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.1544391357812032
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.42405234506873096
+Fc1ccc2c(c1)c1ncccc1cc2,0.6747314627552042
+CC(=C)C(=O)OCCO,0.19608790021560818
+NC(=O)c1ccccc1,0.25538287040230334
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.660642333788433
+ClCC(C(=C)Cl)Cl,0.4817825618643273
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.28860133775537483
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.8308462291392719
+Clc1cc(Cl)c2c(c1O)nccc2,0.33620058880457504
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.22609226203639965
+ClCC(CCl)Br,0.5147957914883449
+N#Cc1cccc2c1nccc2,0.49446907837869425
+O=C1CCCCCN1,0.17939812477648384
+CC(Cl)(Cl)C,0.21807481329108064
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.3976034264147683
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.7494839229838808
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.47644914013464323
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.36562098924706116
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.9201352498747357
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.8870386906741345
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.14910829871896733
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.5090388289829112
+CNC(=O)N(C(=O)NC)O,0.26389601604206153
+O=CC1=CCCC2(C1(C=O)C2)C,0.5490864280837395
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.36075267704410635
+Clc1cccc(c1)Br,0.19094410988199767
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.1612867619108644
+Nc1c2ccccc2cc2c1cccc2,0.7485963114837768
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.853852710067975
+CCCCCCCCCCC,0.16319676887376275
+CCCN(CCC)CCC,0.1839099506461675
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.14216530431729615
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.20497200983477085
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.6226865013259786
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.2459937273145991
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.5635487039810254
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.16455995367861947
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.6375336333303634
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6663458932090277
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.8890666342176189
+CC[n+]1c2ccccc2nc2c1cccc2,0.7329840231983441
+CC(=O)ON(c1ccccc1C)C(=O)C,0.5130767499429715
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.17670688475525617
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.37541737530090474
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.6372709499293113
+O=NN(C(=O)C)C,0.912902031087555
+CNC(=O)NC,0.2715056358944281
+CCOC(=O)C,0.3451381880173372
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.12694972784986658
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.23099361306729976
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.2310821702455658
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.1619564769621696
+c1ccc2c(c1)[nH]cn2,0.46108106776733837
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.5926621037831956
+[O-]P([O-])[O-].[K+].[K+].[K+],0.2232747820692304
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.14634136549012122
+N#Cc1ccccc1C,0.24115339774170974
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.7959393397944265
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.22574748959368643
+OC(=O)C(=O)O,0.1960405978576334
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.39295705014379745
+CN(C(=O)C#N)C,0.2068585540090214
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.2688200490351737
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.20609687409023392
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6950372446803936
+OC(=O)Cc1ccccc1Cl,0.18279889509711011
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.21013650431623196
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.2065205431945096
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4306813230262772
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.8243760114234692
+O=NN(Cc1ccccc1)Cc1ccccc1,0.7592594847718841
+CCCC(=O)OC1CCCCC1,0.16184953059646282
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7924324729210701
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.18150834353029074
+CN=C=O,0.22303166646189426
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.844731485130667
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8315264278360699
+CCCCCC(/C=C/C=O)O,0.33109096585834796
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.23599460750866533
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.35350897273341686
+OC(=O)O.N,0.22083968533737652
+CC(=O)C(=O)C,0.22450581501458142
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6768009440579156
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.7986054713886831
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.9192079206259661
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.5319489368952075
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.6221108304341851
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.8348626956785804
+CC/C=C/[C@H](C=O)CC,0.2544936156094947
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.4149553623420815
+FC(OC(C(Cl)F)(F)F)F,0.22119603036955934
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.5161553431207428
+OCc1ccc(cc1)C,0.21606695292166506
+OCC1CC1,0.17661008411346013
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.743549197796467
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.3638200624578014
+OCC(C(CO)O)O,0.39474481311726933
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.5072988630887523
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.826128153771145
+BrCCBr,0.61630894779038
+N#Cc1cccc(c1)C,0.2385163001006
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8281099007837138
+CC(=O)C,0.1898871283703152
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.15615016505233326
+O=NN1CCNC1=O,0.9332793944811955
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.7860670363096499
+COc1ccc(cc1)C1OC1C,0.37053498452093786
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.36478043903113505
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.30454739653524643
+COC(=O)C,0.39121240681979613
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.7748002982914817
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.3038168170632474
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.18421318714210405
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.23594344664730837
+C1C[N@@]2CC[N@]1CC2,0.21481216355519042
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.7189874717412946
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.7866372807505345
+CCN(c1ccccc1)N,0.4652152245910221
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.5687288660920236
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.8245539289565341
+Nc1ccc2c(c1)oc1c2cccc1,0.6499496486436794
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.46596543422338843
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.0914605453176963
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.753839061121038
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.272810422462884
+[O-][N+](=O)c1ccc(c(c1)N)N,0.8190362953248869
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.1720833791285574
+CC(=O)NNC(=O)c1ccccn1,0.29091860873943215
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7777988075046296
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.2688010822717278
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.3749474841172693
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.759289514668792
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.3083520820765245
+ONc1cccc2c1cccc2,0.7430286044007375
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.5427135276741557
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.29708283779812
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.8301481812393868
+CCS(=O)CCSP(=O)(OC)OC,0.354629769069423
+Clc1ccc(c(c1Cl)O)Cl,0.17190629699888907
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.15597377844967653
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7016795732290898
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.2551072070753996
+N#Cc1ccccc1C#N,0.24340301041608567
+OCCn1c(CO)ncc1[N+](=O)[O-],0.8236516427248682
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.763477527824834
+O=Cc1ccccc1O,0.2606569839718985
+[O-][N+](=O)c1cc2ccccc2cc1C,0.8058015898465403
+Cc1cc(C)c(cc1C)C,0.2183432414065756
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.2688200490351737
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4457774998058158
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.6032870039171758
+CCOC(=O)c1cccc2c1nccc2,0.38553685446873376
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.7554255304433319
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7888544967346324
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.805427758268585
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.25415194863482377
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.7219872548455952
+ClCCN([P@](=O)(O)N)CCCl,0.8445769220727701
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.24468737031054832
+OC(=O)/C=C/c1ccc(cc1)N,0.6001279729181435
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.1842184815664414
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.13628385967985546
+O=Nc1cccc(c1C)[N+](=O)[O-],0.7714749909479157
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.759562444612309
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0.5792272863176069
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.27281479179085893
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.7514623754496773
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.7874923842096071
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.16328945269180115
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.6901078350751003
+ONC(=O)c1ccccc1,0.5183118793792748
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,0.18468754163592407
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.8455857056988585
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.726867085803145
+Nc1ccc(cc1)[N+](=O)[O-],0.7919333797748475
+COc1cc(C=O)ccc1O,0.22286434489206775
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.6934010591348242
+O=C/C(=C(/C(=O)O)\Br)/Br,0.5478629394402537
+CC(CCNc1snc2c1cccc2)C,0.32764224509407497
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.6982724681328549
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.20425480332365828
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.28015297596258676
+c1ccc2c(c1)scn2,0.39571299601973614
+c1ccc2c(c1)cnc1c2cccc1,0.7255688751436556
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.6399709545407704
+CCCCCCCCCCCCCC(=O)O,0.15669042857126642
+O=NN1CCO[C@H](C1)O,0.8887513699799034
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.5473165578037784
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.10001192588496116
+O=CC(=O)O,0.43681829364251684
+CCCCN(C[C@@H](CCO)O)N=O,0.77297640187208
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.21194049455152109
+OC(=O)c1ccc(cc1)C(=O)O,0.18260220869674548
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.23047882273460876
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.7976800506015722
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.7634991679654332
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.14241604764429067
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.8298103404717221
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.30900427523316376
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.8235430161873021
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0.1714671133941844
+OCc1ccc(cc1)OC(=O)C,0.33044245223690394
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7595334501479599
+ON1CN(Cl)CN(C1)Cl,0.22342691270545786
+O(Cc1cccc2c1cccc2)CC1CO1,0.805427758268585
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6423272262184875
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6864315072174223
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.15375590581979373
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.861201568974442
+CCCCCCCCCCCC(=O)O,0.15669042857126642
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.18199351824867796
+CCCCCCOC[C@H]1CO1,0.45330336453584985
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.21843083183868198
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.6226429709603895
+CC1=CC(=O)C(=CC1=O)C,0.2159074762268703
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.7597471548713172
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.12966836841552667
+OC(=O)/C=C\C(=O)O,0.18747767031137388
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.13609218907655268
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.7778015098908826
+Cc1ccc(c(c1)C)C,0.21712487864256408
+CCCCN(CCC)N=O,0.7939203166527776
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.2206826043107032
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.7741782008435865
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6469131410875474
+CNC(=O)NO,0.45347414783159645
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.7711916567081087
+Cc1cc(=O)[nH]c(=S)[nH]1,0.2183649055133487
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.5150046807319746
+CCCCO,0.1913629183322649
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8248971139633188
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.7151240884890445
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.19072264632891195
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.824575963738809
+Cc1c(C)cccc1C,0.23909317504672933
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.605019590314135
+Cc1ccc2c(c1C)cccc2,0.7161715544369274
+ClCCCN(C)C,0.4241561822023362
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5830012319826957
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.26554114064969814
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.19368678699254396
+COc1nsc2c1cc(OCC1CO1)cc2,0.8301648830326055
+[CH2-][N+](=O)[O-],0.22517429619159912
+CCOC(C)(C)C,0.23627972246124185
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8271826414950866
+C=CCN(CC=C)N=O,0.789573429978039
+CCCCCCCCCCCCO,0.16204841875707796
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.14962828302385633
+CCOc1ccc(cc1)[N+](=O)[O-],0.7504000467746211
+COc1c2ccc(=O)oc2cc2c1cco2,0.3511373799764665
+O=C1C=CC(=NC(=O)C)C=C1,0.29229217991493633
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.49357520473783356
+CNc1ccc(cc1)N=Nc1ccccc1,0.6632835777175389
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.3164824923110875
+OCCCCN(CCO)N=O,0.8926390010810339
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.6148949670905668
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.7699949821119116
+O1OC2c3c(C1c1c2cccc1)cccc3,0.27695242957568483
+COc1ccc(cc1)O,0.22320860534654158
+CCCOC(=O)C(=C)C,0.16485543112270443
+CC(=O)Nc1snc2c1cccc2,0.436262173078787
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.41885696050858306
+OCCN(CCO)C,0.2096827239254317
+ClCCSCCCl,0.652601948353797
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.7289661117585869
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.79591072133766
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.21157881763169956
+ClCc1ccc(cc1)Cl,0.20463259719927862
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.10664541056955193
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.8336563005271732
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.8079799375089676
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.18036398392991804
+CCCCC/C=C/C=C/C=O,0.39442514176180227
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.17315217865038504
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,0.16570443910323668
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.8182815884707085
+CN(c1ccncc1)C,0.3546827084192994
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9452873459377502
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.18296720400100716
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.7676411445300998
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.742531715590821
+Cc1ccnc2c1cccc2,0.4935144294666952
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.39792965890999
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.1953668764229935
+OC(=O)CCCCCCCCC(=O)O,0.14618836727421144
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.7548567529051202
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.538621388420141
+COc1cc(OC)nc(n1)N,0.1292306847045688
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8192001331878298
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.43870447690234854
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.14132084178659102
+N#CCc1ccccc1,0.25149247703096617
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.611390989692574
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.43055213615174837
+CC(=O)Nc1ccc2c(c1)cccn2,0.549597194970172
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.8173749301698884
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8479461927457083
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.8372391982112867
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.3928102155502887
+Nc1ccc(cc1)Sc1ccccc1,0.6270091409183036
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.25566652051474237
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.34626568875968466
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.3652103962516701
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.29443867211778707
+C=CCCC(C=O)CC,0.21759076158427976
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8445056547910474
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.6056020044697354
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.8494483752288355
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.7941652210258384
+Oc1cc(O)cc(c1)O.O.O,0.24718332356118586
+[O-][N+](=O)c1cnc(n1C)C,0.8207458896570017
+COC(=O)c1ccccc1S(=O)(=O)N,0.1603973504444872
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.16325861274790587
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.5467590968205034
+C=CCC[C@H]1CO1,0.7261103157456951
+CCCCCC[N+](=O)[O-],0.22808500471613102
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.48273378973346603
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.7540053688861497
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.7547271205259508
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6889412006994774
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.2909044808940522
+OCc1ccc(cc1)C(F)(F)F,0.12837120359558177
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.8079360762417268
+Cc1c(NC)ccc2c1nccn2,0.686518789464793
+COc1c2cc(OC)ccc2nc2c1cco2,0.6128760046150519
+ONc1cccc(c1C)C,0.7880025379916443
+C[C@@H]1CNC[C@H](O1)C,0.2199566181571242
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7894362083813807
+C1CCNC(=O)N1N=O,0.9276117305593622
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2020156729488204
+ClC(Cl)Cl,0.22144826917552948
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7899955555482081
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.5533310944449116
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.7846431617301896
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.23937341527792447
+CCCCC/C(=C/c1ccccc1)/C=O,0.2519953894685528
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.6575526642404709
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0.2794411549372784
+CC(COS(=O)(=O)C)C,0.7122270033944874
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.7086764508111179
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.17204318581316966
+C1CNCCO1,0.23298713331134974
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.20184783805443846
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.1168234766653995
+NC(=O)O[C@H]1CO1,0.4242053617628023
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.22332560011752078
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.7552735260522812
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.660052550574905
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.25898285913211133
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.6315902639764278
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.53704850592553
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.19318187198744974
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.6620461750206396
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.7227586148991608
+CC/C=C/C=C/C=C/C=C/C=O,0.7982676518680599
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.4887355685316559
+COC(=O)COc1ccc(cc1Cl)Cl,0.1697998328679963
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.16696027725054374
+COC(=O)c1ccc(cc1)C=O,0.15619940749420014
+C1CCCO1,0.21171692807608655
+NNc1nncc2c1cccn2,0.6193144481951529
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.6624212008823873
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.32545599046580653
+Oc1ccc(cc1)c1ccccc1,0.5742590555283624
+Cl[Si](Cl)(Cl)Cl,0.22144826917552948
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.834845621168243
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.6438595357841278
+CCOC(=O)OCC,0.20970132128269692
+CNC,0.2153211134080526
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.2608405026135008
+[O-][n+]1cccc2c1C1OC1C=C2,0.3724279582624594
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.5092518743464254
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.18043383888391235
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.17789119160767208
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.7812801998405127
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.16284845668463638
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.7897818108483882
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5692077232044606
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.5537088689547571
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.37928684917631805
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.13888444094365607
+CC(CN1CC(OC1=O)C)O,0.22620902907660742
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.27846404995534163
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.8070799738830899
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.5242695788700051
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.6175902713243008
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.31784548785966327
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.2800807283104248
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8635215488940304
+CCC(=O)C(=O)CC,0.23697616305550864
+OC(=O)CCP(=O)(O)C,0.15874863758667632
+ONc1ccc2-c3c(Cc2c1)cccc3,0.7953480955841733
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8183085280589782
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.43043382572815625
+OC(=O)c1ccccc1S(=O)(=O)N,0.18824212195818615
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.862285541482288
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.30821035349205
+FC(c1ccc(cc1)Cl)(F)F,0.15215187714740194
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.8787759807693564
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.7600338410813079
+Cl[C@H](C#N)Br,0.2127723788205218
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8129870633578407
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.4176915403170905
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.6870469215480639
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.7834035739515004
+CO,0.22144826917552948
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.5804772279194892
+[O-][N+](=O)c1cccc2c1nccc2,0.7678544358222197
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.16675156112024717
+CCOc1ccccc1C(=O)N,0.221796213954375
+O=NN(c1ccccc1)O,0.41041601187834764
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.23426388499184272
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.14811450881950125
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.7780141759890863
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.49476628893450636
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.26368288747167407
+CNC(=O)ONC(=O)C,0.33952103188566035
+CC(C(C)(C)C)OP(=O)(F)C,0.19034289133332039
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8266071363003566
+CC(CNCC(C)C)C,0.185846665496378
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.7058852896705903
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.1844666177215126
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.4896437407968986
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8240790563248716
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.15373408994798804
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.18709053827717953
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.2560929881194522
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.17623494208456278
+O=C/C(=C(/C(=O)O)\Cl)/C,0.6206474339446603
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.7617601003871126
+Cn1c(N)nc2c1cc1ncccc1n2,0.6324590201482172
+Cl/C=C(/C(Cl)Cl)\Cl,0.7675207534368067
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.17013718232443037
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.8235430161873021
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.2175317580980518
+C1CCCCC1,0.182134222269478
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.689486334888991
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.80198634495693
+O=Nc1ncn(c1c1ccccc1)C,0.7089885539755169
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.17880767824288055
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.7489396495638967
+O=c1ccc2c(o1)cccc2,0.3830454958970494
+Nc1ccc(c(c1)Cl)C.Cl,0.5500201123852692
+OCCOC(=O)C=C,0.2036955020532345
+ClC(C(Cl)Cl)Cl,0.2231335911304122
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.7680757003213512
+OC(=O)C(Cl)(Cl)Cl,0.23211504407165354
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.14998624495021934
+CC(=O)NO,0.5051552851293395
+Cc1ccccc1C,0.2542199431301821
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.1849394143911643
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.7755496580571309
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.5983071205077026
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.8393976480579285
+CN(CC[C@@H](N(C)C)C)C,0.17871625141690928
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.7214022287132773
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.42716387936908484
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.15950663292334294
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.7309844314630982
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.4187278264067839
+c1ccco1,0.2192845219150042
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.4410221261487428
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.7241536903968476
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.6117214463165561
+Oc1ccc(c(c1)C)Cl,0.18403297611050917
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.9116824351011574
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.7894669572166432
+CCCC[C@H](COCCC#N)CC,0.1522159779685246
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.8416138547617217
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.6038753460411892
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.6015578223381035
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.7469178346827752
+CC(=C)C,0.22487361990745774
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.6345147076811224
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.2513120214541542
+OC[C@@H](CCl)O,0.461625544083478
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.9076050940073026
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.43895280055052016
+OCCSN=O,0.2801983424742696
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.1829366975943675
+ClCCNc1ccc(cc1)C,0.6354129373699002
+Nc1ccc(cc1)C(=O)N,0.6115850817273697
+Sc1ccccc1,0.2546616038179422
+CCOS(=O)(=O)C,0.8044795356677023
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.812490110428258
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.7517199872153102
+CCCCCCCCCCCCOC[C@@H]1OC1,0.45330336453584985
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.16673397646684074
+CCNc1nc(N)nc(n1)Cl,0.17377520564206275
+COC1=CC(=O)C=CC1=O,0.24587747481273628
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.6339385770884983
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6851402616166508
+CCCCSCCC(C(=O)O)N,0.2305169792340399
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.3532082929963131
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.6952487097325458
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.826828812787701
+CCOc1nc(NC)nc(n1)N,0.13765460138223276
+Nc1c2ccccc2nc2c1cccc2,0.7547007176934303
+O1CCOCCOCCOCCOCC1,0.2229082384056852
+C=CC(=O)OCCN(C)C,0.22931431859484483
+CCCCN(CC)CC,0.17714526128447186
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.8528679380435792
+CCC(=O)C=C,0.34363847540537756
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.11443282121146017
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.17784965994715396
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.11880545761362726
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.288293376652107
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7772490474613267
+O=Cc1cccc(c1)Cl,0.20562935556136414
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.8445056547910474
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.777979472990313
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.401900925943937
+ClC(=O)C(Cl)Cl,0.7376976568413276
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.19862813512664165
+[O-][n+]1ncc2c(c1)cccc2,0.47274174547645226
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.41252352430624833
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.3058210238988727
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.21955597278402
+NCCc1c[nH]c2c1cccc2.Cl,0.46703439817430076
+OC(=O)C(Cn1cncc1)N,0.2362042481946902
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.15223330727380097
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7842603801249686
+COc1ccc(cc1)CNC(=O)C(Br)C,0.8162222013764532
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.7203165942537918
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.7349568774935881
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.16896783023266612
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.519592138003383
+COc1ccccc1C[C@H]1CO1,0.7768853019852782
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.8184926622332154
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.569434241343309
+CNC(=O)Oc1cccc2c1cccc2,0.5833128599656481
+CC(C(=O)NCc1ccccc1)Cl,0.48475647049498954
+CCC(OC)(C)C,0.3737058376611988
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.2994381476698592
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.7470722053816009
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.23872146159685978
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.7819518024716866
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8233404042908636
+c1ccc2c(c1)ccc1c2nccc1,0.6867339519235165
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.2827857565173142
+CC(O)C,0.20541691082599767
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.30454739653524643
+c1ccc2c(c1)occ2,0.4167928188025693
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.5590219351041739
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.14758817301177152
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.6527848814379021
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.26317426364893987
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.14654339111515366
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9333398952919185
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.16962505699020872
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.772273136840658
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.686112414404837
+Cc1ccc(cc1)CC[C@@H]1OC1,0.7276480108738993
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.2705560838686737
+CC(C[C@H](N)C)C,0.17220946601613726
+BrCCOC(=O)C(=O)OCCBr,0.7377894521300306
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.7756073475155207
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.13596020420302662
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.47333423442936484
+BrCC(CBr)Cl,0.6433524899657171
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.2200833014751053
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.19194944861502486
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.2421682354707163
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.8371003341650911
+O=CC(=C(Cl)Cl)Cl,0.7261307536482847
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.5975454243256396
+ClC(C[C@@H]1OC1)(Cl)Cl,0.7372088473716725
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.5785112477996711
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.3542279870076628
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.3822024653646139
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.1396484481096063
+CBr,0.22144826917552948
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6240061508060297
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9416879806869899
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.14634136549012122
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.5388402923822934
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.19366053074974257
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.20221802197211158
+O=NN(Cc1ccccc1)C,0.8138706386408704
+O=C1C(=O)c2c3c1cccc3ccc2,0.6882255138124465
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.7044715100175265
+COc1ccccc1[N+](=O)[O-],0.7587488758659436
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.3938828753030513
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.8141020081141812
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.13154570889184283
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.7635242141126337
+CCCCCCC(=O)O,0.15669042857126642
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.3039026631588607
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.6698212810402958
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.8155239002252261
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.14011284882208982
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.2230216663963373
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.497519658968033
+Cc1c2ccccc2cc2c1cccc2,0.7844278110536052
+COc1ccccc1N.Cl,0.6813780287829707
+[O-][N+](=O)c1cccc(c1C)C,0.727478302799642
+CCC(c1ccc(cc1)O)(C)C,0.14386261572814987
+CN(/N=N/c1ccc(cc1)Br)C,0.6147322107466305
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.7625018379585591
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.7713761538753292
+Clc1ccc2c(c1)c(N)sn2,0.3228408316381598
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.7427910014500425
+N1CC1,0.2246924224529306
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.19535769294513808
+CC(CN(CC(C)C)N)C,0.2088990334781548
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.4945692176437553
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.6885912728950265
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.19009122584112417
+ClCC[N+](CCCl)(C)[O-],0.4740872447117682
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.20409261080376206
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.22666215948428273
+Nc1[nH]cc2-c(n1)ncn2,0.29585062068915946
+Fc1ccc2c(c1)nccc2,0.54885761944575
+N#Cc1cccc(c1)C#N,0.24021323702082717
+Fc1cc2cccnc2c(c1)F,0.5858435730324073
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7961059328196681
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.15003030936375816
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.8778133210358372
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.452089491241775
+FC(=C)F,0.22144826917552948
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.2519528895353427
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.161757551585545
+Oc1cccc(c1)[N+](=O)[O-],0.7637539698449981
+c1ccc2-c3ncsc3CCc2n1,0.5139977068869609
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.6664798287827453
+O=NN1CCCCC1,0.8029974439779384
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.34488170109661515
+C=Cc1ccncc1,0.19883965590168257
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.2627484166816314
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.21520824189649346
+Oc1ccc(cc1)c1ccc(cc1)O,0.5367782084740631
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.1452130700633932
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.3448111141797032
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.14124204420620545
+CC(CON=O)C,0.48567029341529383
+CC[C@H](c1ccccc1O)C,0.26565012147895417
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.8220708174640126
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.24084556925415715
+ClC(=O)Cc1ccccc1,0.38964019340143935
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.32860122175518025
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.5781360517927083
+Nn1nnc2-c(c1O)nc1c2cccc1,0.7313244147040044
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.10639559235496387
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.8316152927889803
+OCCCCO,0.21244483630029007
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.7374148076583247
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.7711930808823679
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.6445439588962653
+BrCC1=C(Cl)C(=O)OC1,0.7841863995356572
+CC[P@](=S)(Sc1ccccc1)OCC,0.2415842036002261
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.1545150492813958
+ClCCN(c1ccc(cc1)C)CCCl,0.652091797775597
+ClCCP(=O)(O)O,0.489194357220457
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.16247133084352727
+Cc1cc(C)c(c(c1N)C)N,0.5534080253122486
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.821755840388998
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.8509297774473941
+O=C1C=Cc2c3c1cccc3ccc2,0.7069723102260739
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6254266876632805
+CNC(=S)N(C)C,0.20528251651694293
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.7764304700188699
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.14110906467433107
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.7904238910044601
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.2726382166204089
+O=CC=O,0.48689146862510935
+Cc1ccc(c(c1)O)C,0.21035960134079526
+COc1cc(N)ccc1NC(=O)C,0.6834445020695631
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7887767093692034
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.7039887778983547
+CC(=O)NNc1ccccc1,0.473815935882305
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.5779511082086212
+Clc1cccc2c1oc1c2cccc1,0.3831621292773233
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.40989292835581065
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.7389049294905493
+C=CC(=O)OCCOCCOC(=O)C=C,0.18604395660376422
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.24680423257498163
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.20613985912925903
+CCCCOS(=O)(=O)C,0.6125309134653152
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8024740857655643
+NC(=O)N/N=C/C(=O)O,0.21012329618591155
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.15920136411575667
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.31953726742144106
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8117076487349731
+C=C[C@@](CCC=C(C)C)(O)C,0.1871028028539187
+OCCN(C(=O)N)N=O,0.9236116293453832
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.16243136243185266
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.7788879458167558
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.285206694185489
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.4869708647534322
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.3934107139244438
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.16320988833703956
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.6439696451405089
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.48926818317810017
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5174872164542409
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7432764907993334
+Nc1ccc(c(c1)C)N,0.7004977025857015
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.24133114805717137
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.2260010554352869
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.1498186686270594
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.4041350803451097
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.19657660871252078
+CN(N=Nc1ccc(cc1)Cl)C,0.46496469956937775
+CC(Cc1nccs1)C,0.3435431762443711
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.19126173643558156
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.15204223127341412
+OC(=O)c1cc2ccccc2cc1O,0.4997188241911508
+Oc1ncnc(c1)O,0.17456169722916307
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.6646605428473988
+Nc1cccc(c1)S(=O)(=O)O,0.5883794471567125
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.7852218369617298
+OC/C=C(/CCC=C(C)C)\C,0.10685103949778531
+O=CC(=O)c1ccccc1,0.4392440751347371
+CNc1snc2c1cccc2,0.3824739162573706
+Cc1ccccc1c1nc2c(o1)cccc2,0.44031176885896517
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.4447657315970883
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.8640970096384494
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.546481710140735
+[O-][n+]1cccc2c1c(O)ccc2,0.5237160517861494
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.1501823760850502
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7917368820258489
+C[Si](O)(C)C,0.21391286353538577
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.16243006136987773
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.6532202452487164
+Nc1cccc2c1ccc1c2cccc1,0.7814774718691079
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.67154838468851
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.7291115995953573
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8167223940496647
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5426019209837932
+Fc1ccccc1c1ccccc1,0.6509862712719627
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.6000696334933155
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.7302742348180452
+CNC(=O)CSP(=S)(OC)OC,0.27308563837542443
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.6767265104769878
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.18320067625735711
+Nc1ccc(cc1C)S(=O)(=O)O,0.6445134053342408
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.32539123296325584
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.19417030163569834
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.7609580887754592
+CC(=O)Cl,0.42088376336580713
+CCCCCl,0.4069100693143021
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.43908818260227084
+ClSC(Cl)(Cl)Cl,0.23270131404855723
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.874681519185031
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.21954292017956528
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.6116047300157342
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.15185905046336057
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0.1863839530523375
+Clc1c(Cl)cccc1Cl,0.19021325815712847
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.7851504269443654
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.7571749661124663
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.21762700315299374
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.6787320637608425
+CCC(=O)Nc1snc2c1cc(C)cc2,0.46356096945899294
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.7028355728448099
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.1445135232779063
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.14790657207638114
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.1728178919405058
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.2058248405026141
+CC(F)(F)F,0.17765647487523353
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.36732575185525423
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.7411937596884424
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7939935720636635
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.6484825049536415
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.5998177447803016
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.7950406116596614
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.1386760298151712
+c1ncn[nH]1,0.1887105480499158
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.2320531169576672
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.7919552720321186
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8796702046520598
+Fc1ccccn1,0.22292185049666294
+COP(=O)(OC)O,0.21864207120382267
+CCCCCCN(C(=O)N)N=O,0.5701189433396141
+Clc1cc(Cl)c(cc1O)Cl,0.14821340327545598
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.8138132959212561
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.16217212329219075
+C[C@H](c1ccccc1)O,0.22956758307582933
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.1933806470497178
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.30263916907507593
+NCP(=O)(O)O,0.21213344083334687
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.18322512427831278
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.8686972281362881
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.1386383370831982
+C/C=C(\C=O)/Cl,0.6819919452261759
+[O-][N+](=O)c1ccccc1c1ccccc1,0.8631960387819988
+OC1OC(=O)C=C1CCl,0.7196630657838635
+CCCCOC(=O)C(=C)C,0.14696562951723316
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.6356597522153375
+C1CCc2c(C1)cccc2,0.2512435829326188
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.23292964392095827
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.7923460062555566
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.4613072000253998
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.20891721919720724
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.17418064360375615
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.21686177358943998
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.20878371206133797
+Cc1cccc(c1)Br,0.16080895596975087
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.8826851151186352
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.7152608994032861
+c1ccccc1,0.25130252470992526
+C=CC=C,0.20922931369365064
+COc1cc(=O)[nH]c(=O)[nH]1,0.17585600667156978
+CC1=CC1,0.21535455006742274
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.741477301858009
+COc1cc(N)cc(c1N)OC,0.6691884401433419
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7689867962777741
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9461861260527032
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.24526704774281194
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.1839854968955915
+NNCCO,0.2379512525549095
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.1419797042870392
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.15920839528985126
+Fc1cccc2c1nccc2,0.5996725273416421
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.6210350244297622
+N#CCCCCC#N,0.21561289153068078
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.5161944745060425
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.32782969318849203
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.19124151253481209
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.15085670818381064
+COS(=O)(=O)OC,0.38196366651338937
+CCCCCCC=C,0.1613811949135277
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.7558779068048035
+CO/N=C(\c1ccccc1CO)/C(=O)NC,0.2030045491003107
+O=C1CCCCC1=O,0.21197081048275734
+Oc1ccc(cc1)O,0.19625469536521895
+C1CC2=CC3C(C=C(C1)O2)O3,0.2474471341447334
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.12839144070160444
+OCC1CCCO1,0.40481349066605615
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.7691902037992726
+O=C(c1ccccc1O)OCc1ccccc1,0.2157204433572455
+O=Nc1cccc(c1)C,0.8081701584668356
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.2183014911879956
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.7000772627705001
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.4338652150262133
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7473414541179975
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.1723320651431351
+CN(C[C@@H](Cl)C)C,0.37493811624943557
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.795099922163638
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.23460374932884032
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.5209763968132587
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.7214876362970114
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.26960608063868124
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.6897021916957242
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.8139018415080057
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.865584119818536
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.8531679783108892
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.8050844212468776
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.15429443381091054
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.7295537192561583
+CCO[Si](OCC)(OCC)C,0.21046969573898086
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.8253273864257373
+CC(Br)C,0.4464759986800114
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.737613442571958
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.8229262653827428
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.7652045389906487
+COC(=O)c1sccc1S(=O)(=O)N,0.15312994666808458
+CC(COS(=O)(=O)c1ccccc1)C,0.24172213079532978
+Oc1ccc2c(c1)nc([nH]2)N,0.43270953490554415
+[O-][N+](=O)c1cccc2c1snc2,0.7866451510997599
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.15324361300713618
+CCc1ccco1,0.20939391754957198
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.7064219658033769
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.6077534539928164
+COC(=O)c1ccccc1NC,0.32037446864784436
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7608411738060876
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.6516103715537271
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.6301072972844084
+COc1ccc(cc1)CC1OC1,0.8326052793494918
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.7257484136565657
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.926727579948524
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.7175845319092414
+COCCOCCO,0.21147814221499897
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.20147545200499242
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6254266876632805
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.7945718785410787
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.5195897136538178
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.6315555171353396
+Nc1ccc2c(n1)no[n+]2[O-],0.5073034704887092
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.916489704627206
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.7970459965680721
+OCc1ccc(cc1)C#N,0.20994110189431484
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.6214055190252652
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.15208952077462287
+O=NN(C(=O)c1c(NC)ncn1C)C,0.8957887384002118
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.26130324637372726
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.779284330663038
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.37095395515098634
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5250892199165823
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.8861152636663815
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.16387582792280214
+NC(C(=O)O)C(C)C,0.20962790776239654
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.21050524464977596
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.25555659018824495
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.7186732528617454
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.40085817546705255
+Cc1cccc(c1)C(=O)O,0.2008447251545315
+CCOc1nc(N)nc(n1)N,0.13460318752560207
+CCCCCCCCCCCCOS(=O)(=O)O,0.16723858643946315
+OC[C@H]1CO1,0.8222592377088487
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.24656387076442124
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.7746774541701127
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.7954671190166651
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.7687060579752468
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.1916039169394344
+OC(=O)c1ccccc1O.[Na+],0.20720251097127418
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.18042518506615599
+ClCc1ccc(cc1)CCl,0.23420404895810795
+CCCCOCCOCCO,0.18189542701904537
+Cc1ccc(cc1)NN=NCc1ccccc1,0.463480335600312
+CC1=CC[C@H](CC1)C(=C)C,0.09267499959957157
+CCN(CC)CC,0.21133399713720336
+OC/C=C(\CCC=C(C)C)/C,0.10685103949778531
+CCCCCC,0.1623132492460508
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.7911825774818777
+CN(C(=O)Cl)C,0.20396466808865066
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.8170490830203316
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.42973517362386415
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.29822863893639634
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7876497745335861
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.21281844977253245
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.4654399504463123
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.8178778345937918
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.5904699448018068
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.7494019874417102
+CCCCOC(=O)c1ccc(cc1)O,0.14291780699274892
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.17650993299888754
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.18659436234977778
+CNc1ccccc1,0.5084648636941179
+C1CCC2C(C1)c1ccccc1C1C2O1,0.19133413008489555
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.764998937106335
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.1386265459202979
+OC1=CC(=O)C1=O.[Na+],0.19960558364342199
+Sc1nc2c([nH]1)cccc2,0.4257768476438573
+Nc1ccnc2c1cccc2,0.7205698131047205
+CCCCCOC(=O)C(=C)C,0.1411041833002767
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.1798832421030041
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.37095395515098634
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.40753534768457983
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.16025984868820728
+CCO[P@@](=O)(N(C)C)C#N,0.20553921148345133
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.25354894113195703
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8786760906364124
+[N-]=[N+]=NC[C@@H](CO)O,0.7197027218798808
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.5055101131093888
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.6189308891476506
+OC(=O)CI,0.17815709930498053
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.34926317610831
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.2624346354310402
+Cc1ccc(cc1)[N+](=O)[O-],0.7849550837625199
+COc1nsc2c1cccc2[N+](=O)[O-],0.7889469329280764
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8160405685088796
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.15480440465915246
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.42485570853142113
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.7406838467920615
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.8383807003101208
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.3001830193145354
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.4409069889677163
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.24141252129009377
+[O-]Cl.[Na+],0.19772806742742413
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.515420572447873
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.765051765410223
+O[C@@H]([C@H]1CO1)CO,0.7299203823188543
+C/C=C\C=O,0.6308300401711361
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.37180334249111374
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.74203184691355
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.2423892367728067
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.7939664721879435
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.25350678340152116
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7389049294905493
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.14978437175765616
+Nc1ncnc2c1nc[nH]2,0.4779577385884371
+Clc1ccc(c(c1)C)N,0.4744703687510243
+OCC(=O)O,0.18746371354014696
+O=NN(Cc1ccc(cc1)F)C,0.8190426844916631
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9387569323062529
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.20613811156122291
+CC(=O)Nc1ccc(c(c1)N)C,0.6491580565999722
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.18760014853423382
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6539070004053109
+OC(=O)C(CCS(=O)(=N)C)N,0.22178381663531
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.6425570305427588
+CC(=O)C(=C)C,0.2838157727091527
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.7967267394217379
+CSCNc1ccccc1OC,0.5072512045509667
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.731086991386971
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.18585046279855935
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.8058959892038147
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.3781650357476996
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.7921575259682478
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.29316148723320135
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.7567049628678966
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.2313035654789728
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.2881251857775921
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.596872550917102
+Oc1ccc(c(c1)Cl)Cl,0.17058172646148081
+CNc1ccccc1N,0.6402472119556609
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.779284330663038
+Clc1ccc(c(c1)Cl)C(=O)O,0.18573441561516632
+COC(=O)c1ccc(cc1)C,0.1647448842647205
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.6336721099633431
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.48006534201855156
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.18545071441202537
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.7911825774818777
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.47212760653721203
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.7979478199164018
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.8687237449364861
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.23722319913593648
+OCNC(=O)c1ccc(cc1)Cl,0.2051567596818236
+CC[C@H]([N+](=O)[O-])CO,0.3415067496577484
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6794030895233844
+OCC=O,0.25450040002781643
+CCCCNCCCC,0.18762752616716105
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.7746540106596325
+OC1CCCCC1,0.17756459974002983
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.26135023328142226
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.4056224165568621
+C/C(=N/O)/C(=O)C,0.26532649622976556
+CCCCON=O,0.4837573418732801
+OC1CC=Cc2c1nccc2,0.21796073254224868
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.2470572226724732
+Cc1ccccc1c1ccccc1,0.7053589227006333
+COCC(=O)Nc1c(C)cccc1C,0.312126178505549
+CCC/N=N/O.[K+],0.5138109442547043
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.2322087433929124
+CC(=O)C(Cl)(Cl)Cl,0.20517344123386172
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.505010183238096
+Fc1cc2ccccc2c2c1cccn2,0.7124659847536523
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.7942915820246812
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.24599117149106908
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8379743162243865
+OC[C@@H](CBr)Br,0.782108976322016
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.748898787140202
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.20222535540980416
+O1C[C@@H]1c1ccccc1,0.3742230898971818
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7233839026230537
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.6516073811813397
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7520334561304505
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.8002631050372738
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.7432177201957492
+NCC(=O)O.Cl,0.17598087440452456
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.5447337720914858
+OCCCN(N=O)CC,0.9209721418834056
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.3485723983432371
+CCCC[C@H](C=O)CC,0.16308192030743357
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.48759672207891513
+Nc1cccc2c1cc1ccccc1n2,0.8082918853610932
+CNCCCN1c2ccccc2CCc2c1cccc2,0.3853449937894093
+OCC(C(C(C(C(=O)O)O)O)O)O,0.30844595892388554
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7673881143131622
+Nc1cccc2c1c(N)ccc2,0.7114826271768885
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7865261162442504
+CCC#N,0.20850315851608003
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.16237532150671113
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.7964125104091636
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.45257820721052
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.8255796566018562
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.16371286909614607
+Nc1ccc(cc1)c1ccccc1C,0.7511869959682653
+COc1nsc2c1ccc(c2)OCC1CO1,0.8168070845097032
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7538348530620875
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.22297567925432993
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.8919234886859354
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.4453028158838002
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.19576634112091
+CCCCN(CCCO)N=O,0.8135590946758623
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.8244239534297021
+CC[C@H](N)C,0.16735672016511902
+Nc1cccc(c1)O,0.6372385203588913
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.7502154671999491
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.7093207592884121
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.7079540033350206
+NCCNCCNCCNCCN,0.28738635114341377
+NC=O,0.21306914003112487
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.16199618466574336
+CCCCCCCCCCOC(=O)C(=C)C,0.1411041833002767
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.801283597144681
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.2951997297347883
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.8051807142389469
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.6628684702027785
+O=C1C=CC(=O)C=C1c1ccccc1,0.2597153615964651
+C/C=C/C=C/C(=O)O.[K+],0.3407229382830886
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.26562376056600817
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.6238640929466553
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.7454711953929382
+CCSCCOP(=S)(OCC)OCC,0.21587670333501668
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.8305083865901538
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.37305991522402143
+CCCOS(=O)(=O)C,0.7899032010534671
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8207887916509511
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.36690206388179464
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.7143586566673419
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.41677929053457463
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.146403368327321
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.4276375929370835
+O(Cc1ccccc1)Cc1ccccc1,0.27074592997799324
+CCN(c1ccccc1)Cc1ccccc1,0.5315693779592047
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.6528864081266834
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.2308323109091405
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.7907392795673692
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.2561990097304778
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.8126425547722127
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.6631164636220146
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.5232161527720758
+Cc1cscc1,0.29032643569834043
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.42617522434091426
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.1692876388775642
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.1812847700004139
+COCCOC(=O)C,0.3115541085765721
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.5409179317229197
+CN(C#N)C,0.3152167525244047
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.18662295351725766
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.7342462698193915
+N#CCc1ccc(cc1)Cl,0.19026700354970194
+CC12OOC1Oc1c2cccc1,0.4319319530801271
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.279572847697929
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.7764661002531641
+O=NN1CCN(CC1)C,0.8894159104362778
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.4725354533757144
+C[C@@H](c1ccccc1)N(C)C,0.24518512159987582
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.1710259215212582
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.14336805571667136
+[O-]P(=O)([O-])[O-].[Fe+3],0.21773515276961516
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.782622292377962
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.2912687036294304
+O=C1CSC(=S)N1,0.2547713258788915
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.23950207309950747
+Clc1ccc(c(c1)N)C,0.424836637516873
+CC(COC(=O)Cc1ccccc1)C,0.20008812216780753
+O=C(c1ccccc1)C(=O)C,0.2889841711682293
+Fc1c[nH]c(=O)[nH]c1=O,0.20551112162615734
+CCCCC1CO1,0.36649075461315084
+BrCc1ccc(cc1)CBr,0.22701642704163472
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.18814315700268627
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.7484513637518112
+N#N=NCc1ccccc1,0.7542930501364669
+O=NN1CSCC1C(=O)O,0.635125833945597
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8086404616624031
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.5429009061990756
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.13732035750106347
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.8698815253042851
+CC(C1=CC(=O)C(=CC1=O)C)C,0.21644181882125962
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.17991574623085968
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.17503971121711034
+O=NN(Cc1ccc(cc1)Cl)C,0.5339819045018952
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.6582565653251267
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.42922444733490195
+O=C1c2ccccc2CCc2c1cccc2,0.5443196855695922
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.1471793526931139
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.1762464358252305
+CC(=O)Nc1ccccc1C,0.27132955435067957
+O=C1C=C(O)c2c(C1=O)cccc2,0.660368504233606
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.920595758284946
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.23106849796272466
+Nc1ccc(c(c1Cl)Cl)Cl,0.4323220378818772
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.7980872041974928
+CC(=O)c1ccncc1,0.21130903856384933
+Cc1nc2c(s1)cccc2,0.3891055227147602
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.3036137688908395
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.7814865505905171
+BrC(C1=C(Cl)C(=O)OC1)Br,0.7874768367419822
+Cc1cc2ncccc2c2c1n(C)cn2,0.781915569415354
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.7980105570378541
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.6825339237702664
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.7941497844136732
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.15423631646419797
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.7378089538159683
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.7385465781050314
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.47128315434888146
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.7640111760194602
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.17246427431552352
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.7511092081981133
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.8111268071417412
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.12039856399421828
+OC(=O)[C@H](O)C,0.18170793424893306
+OC(=O)C(Cl)(Cl)C,0.17815709930498053
+CCCC,0.18770624234413985
+ONc1ccc2c(c1)cccc2,0.76790143430634
+Fc1cnc2c(c1)cccc2,0.5938536713364712
+Oc1ccc2c(c1)cccn2,0.5744240900357025
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8470345209548904
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.16326057563267135
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.15971877467302084
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.7025463753306224
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.2634021442103119
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.23853949127818883
+OCC(Cl)Cl,0.20987168145710983
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.1518077561812016
+O=NN(Cc1ccc(cc1)Br)C,0.7473947596233221
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.18555133532603826
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.1366165876306997
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.7430057380100369
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6563305098692523
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.7982701890542144
+Clc1nncc2c1ccnc2,0.32390900274692086
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.7340718547712493
+C=C[Si](Cl)(Cl)C,0.21391286353538577
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.25090342378369235
+CC(COC(=O)C(=C)C#N)C,0.20413958539344973
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7816517168220954
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.7031784227617839
+Cc1cc(N)cc(c1)N,0.6629171129740691
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.2532984937344591
+ClC=C(Cl)Cl,0.5982712526410797
+O1CC1Oc1ccccc1,0.276822981481146
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.7031784227617839
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.504365286396382
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.8308203551116194
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.27453872211904334
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.7978452418708246
+CCOC(=O)C=C,0.18317503507207544
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9100453100113125
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.5107620882293283
+OCC(COP(=O)(O)O)O,0.19278681482481863
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.2397440591551
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.20183185541459855
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7639394914680521
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7600575622949878
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.6814851800789784
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.6890067041494071
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.13121050413513857
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.8337144454352251
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.7952880677134447
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.4227524731493476
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.24792708108132877
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.7441264608261227
+Clc1ccc(cn1)Cl,0.18970505480742342
+CC(S(=O)(=O)Cl)C,0.21391286353538577
+OCCCCN(N=O)C,0.8757841455735563
+c1ccc2c(c1)cccc2,0.6103270725128892
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.37072021261811255
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.8916094794623821
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.7679888276620789
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.1839209629284577
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.1341231951482179
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.3763491831348254
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.16227058265083424
+C=C[C@H]1CO1,0.4305820382860428
+OC(=O)/C=C/c1c[nH]cn1,0.24211654634830346
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.15782110217606807
+Oc1ccc2c(c1)oc(=O)cc2C,0.4035746376137752
+S1CC1,0.22533110559645905
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7907131696415407
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.30272368833971863
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.1591718827522809
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.097921858243559
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.7264670268877181
+c1ccc2c(c1)[nH]c1c2ccnc1,0.7236929573602978
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.1610719370914142
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.17887089318007682
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.7894489136485269
+OC[C@H]([C@H](CO)O)O,0.38184982700220405
+C[C@@H]1O[C@@H]1C,0.24619188620092827
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.1859767911788236
+OC(=O)Cc1c[nH]c2c1cccc2,0.3725824971656398
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.8172762336696389
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.7923726331873681
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8441766524897679
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.1694750212737415
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.20177933714539495
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.34126280312254137
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.25232322644571337
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.23057255386172545
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.25714736695428725
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.1524534178499107
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.6635824358151977
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.14547678626458085
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.755343554124511
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.7220786316811441
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.1642947837365588
+O=C1C=CC(=O)N1,0.2334092809283128
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.6270764298964236
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.22854611067650887
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.35651491019729603
+O=Cc1ccco1,0.23945903088436668
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.3579516382468165
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.6847424059027154
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.602356705358098
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6792525986468154
+COc1ccc(c(c1)OC)N.Cl,0.710706625984043
+CC/C=C/C=O,0.6160159677657181
+C=CC(=O)NC(CC(=O)C)(C)C,0.16726975322714574
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.6535128247276667
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.2550211858319844
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.18617152486360333
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.791621860882092
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.5354337397148375
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.1732295319187037
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.29185053964307534
+CCC([N+](=O)[O-])CC,0.3436254698567864
+c1ccc(nc1)c1ccccn1,0.41933510878118185
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7679187175946569
+BrC=C,0.22684335119987997
+O=C=Nc1cccc(c1C)N=C=O,0.4136286797220574
+CCCCCCC1OC1,0.36649075461315084
+Oc1ccc2c(c1N)cccc2,0.6812297998873565
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.7702024781532761
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.37095395515098634
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.7192143544168826
+Cc1ccc(cc1)O,0.20004406277971776
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.8094122495682708
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9260105981009313
+OC(=O)Cc1ccc(c(c1)O)O,0.1810119137041153
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.8106351763117878
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.29858488435848674
+ClCC1=C(Br)C(=O)OC1,0.7439269702414681
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.5270927348926899
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.4723639132921188
+Oc1cc(O)c2c(n1)cccc2,0.5085896941863447
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.8865330877115354
+ClCCNc1ccc(cc1)CCCC(=O)O,0.4919011232105683
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.7990466773510795
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.14430109913031394
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8514558715110199
+CCCCCCCCC(=O)OCC=C,0.15118235071398806
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.13905850883300075
+CC(C1CCC2(CC1)OC2)(C)C,0.1506301367787972
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4297106099681363
+Clc1cccc(c1)C(=O)Cl,0.37400057155776667
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.7760507373352951
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.36103347973763567
+Nc1ccc(c2c1cccc2)N,0.7078374181128406
+Clc1ccccn1,0.22184678950040093
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.7875897506148427
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.776172323781603
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.2348820693247778
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.17158243572138124
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.5884769365270103
+NC(C(S)(C)C)C(=O)O,0.21360170960282568
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.5287173473333125
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.17563711773067223
+O=c1[nH]cnc2c1cccc2,0.5280032765157898
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.6791450037584021
+COC[C@H]1CO1,0.8098861725138717
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.6850356434562624
+Fc1cnc2c(c1)c1ccccc1cc2,0.7384757328575966
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.6200190498616874
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.15062929363429053
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.8214679527684824
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.7941512216390844
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.19067217972251735
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.15338999703309494
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.5865277660256695
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8032911239890445
+O=Cc1ccccc1,0.2346258347907744
+OC(=O)CCCCC(=O)O,0.14972883342126572
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.19127808754461922
+c1ccc2c(n1)c1ncccc1cc2,0.6476801502654377
+C1N2CN3CN1CN(C2)C3,0.35857737735095524
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.2658197854908897
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7047817144218027
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.3934218748021089
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.412272356041515
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.6525681380857341
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.11266026973960269
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.7110797922581846
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.41245261155031915
+O=C1NCC[n+]2c1cccc2,0.31743322806464325
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.6930501635971754
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.42485570853142113
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.3759249421122426
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.7710336765958892
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,0.20066014128277715
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4856506702991044
+S=C1NCCN1,0.217505163596902
+c1ccc(cc1)[Se][Se]c1ccccc1,0.2666086502760033
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.1889868827880869
+O=CC=CNCCCCC(C(=O)O)N,0.3644169573587108
+CCCC(=O)O,0.15713284354480217
+COc1ccc(ccc1=O)[N+](=O)[O-],0.792014617062808
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.8091976878490865
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.6416835066509782
+FC(n1c(C)n[nH]c1=O)F,0.2008497779422556
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.5922973696674954
+c1ccc2c(c1)c(ccc2)CC1CO1,0.7942273145817104
+Cc1ccc(c(c1)C)N,0.6732961878311494
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.16889120515672668
+CCCCCCOC(=O)c1ccccc1,0.14963512213700472
+OC(=O)C=C,0.1957293135640033
+Cn1ccnc1S,0.40167318887391734
+C1CCC=CC1,0.20575295789056916
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.2696470603876412
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.3036414689454803
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.5943778002783668
+COc1ccc(cc1)[N+](=O)[O-],0.7866717503756543
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.13677645292147247
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.1472376927349597
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.8145206856035007
+OCC12OOC2(CO)Oc2c1cccc2,0.5060588222240796
+Clc1cc(N)c(c(c1)Cl)O,0.3509351115814966
+Cn1c(N)nc2c1cc1ccccc1c2,0.754966699862851
+CCOc1ccc(cc1)NC(=O)N,0.1847956857744278
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.5179621914971376
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.22696976749564515
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.21712657589497703
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.1951524692622854
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.15994721175087362
+CCCC[C@H](COC[C@H]1CO1)CC,0.3907238015801426
+BrCCC(CCBr)(CO)CO,0.6294725559183815
+COC12OOC2(C)Oc2c1cccc2,0.4331924451725079
+COc1nncc2c1cncc2,0.3596550414265152
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.4392116529034082
+BrCC(=O)c1ccccc1,0.28791170125197935
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.45364459679497954
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.232130382948246
+S=C=NCCc1ccccc1,0.2521098893629538
+O=C1NS(=O)(=O)c2c1cccc2,0.20056706344252662
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.8187492807632918
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.4652053480710504
+O=C(c1ccccc1)/C=C/c1ccccc1,0.26680880612552166
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.7700741055655946
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.1900722624871095
+CC(=C)OC(=O)C,0.2892876800431297
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.44493447053472435
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.25850848836714335
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.222031583442356
+NC(=O)NCC=C,0.213275700916613
+CCc1cccc(c1NC(=O)C)CC,0.377467000700029
+COS(=O)(=O)F,0.24480030850617188
+CN1CN(C)CSC1=S,0.33269911664120827
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.8279010715097874
+C/C=N\O,0.21597709159392964
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7287564082841222
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.7523075036304673
+CCCCCCCC(=O)O,0.15515885122467324
+ClCCOC(=O)C=C,0.46905036792606747
+NC(=S)NCC=C,0.2699280086154787
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.2519663509736126
+On1nnc2c1cccc2.O,0.36579155205874625
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.1957955944593424
+C1CCC(CC1)N=C=NC1CCCCC1,0.177713847920686
+c1ccc(cc1)Cn1cncc1,0.31092819123971976
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.3554079063727193
+O=CN(C(=O)N(C)C)C,0.20341045299537477
+CCn1c(N)nc2c1ccc1c2cccn1,0.7950490238941741
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.5864604582533922
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.24719811112765191
+CCCCOCC(=O)O,0.18439749119467422
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.7346465461860032
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.1553575260266999
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.15190491397588368
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.7236637375292541
+Ic1cc(Cl)c2c(c1O)nccc2,0.39199305315143146
+COc1nc(NC(=O)N)nc(c1)OC,0.11701772162415144
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.7677445112004623
+Oc1[nH]nc2c1cccc2,0.4731541053930675
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0.4263177908836778
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7957868016636319
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.7883625049564029
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.7789092500801762
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.23245440463216188
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.25026770433995665
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.29730150804489336
+FC(C(F)(F)F)Cl,0.19214133420122645
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.7324923286925782
+CC(c1ccccc1)Br,0.2703696237725861
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.6713860373644658
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.705570534883262
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.8798239162914578
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.31513144367485163
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8148383271338606
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9428087059989693
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.7422982413917888
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.7579394143984177
+C/C=C\C=C,0.3189007466390308
+OCc1c(N)cccc1[N+](=O)[O-],0.7440658242316347
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.3495147583867786
+CC(=O)N(C)C,0.2794598450338505
+NCCC(N)C,0.17441422527406525
+CCCSP(=O)(SCCC)OCC,0.2211265267239571
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.7721431715734276
+ClC(C(C(F)(F)F)(F)F)Cl,0.19045740768711591
+Oc1ccccc1c1ccccc1,0.5902922151589411
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.31010996515071665
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.826274960652512
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.7899979738313723
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.2603086476563934
+C/C=C/c1cc(OC)c(cc1OC)OC,0.31962975321233295
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.8503519088317243
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.4706924148520227
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.26874998106799625
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.8434784339564253
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.12790449016541638
+COc1c2cc3OCOc3cc2nc2c1cco2,0.6042440068510073
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.780617005567468
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.24055017668514816
+Clc1cc(Cl)nc(n1)Cl,0.2229318325249394
+BrCC(C)(C)C,0.5289845771781166
+C1NCCS1,0.21391286353538577
+O=C1CCc2c(O1)cccc2,0.27164865749677036
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.7607639672703008
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.17612125232283063
+CC(=O)Oc1cccc2c1nccc2,0.5248608786735903
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.20833117076257723
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5173970290221366
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0.2035831163441028
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6721354252304723
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.9044748766923508
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.5043172036236788
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.3136735186168446
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.1481877508567393
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.4148541268768127
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5673602775768639
+COc1cc(N)c(cc1N)C,0.7444079251728188
+N#N=Nc1nc2c(n1C)cccc2,0.7528150147433769
+Clc1ccc2c(n1)cccc2,0.5475630038932544
+CNC(=O)C1=NN=C([CH]1)Br,0.2494711524359756
+ClC[C@@H](CBr)Br,0.7289192452176457
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.13298348753722292
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.8270673164834931
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.1897842784984832
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.5352882246196917
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8011617882509726
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.7348134806504091
+O[C@@H](c1ccccc1)C#N,0.2474747198535392
+C/C=C/c1ccc(cc1)OC,0.27777672993709
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.6779672114348724
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.19652848545260895
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.8023134409785669
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.21604860774856893
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.17569731408334321
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.16996422472781345
+Nc1sc2c(n1)C1CCCNC1CC2,0.3278347816838761
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.7391320567119571
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.5037647432553609
+CC(C(=O)O)Cl,0.22349931033786488
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.8722375911622416
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.1980222721348525
+[N-]=[N+]=CC(=O)NCC(=O)N,0.6228173920900894
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5092623696650393
+OC(=O)COc1ccc2c(c1)cccc2,0.43001702620397886
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.5645277197130966
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.16953802073527938
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.443721183206748
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.4578238591769516
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7391709157809288
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.7866569119811915
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.21437379999425177
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.502173438379145
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.7461245960286151
+Clc1ccc2c(c1)c1ccccc1o2,0.35432178450676133
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7731600820719374
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.8296066838201789
+CCCCOC(=O)C,0.21728576113921588
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.22179050565460537
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.4994274458862895
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.5950746019138186
+ClCc1ccc(cc1)Br,0.14432451934941437
+Cc1cccc2c1nn[nH]2,0.43341391774379445
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.3802930384919838
+ON=C,0.23146595514592821
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.8086626511010213
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8274565005198851
+Nc1cnc2c(c1)c1ccccc1cc2,0.7742307701753794
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.6699270249963956
+CCCCCCOC(=O)C(=C)C,0.14529591205380676
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.5846910751011719
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9375443403892093
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.3049233659604962
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.7839235833056972
+BrCCCBr,0.7128992904243884
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.12807587469103773
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.17363816503799498
+OC(=O)CCCOc1ccc(cc1C)Cl,0.17218352559505212
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.6172709453657147
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.16559547807716574
+Nc1nc(N)c2c(n1)[nH]cn2,0.4532182751850037
+ONC(=O)c1ccccc1O,0.4372674446952743
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.1398622893537743
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.5909269947850585
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.7809076168953955
+CC(COC(=O)C(=C)C)O,0.23119945978123216
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.10022235165805464
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.8275000246635034
+CC12CCC(C2(C)C)CC1(C)O,0.13990385482679354
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.18684176900116917
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.8203652778144732
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.21831152622767167
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.43352258999666793
+O=C/C(=C/c1ccccc1)/C,0.5244687066992562
+CCCCCC(=O)N,0.1676409229673799
+ONc1ccc(cc1)C(=O)C,0.7977167049723427
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.8759248292824731
+[S-]C(=S)NC.[Na+],0.22849232777769213
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.44623864791375956
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.7905217129729736
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.7625561877885997
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.7238371702604165
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.7066644341653366
+N#C[Se]Cc1ccccc1,0.2653782138332012
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.7794408633545367
+CN(C=O)N,0.22971689543257018
+C/C(=N\O)/CC,0.35198491037881774
+OCCN1CN(CCO)CN(C1)CCO,0.3311961606872883
+CCCCN(CCC(=O)OC)N=O,0.7145641158610921
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.43600922980088713
+CC1=CC[C@H](CC1)C(O)(C)C,0.110246327971261
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.6009120209710852
+Cc1ccc(c(c1)N)C,0.6539997639567653
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.3707033061389955
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.6852462565024184
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.8318774988867663
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.7336261209334898
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.7426305858006721
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.21165514385728984
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.40483816680849766
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.7216667325025148
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.1898886785996167
+CCOc1ccc(cc1)N(C(=O)C)O,0.44246493513257545
+CCOC(=O)OC(=O)OCC,0.2177339586161471
+Cc1cnc2c(n1)cccc2,0.4953235443741985
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.28275424296524676
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.3948343699812866
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,0.5887844232773923
+COc1cc(C=C)ccc1O,0.2329111756503073
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.189046722045753
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.35775424824376173
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.34710619686161454
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.28369280458201535
+CC1c2ccccc2-c2c1cccc2,0.7969679949031854
+O=NN(CC(=O)C)C,0.829642554086988
+ClCC(=O)NCc1ccccc1,0.45045855105205024
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.7703006066581938
+Nc1c(C)cccc1O,0.4876049436586814
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.723195913890948
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.7246599423272642
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.4538004244652426
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.6418381854629381
+ClCCBr,0.6698281092433617
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.5965365228477308
+Clc1ccc(c(c1)N)N,0.46580184890675147
+Fc1cnc2c(c1)c(N)ccc2,0.6725982424812809
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6996934746467934
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6120794108590055
+O=C/C=C/c1ccc(cc1)N(C)C,0.6586908556403966
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.83303752891503
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.3240362520847572
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.8219726757798985
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.420677000974921
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.48746438162799377
+[O-][N+](=O)[CH-]CCCC,0.18856694797267567
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.7751130492080063
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.8719088433736197
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.8137771464181448
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.19896686444250328
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0.23002510938985063
+O=C1C=C(C)C(=O)c2c1cccc2,0.38566070295155425
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.20317941374386167
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.667739435841527
+Clc1ccc2c(c1)nc(n2C)N,0.5136207486656585
+CC(CCOS(=O)(=O)C)C,0.6589562087238293
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.6285890258328446
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.5013898152234055
+O1COCOC1,0.22727758185419808
+[O-][N+](=O)c1ccc2c(c1)csn2,0.8247245483751233
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.7286839678824474
+ClCc1ccncc1,0.20738620258818713
+OC(=O)CCN=N#N,0.5941439036322707
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.3580281305342911
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.7605982947288561
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.6347395693264202
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.2054024714852405
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7867511753013982
+C=CCCCC[C@@H]1OC1,0.46079531477092334
+CCc1ccccc1N,0.6093268283246839
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.3144228716380107
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.16500192675791986
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.1045549609588744
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.23849608611884124
+O=NN(CC(=O)C)CC(=O)C,0.7922204238781287
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.18564713805005179
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.24436140976257054
+CNC(=O)ON(C(=O)NC)C(=O)C,0.3328663733804633
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.6300853839837706
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.6706857450119338
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.7375279813920583
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.713623933926132
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.7123343783964275
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.3133499090516714
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.5836725866016573
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.259591899871118
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.5613076441040293
+OC(=O)CS.[Na+],0.18032878613225753
+OCC(C(=O)O)N,0.29247327043705357
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.5770522740692803
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.2526696922340422
+ClC=C(C)C,0.39932875555636865
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.19729629478414135
+O=NN1CCSCC1,0.8951201641092958
+Fc1cccnc1,0.21625215233206727
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.14352053075927293
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9367233727719146
+c1ccc2c(c1)Oc1c(O2)cccc1,0.28898384707408287
+OC(C(=O)O)Cn1cncn1,0.14440903082665865
+NCC(=O)Nc1ccccc1,0.32823473763952393
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.42177684209921457
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.8376381356338216
+[O-][N+](=O)C,0.3078334433854667
+C1CC23C(C1)(O3)C=CC=C2,0.2715844758594693
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.47920442015077414
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.7923047871259724
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.8640758546018109
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0.14156780915821016
+CCCCN(N=O)CCCC,0.7765513294880902
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.665837770531025
+[O-][N+](=O)CCl,0.3078334433854667
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.7777457493119224
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.821118024220193
+N#CSCSC#N,0.22727758185419808
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8002829953389614
+Clc1cc(Cl)cc(c1)Cl,0.17851311792316227
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5224219533873116
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7800906808117737
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.19917042571062643
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.2597266663642949
+O=NOC(C)(C)C,0.48487653059046343
+C=CC(=C)CCC=C(C)C,0.18172694133541867
+NC(=O)[C@H]1CO1,0.4916799597824009
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8326027564585833
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.7644115358798493
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.32580395883570684
+OOC1(C)c2ccccc2-c2c1cccc2,0.7138697637978905
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.2761115907595031
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.13352898579538167
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.1492591142551948
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.24953460225617793
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.09494416586943297
+Nc1scc(n1)c1cccnc1,0.5764288156218911
+BrN1C(=O)CCC1=O,0.2290244956175594
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.16380767183288347
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.8740500314133104
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.15087803469326405
+NC(=NC(=N)N)NCCc1ccccc1,0.2921861721970456
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.8447101237292611
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.240576873312109
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7938738672787696
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.2736248453619409
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9396983979968606
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.7567707220749732
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.3898925872071802
+CCOc1cc(C=O)ccc1O,0.19426033427735268
+CC(=C)C(=O)OCC(C)(C)C,0.18684176900116917
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.7247262739966703
+O=NN(CCN(C)C)C,0.8586296668097915
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.2612838988400107
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.7800737445391588
+C[C@@H](c1ccccc1)CCc1ccccc1,0.2540825119160167
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.6915848952583756
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.826075152045403
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.7293437892056579
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.8107807489212175
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3592930738877689
+CCCCC(CCCC)(CCC)S,0.16596367722488936
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.17612125232283063
+Clc1cccc2c1c1ccccc1o2,0.38145256206702116
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.3184084754296791
+N1CCNCC1,0.24827835544322718
+O=C(c1ccccc1N)OCCc1ccccc1,0.3442223665253896
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.6404043102643731
+CCOc1ccc(cc1)N,0.6317267791303603
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8194168848751623
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.8385594735567474
+Oc1cccc2c1OC(C2O)(C)C,0.26815629162211285
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.22124339676035637
+OCc1cc2c([nH]1)c1ncccc1cc2,0.6070044299818831
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.7444755848215368
+CON(C(=O)Nc1ccc(cc1)Br)C,0.13180443347807244
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.837484467553389
+CCCCOC(=O)c1cccc2c1nccc2,0.25336654826640737
+C(C1OC1)Cc1ccccc1,0.7311497780362395
+OC(=O)c1ccccc1.[Na+],0.20316652929350357
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.18964573183112338
+NC(=O)C1CO1,0.4916799597824009
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.14544131654303852
+BrCC=C,0.27279882465612615
+OCc1occ(c(=O)c1)O,0.3498616150992687
+Clc1ccc(cc1)C[C@@H]1OC1,0.5118577331540034
+CCOC(=O)C(=C)C,0.19786823495226546
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.6682878304107159
+Oc1nsc2c1cccc2,0.5355030344746751
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.18338628000909754
+O=Nc1cc2OCOc2cc1O,0.5666240449565786
+CCOc1nc(NC(=O)N)nc(n1)NC,0.18312829421839893
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.747554142673256
+OC(=O)CC(C(=O)O)N,0.19795826207102743
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8242078277591778
+CCNc1nc(NC(C)C)nc(n1)Cl,0.23048552038801423
+ClCCN(P(=O)(O)N)CCCl,0.8459127735215662
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.7623058647486352
+O=C(C(F)(F)F)C(F)(F)F,0.22082607397369716
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.7252976579527706
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.23813375371665033
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.8267136116081382
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7976915344989812
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,0.25516921807898835
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.7116899039918916
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.12665330040985082
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.7343721332227793
+CC(=O)Nc1ccc2c(n1)cccc2,0.5662579188632817
+CCSCSP(=S)(OCC)OCC,0.2369261346251623
+OC(=O)Cn1cncn1,0.155384887375699
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5247311236771229
+NC(=O)c1cccnc1,0.1928050089992513
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.8232962249647469
+CCOP(=S)(SCSC(C)(C)C)OCC,0.22665102289993846
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.7828503207603195
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.6171925685037248
+Cc1cc(C)c2c(c1N)nsn2,0.5553920338362768
+CCc1cccc2c1nccc2,0.5372144113822952
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.49623439905606426
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.4419748182073416
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.8031080412689346
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7775966081415326
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.7032223655125767
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.20158774963407006
+CCC(C(=O)NC(=O)N)(CC)Br,0.22828192394264932
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.22226311088107265
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.2963037301991672
+ClCc1cnc(nc1Cl)Cl,0.2035872499305174
+ClCc1ccc(cc1)OC(=O)C,0.3019519899954799
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.14862809589249829
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.7820009759771805
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.14011301651820815
+CCOCC,0.2236352339338072
+CC(OC(Cl)(C)C)(Cl)C,0.22727758185419808
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.14903666923459752
+O=C1C=CC(=O)C(=C1)Cl,0.4781878394175295
+CCCCN(C[C@@H](CC)O)N=O,0.7354060354429487
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.40695915904271696
+CC(c1ccccc1)Cl,0.26402427525400907
+CNC(=O)N(C(=O)C)O,0.27893113011800974
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.30355771106198337
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.7983255156443811
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.8422616759370825
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.7431250609253883
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.7330681270893478
+CCCCCCCC(=O)Cl,0.19277466257925108
+O=NN1CCC[C@@H](C1)Cl,0.9211865122493372
+CC(C(=O)OC)CN=N#N,0.8948519569693626
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.8011435665268437
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.526452058596564
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.4027473385127486
+OC1C2OC2c2c(C1O)cccn2,0.39598126547073603
+Fc1cc2cccnc2c2c1cccn2,0.6282983381230334
+CC[N+](=NC)[O-],0.26987658385141433
+OC(=O)/C=C/c1ccccc1,0.2539209407937083
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.8644939194538143
+CS(=O)(=O)O,0.22844709889734663
+C([C@@H]1OC1)C[C@@H]1OC1,0.6811352559460174
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.8034706915954081
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0.2555799526184807
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.1398684188426677
+Oc1ncc(cc1N)c1ccncc1,0.5879351455489905
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.80102221832843
+Fc1cnc2c(c1)ccc1c2cccc1,0.7161551575234961
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.7049840946459413
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.6992886693418748
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.45458890332138063
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.540718283192923
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.09997662311940582
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.5698977034952618
+N#Cc1c(Cl)cccc1Cl,0.20597029715829154
+CC(Nc1ccccc1)C,0.48545224765339234
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.729366518557027
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.30306970141113854
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.13481539989519573
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.8533600802100411
+FC(C(F)(F)F)C(F)(F)F,0.19214133420122645
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.7189100945608989
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.22587758133031635
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.1761373713543252
+[O-][N+](=O)c1ccccc1Br,0.7242124492886015
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.5082911359290552
+CCCCCCCCSCN1C=CN(C1)C,0.17267063023942714
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.1398622893537743
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9247369928385032
+CNC(=O)O/N=C\C(SC)(C)C,0.28915749740917474
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.2132314146050688
+CCSC(=O)N1CCCCCC1,0.18212145077096167
+CC(=C)C=O,0.566295285678498
+Cc1cccc2c1cccn2,0.5422795656058949
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.815597120609521
+O1C2C1c1cscc1-c1c2csc1,0.5551961627689438
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.5241294941012373
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.6960473870835688
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.65354778959449
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.2587412032615587
+OC(=O)Cc1ccc(cc1)Cl,0.1831773263181136
+NCCCCCCCCCCC(=O)O,0.14928001069873467
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.7749074735673825
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.7700933748887214
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7904411118696922
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.7941332185863678
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.31357942775335984
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.1572451630100677
+Sc1[nH]cnc2-c1ncn2,0.5624450794611485
+Clc1ccc2c(c1)nc([nH]2)N,0.3615634501117226
+BrCc1ccccc1[N+](=O)[O-],0.723218736942509
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.5841064904098939
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.5080055325250672
+OC(=O)c1cc(O)c(c(c1)O)O,0.19646786159200696
+NCc1ccc(cc1)CN,0.225294715624937
+CNC(=O)ON=C(SC)C,0.2980420912734402
+N#Cc1ccc2c(c1)nc([nH]2)N,0.48815461152436107
+[O-][N+](=O)c1ccccc1N,0.7739377270885902
+O=NN(Cc1ccc(cc1)C)C,0.8421121739734867
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7569652031991141
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.8067439769879955
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.6595256805697193
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.660930205088348
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.7379738778505835
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.15133821929024785
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.2161920807270556
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.3507406572271383
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.8512876506886559
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.7604064918800458
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.6933570736397842
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.26402278005783497
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.8227991348359787
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.6482133620669892
+CC(c1ccccc1)CCN=N#N,0.8719135899545135
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.8138754619207029
+O1C(C1c1ccccc1)c1ccccc1,0.4630361018616846
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.1300091365075061
+BrCc1ccc(cc1)[N+](=O)[O-],0.7679245985316812
+COC(=O)c1ccc(cc1)CN(N=O)C,0.599561075231383
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.7329002836516676
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.37936119132886886
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.19700339108434708
+O=NN(COC(=O)C)C,0.8552978449614858
+ONc1ccc(cc1)N=O,0.8621361126709117
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.506684308178456
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.2517216255164491
+O=C(OC(C)(C)C)CN=N#N,0.7491098266812161
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.2869479545877913
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.7860967750963223
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.16413559117108925
+O=Cc1ccc(cc1Cl)Cl,0.18909188141150132
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6429938706851205
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.6523579767007338
+N#CC1=C(SCCS1)C#N,0.2209927673483994
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.1654983143000205
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.14075030550463868
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.3083421703672381
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.2338673953297098
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.23755688901090352
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.7732867785751165
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7741189164439669
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.5945349168479352
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.6102351594663382
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.2054024714852405
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.23707093025577894
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.7296689959135159
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6449849056419172
+CN(N=O)C[C@@H](CO)O,0.8260457482518844
+OC(=S)c1ccccc1,0.2708807082056573
+NC(=S)NNC(=S)N,0.2317174749580363
+O=C/C=C/c1ccco1,0.6314137859206738
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.29073769072293343
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,0.1272534676253187
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.6017199829307242
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.20501098210578292
+Oc1ccc(cc1)Cl,0.19218549034959626
+O=C1NCCN1c1nccs1,0.41583676017363874
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.142537422241584
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.6511674676737247
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6115710908070034
+CCCCCCCC[C@H]1CO1,0.31847772013343195
+ONc1ccc(cc1)Oc1ccccc1,0.826822512779638
+BrC(Br)Br,0.22727758185419808
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.1571426046364455
+C1CCOCO1,0.2718576764226292
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.22279391962238063
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7515528547206014
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7365726287384272
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.84838578812493
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.8150159614829703
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.7827472177849533
+OC(=O)C(CCl)Cl,0.4049356211209574
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.41511343655438265
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.3119971400768357
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.7488865281816305
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.4102820009628874
+O=Cc1cccc(c1Cl)Cl,0.19923745830789
+OC=O,0.22727758185419808
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3[N@]4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.1052564825809207
+N#Cc1ccc(cc1)C1(C)OC1,0.3834952892150645
+COc1ccc(cc1)CC[C@@H]1OC1,0.7375045759242939
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6909787142897565
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.7264239827125503
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.6409850326465443
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.9326176545947839
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.17045737330198454
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.2112507122807447
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.7592129112012792
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.1462364043129977
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.7740289315042674
+CCN(c1ccccc1)CC,0.5693341246615483
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.18377074051167464
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.3323116340720142
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.7164742289397308
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.606128312405319
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.3944859332148492
+Nc1ccccc1O,0.6066934371499205
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.6815765279634013
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.47712046125231317
+CC[C@H](OS(=O)(=O)C)C,0.6189063321002254
+NC(=O)N(c1ccccc1)c1ccccc1,0.269022751838045
+Nc1cccc(c1C)N.Cl.Cl,0.6465086630965107
+ONc1ccc(cc1C)C,0.7978607866327436
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.7549270054249821
+C=CC(=O)OCC(C)(C)C,0.18603786019471302
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.43325502599055876
+Br[C@@H](C=O)CBr,0.7062251241391312
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.4599176711990304
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7803157497674066
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.18790018849442688
+CNC(=O)O/N=C/C(SC)(C)C,0.28915749740917474
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.13582490461163726
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.22844527175174395
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.8001402554470364
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.19105435461956516
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.8204691927279159
+ClCCCN(COC(=O)C)N=O,0.8539091086059917
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.49141132069951077
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.6710077030250863
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.740211177577238
+ClCCC(=O)N(c1snc2c1cccc2)C,0.49331897397438335
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.6383744516973199
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.6002322031438223
+Nc1ccc(cc1)N=Nc1ccccc1,0.7001949819884008
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.2550623088065771
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.1838145214996321
+CCC1(C)CO1,0.238012178574262
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.22801079080942196
+CCCCN(/C(=N/O)/C=O)N=O,0.5644707023679824
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.13950965527418524
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.6598531426828118
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.7336032098597949
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.5407032245670619
+NCCN1CCNCC1,0.3616394013692489
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.2721289899773046
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.15243418601824352
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.8621573676541948
+COc1nc2c(CBr)cccc2nc1OC,0.5397993927689627
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.7585332922165039
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.7953949648901366
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.8732702080682074
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5051845947465283
+C[C@H](COC(C)(C)C)O,0.46789614821437875
+CCOCC(=O)O,0.19408582227756194
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.7184256076808745
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.6261684104459642
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.18233410897180594
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.6528201337378733
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.5913548478078767
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.24571663596609453
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.6327453803090266
+Oc1c(O)cccc1O,0.2748220469571089
+CCCc1ccc2c(c1)OCO2,0.23438590492058703
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.19804450546956365
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.763352062772792
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7338864377234284
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.13990385482679354
+c1ccc(cc1)Nc1ccccc1,0.4425961945341477
+OC(=O)C1CC1,0.18082318898402125
+CC(COC(=O)C(=C)C)C,0.19022056006241425
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.7747334581434855
+CC(CC(=O)Nc1snc2c1cccc2)C,0.37784621122770845
+OCc1ccccc1[N+](=O)[O-],0.7116873447635673
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.23548502372339802
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.14129014738060908
+O=C=S,0.22727758185419808
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.2199439702130008
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.20215688106660304
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.281477754622422
+CNC(=O)c1ccccc1,0.289127451579234
+CC(C(CBr)Br)Cl,0.7616255178554384
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.1285301298032647
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.14011301651820815
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.8073407354309052
+Nc1ccc(cc1)c1ccccc1,0.7097930436292073
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.44424552602194234
+COc1cc(OC)c(cc1C1OC1C)OC,0.41264821518045913
+COP(=O)OC,0.22798052733874621
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.4292124330599245
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.14244067449743658
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.3694673393219253
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.4416178986836883
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.7680247767517269
+OC(=O)CS,0.19469915381969247
+[C-]#N,0.22727758185419808
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8406326053798171
+c1cccs1,0.23398522259229299
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.1942252952618479
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.231612108339265
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.7917123859585871
+C/C=C/C,0.23773228544906666
+CCCCOC(=O)C=C,0.161525065381712
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.7199090919038954
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.6804562575836365
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.8591094946443437
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.14439394714569065
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.7462824620754624
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.4724844296198735
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.1500754939837236
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.13132180953524983
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.7931029588382051
+CC(Cc1ccccc1)N,0.23117015629674653
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.7790003406909611
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.18471060792590566
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.14654505444972926
+C=CCc1ccc(c(c1)O)O,0.19598693885878246
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],0.7951115621469224
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.7889514010559778
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.24521860923165753
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.14432863296451345
+c1cccnc1,0.2536181443306692
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.20724791770829223
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.7432426643483048
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.7436564606640385
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.312687980025372
+[O-][N+](=O)CCC,0.2664055979394691
+OC(=O)[C@@H]1CSCN1,0.22227256819228333
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.2657548045276028
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.8400186801816865
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.6507320486116188
+C1COCCS1,0.28040790101068663
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.6946407859492295
+Oc1ccc2c(c1)OCO2,0.2626235658931426
+O=c1ccc(c[nH]1)C(F)(F)F,0.16040237304407406
+CCOC(=O)C[n+]1csc2c1cccc2,0.36905937358068874
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.5882369614120401
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.3129375742774466
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.600927881766237
+CCc1cccc(c1N)C,0.5221191992101182
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.8193096861186381
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.42700808099795806
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.15695470871267705
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.5823318936735222
+C[C@H]([C@@H](CBr)Br)Cl,0.7616255178554384
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.8034996105265786
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.18442657083522507
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.222031583442356
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.3407444324212391
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.6104200788650426
+OO[C@@H]1CCCc2c1cccc2,0.5622354890282356
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.17019420609514588
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.6915848952583756
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.7029786468663001
+O=CN(c1ccccc1)O,0.46119304768443303
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.1523394844309266
+O=C(Nc1ccccc1)CC(=O)C,0.24407201302741272
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.7828611064973682
+CCOS(=O)(=O)OCC,0.42871719023902993
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.8710792315770617
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.3628631198635721
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.7893642517149647
+CO[C@@H]1OC1(C)C,0.2711515471260803
+[O-][N+](=O)[C@@H](CC)Cl,0.24184313252833667
+O=NC([N+](=O)[O-])(C)C,0.3078334433854667
+Clc1ccc(cc1)Cl,0.189656631382325
+N#CCC[C@H](C#N)C,0.2133120795115984
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.46688276056859707
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.409096208423912
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7738286333633565
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.24310514029757183
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.7917576554928724
+O=C([C@@H]1OC1)NCc1ccccc1,0.5805448882037233
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.23665738401726866
+CCC(=O)O.[Na+],0.1541760687250352
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.29259290009230643
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.23338140070182667
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6519801164480351
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.7500568702997177
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.22506861094921388
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.7315409073670338
+Nc1cnc2c(c1)cccc2,0.6691218808428614
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.7762652035192833
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.5424713464778773
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.22530533452107807
+COc1ccc2c(c1)nc(n2C)N,0.701482542369401
+O1C=CC2C(C=C1)O2,0.3503273721361427
+Nc1sc2c(n1)c(C)ccc2,0.5137446622816877
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.12807587469103773
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.3344219112625869
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.5476087877728983
+O=Cc1ccc(cc1)N,0.6326404087888482
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.7421771072208555
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.772802450192528
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.843588952916569
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5920644842710953
+O1Cc2c(C1)cccc2,0.26459035480815285
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.8055862364082924
+C[Si](N[Si](C)(C)C)(C)C,0.22727758185419808
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.7937148117129375
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.5782127061809461
+O=C(c1ccccc1)OOC(C)(C)C,0.22180274754964044
+CS(=O)C,0.23958579801726088
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.30306970141113854
+CC(=O)c1ccccc1,0.26733884026071203
+O=C1OC2=CCO[C@H](C2=C1)O,0.4980538654854502
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.9187697537164241
+N#CCC#N,0.21757413888819674
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.24244410230623312
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.49757358288974424
+CCCCCC/C=C\CCCCCCOC(=O)C,0.17164655766728587
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.4002183178307146
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.21335765815934543
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.4540734806394872
+Nc1ccccc1.Cl,0.6534806990365924
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.182016456537182
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7216552800877418
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.6508475185365217
+FC[C@H]1CO1,0.7456567263530715
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.6566258384052989
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.41087261694102895
+NC1CCCC(C1)N,0.16341610616628402
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.20876766741288005
+COC(=O)c1ccccc1O,0.15371232987968905
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.8307629397058794
+CC(c1ccc(cc1)NC(=O)N)C,0.18050281635654544
+O=C1COC(=C1O)C,0.32998228802787016
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.776520018657671
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,0.3987882574900683
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.14726073136092546
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.8216190393202693
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.3078334433854667
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.8005974813891638
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.7422744090733803
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.801801031320126
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.17036261987883378
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.6689439041098109
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.6103197662574772
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.866957497551706
+CCNc1nc(NC(C)C)nc(n1)O,0.2078744861060721
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.06847151321006383
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.6946435985179678
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.1671581309671806
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.5123736255442174
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.7633581527852926
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.2482845456243093
+O/N=C/C1N(CCN(C)C)C=CN1C,0.22393049868647627
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.7739695702060894
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.4249020237223007
+CCN(c1ccccc1)N=O,0.6600287859061285
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.43293421400848964
+CCCCN(CCCC)CCO,0.16859819646355975
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.6984598634449837
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.26702971336456677
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.24269956787816058
+c1coc(c1)c1nc2c([nH]1)cccc2,0.5040449065683472
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.2956158330369147
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.3588911451005927
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.7513682875879456
+[O-][N+](=O)/C=C/c1ccco1,0.3354721380721441
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6229711502110726
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7443173924122383
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5708208205883794
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.7764455535997359
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.7326201054408918
+O=C(C1(C)OC1)Nc1ccccc1,0.4815203387105667
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8579813266554471
+Fc1ccc(c(c1)F)N,0.6169103197524058
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5345540895169406
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.7776230669344085
+CCCCOCC=O,0.21517708392211596
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.3694799180553502
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.15134777300977073
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.812408737808174
+N#CC1=Cc2c3c1cccc3ccc2,0.6778176829318524
+OC(=O)c1cc(O)c2c(n1)cccc2,0.49759961194030417
+Cc1cccc(c1O)C,0.24949910432072508
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7791573970563227
+OC(=O)CC[C@@H](C(=O)O)N,0.18186521555749136
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.1809836437667877
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.6636342530941751
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.81581467426349
+COCC12OOC2(C)c2c(O1)cccc2,0.5480882591428271
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.22667778743595338
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.6482540977984016
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8649566551876592
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.6821158090064727
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.7726429711377834
+OC(=O)c1cccc2c1OC(O2)(F)F,0.2054716896867181
+CC1=CCC(CC1)C(O)(C)C,0.11171464359748676
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.24570079747037418
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.6522526301483634
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.1360692161840269
+C[C@]1(OC1)c1ccccc1,0.4239892024618626
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.17537508392806947
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.7564752777411589
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.7944505032727902
+CC[C@H]([C@@H](CO)C)C,0.17936753736727445
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.34518022068625065
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8428709354289893
+OCCBr,0.6815443003213993
+OCNC(=O)C=C,0.2976337950973843
+Oc1nc(O)nc(c1)C(=O)O,0.1859539448296321
+C/C(=C\C)/C#N,0.23901013452182507
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.2218620079944675
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.16674513968910756
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.11497708538783355
+OCc1c(CO)cnc(c1O)C.Cl,0.18990177129050959
+C=C1CCC2CC1C2(C)C,0.14025563709743355
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.8203418615618288
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.5965731853695225
+C[n+]1cccc(c1)OC(=O)N(C)C,0.309458108165027
+C[C@H]1CN1,0.1916304089998958
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7954733658073928
+c1ccc2c(c1)nccc2,0.5843593951663193
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,0.18827031884437911
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.2971302560507381
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.8467493026491445
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.6237790869896426
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.18978189747266452
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.35443516854604135
+ONC(=O)c1ccc(c(c1)O)O,0.403324881851313
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.23351227290508897
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.8691692103714597
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.17576696622594223
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8194688426326983
+OC[C@@H](CCl)Cl,0.6126500736570821
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.5346226333768631
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.44036514489508244
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.7438112807201271
+N#CC(C(C#N)(C)C)(C)C,0.2274845239156259
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.4976907112298906
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.6904319473012924
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.488848407977104
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.7257895176788118
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.6189917661219191
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.6582257588543595
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.7613134735118054
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.8258273244148933
+ClCCN(CCCl)CCCl,0.7222833180072403
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.13772181981523934
+Fc1cc2cccnc2c2c1cccc2,0.6544627084134189
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.1989215555730178
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.7376091811708149
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.7950999607341811
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8212524103939748
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.7660719631618748
+c1ccc2c(c1)c1ccccc1cc2,0.7577414632094155
+CCCCCCCCC=O,0.16679413272033158
+CCOC(=O)C(=O)C,0.23739759722516182
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.1987259102164024
+CCCCCON=O,0.302105188213337
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.214269604698377
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.7460373500820434
+CCCCN(CCC(=O)O)N=O,0.6530025202421477
+CCO,0.23435038127260038
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.21722437089433103
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.6683502195599459
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.13874246825947528
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.2922909620912699
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.4974384332457938
+[O-][N+](=O)NC,0.3621223527332208
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.4929760823813316
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.730449715365406
+CC(O)(C)C,0.24537887686791915
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.17468103198538668
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.2557963035179744
+CC(C(=O)N)Br,0.6324242921655298
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.6882492045457743
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.48862635510417485
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.21181188681558907
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.1512241617895463
+O=NN(C(C(=O)C)OC(=O)C)C,0.812938804749999
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.7437397631484078
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.16493454039971833
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.24343233387978563
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7837745199607502
+Nc1ccc2c(c1)c1ccccc1n2C,0.7928786255853283
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.779424670004884
+OCC(C(c1ccccc1)N=N#N)O,0.708746227130008
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.27156219061055914
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9355126892256398
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.5480699192201416
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.2888150091108059
+COS(=O)(=O)C,0.8240379777510175
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.7607928666729543
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.15362439174678585
+NC(=O)Cc1cccc2c1cccc2,0.6943039071094178
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.16650355905394265
+c1ccc(cc1)Nc1cccc2c1cccc2,0.7013096607308029
+[O-][N+](=O)c1cccc2c1nsc2,0.7850318404710885
+O[C@@H]1OC(=O)C=C1CCl,0.712669309423285
+Nc1[nH]nc(n1)N,0.20318515345646304
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.8009677064582646
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7800810916766154
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8260488252447594
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.8247483425110331
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.6704017794261559
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.8312650829643311
+OC(=O)C[C@H](C(=O)O)O,0.14791097830713057
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.5175231497889489
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.1802448629430605
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.4742442725388155
+O=NN(c1ccccc1)COC(=O)C,0.6208663615824722
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.21722437089433103
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.5151767414925913
+O=C1C=CC(=O)C=C1,0.24287968616871433
+O1C[C@@H]1Cc1ccccc1,0.821774885291707
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.15104386018040888
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.2099919068321591
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.7203946061030327
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.8154678279797228
+Nc1ccc2c(c1)cns2,0.7235963781427495
+C1CCCCNC1,0.181078755402087
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.5081302898153767
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9093917655196733
+CCCCC/C(=C\c1ccccc1)/C=O,0.2710074281179109
+C[C@H]1CS1,0.2348573837501195
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.18706990807528293
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.7513874694303464
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.1345653827401762
+[O-][N+](=O)c1ccccc1C(=O)C,0.7377715031634521
+S=C(NC1CCCCC1)NC1CCCCC1,0.20934128868893637
+O=C/C(=C/c1ccccc1)/Br,0.5527125799486657
+CC(CNc1snc2c1cccc2)C,0.350707733508659
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.5126052166042033
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.6836458370406228
+OC(=O)CC(C(=O)O)O,0.14791097830713057
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.7661527646414742
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.7891053563326522
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.13276590396173055
+OCC(=O)Nc1c(CC)cccc1CC,0.30990685505204885
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.7787399374288443
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.7346334552051187
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.7502909913059816
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.834990600063768
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.2838994041437434
+Nc1nc2c(s1)cccc2,0.5166739128738691
+NC(=N)S(=O)O,0.23336240739776953
+O=NN1CCCC[C@H]1C,0.7586728059988636
+O=CCC(CCC=C(C)C)C,0.15317153807842748
+OC(=O)c1cccc(c1)C(=O)O,0.2067508224377885
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.5428384999322204
+Nc1ccccc1N,0.629280596944356
+OCC(CBr)(Br)C,0.6175854159319504
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.8576546932746318
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.2235761077433764
+OC(=O)c1ccc(c(c1)N)C,0.45889507082059516
+Nc1ccccc1c1ccccc1,0.7392714400170219
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.13261974357458314
+CCc1cccc(c1N)CC,0.47911213993700524
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.7804057807823993
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.7342484862526314
+C/C=C/c1ccc2c(c1)OCO2,0.257653180951757
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.7973319764128272
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.5289030315862283
+Nc1cn[nH]c(=O)c1Cl,0.38405227531912267
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.7613586024725156
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.6424362271995495
+Nc1cccc(c1)[N+](=O)[O-],0.7934393563932576
+O=C1OC(=O)c2c1cccc2,0.245452188796036
+ClCC(=O)c1ccccc1,0.36423685349547424
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.8200974500722291
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.7253717157922224
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.846991194928065
+ClC(Br)Br,0.23336240739776953
+Fc1ccc(c2c1ccc1c2cccn1)F,0.6576002849188419
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.4710522501514231
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.3050030695599661
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8989550608267027
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.5082854398196833
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.8588236849152943
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.23635600187089945
+CC(=O)c1ccccn1,0.30957473487940446
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.23603081307951354
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.7491293529573008
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.6807022947972343
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.8946230431407669
+BrC(C(Br)Br)Br,0.2361234410358189
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.798851283898743
+CC(OC(=O)C(=C)C)C,0.20862257768329265
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,0.5432366890417807
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.8883957848846498
+O=CC1C=COC=C1,0.3765602347875753
+COc1nncc2c1cccc2,0.48139930638504286
+C1=C[C@@H]2[C@H](C=C1)O2,0.300533419100383
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.1616940937423841
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.5687194650608458
+Nc1ccc(cc1)/N=N/c1ccccc1,0.699772614707186
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.1519168855517729
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.7399335606873447
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.5772942406429146
+O=C/C=C\c1ccccc1OC,0.5210354626877975
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.15346360522184074
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9372057239574755
+O=C(C1OC1)Nc1ccccc1,0.5918005393271825
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.6121455441724813
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.23212328102054766
+Cc1ccc(c(c1O)C)C,0.21776990905912813
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.8097656944905613
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.5814688580686537
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.5942825516349084
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.8624293523141623
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.5815589015169248
+ONc1ccccc1,0.8788220339726505
+CCCN(CCCCO)N=O,0.8474196419599311
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.4699412735341412
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.47412336250035597
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.86625938610502
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.8468433765825413
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.4281200916303798
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.7990785496438558
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9163377468504171
+CNC[C@H](c1cccc(c1)O)O,0.21210990988844297
+Oc1cccc2c1cccn2,0.5599454119223585
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.6334166073085324
+Cc1cc(C)cc(c1)C,0.2098033021426372
+[O-][N+](=O)c1cncn1C,0.8011823751124009
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.64173547498355
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.6321133660223511
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.6101858758003614
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7574595670652158
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.8367006647294083
+c1ccc2c(c1)oc1c2cccc1,0.48445115598567023
+BrC(C=O)CBr,0.7116681753830499
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8503897098348426
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.2838994041437434
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6583479840417982
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.21219118919855692
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.7484961534668819
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.6820159372476707
+Nc1ccc2c(c1)cccn2,0.7237237387000859
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.9241892874728894
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.4596503705663414
+O=C=Nc1cccc2c1cccc2N=C=O,0.5727922114578786
+CCOc1ccccc1[N+](=O)[O-],0.7107335489363047
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.7845113741564642
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.7967611533945907
+NNc1nnc(c2c1cccc2)NN,0.7444309770704345
+CCCC(=O)OCCC(C)C,0.15139990030865627
+ClCc1ccc(cc1)OC,0.2692712814250684
+O=c1ccoc(c1O)C,0.3572047961886164
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.7390192666388643
+O=NN(CC(=O)O)CC(=O)O,0.623572005715539
+Oc1nc(Cl)nc(n1)Cl,0.22706233058200825
+ClCC(=O)Nc1snc2c1cccc2,0.5218910756827941
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.6896680715362532
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.24241843513819344
+O=C1c2ccccc2C(=O)C1(O)O,0.27103873047123433
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.23657961294215718
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.6938502143590218
+ClCCC(CBr)Br,0.7838137330008209
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.466262234560812
+O=NN(C(=O)N)C,0.9206899955839133
+ClCCN(C(=O)NCC(=O)N)N=O,0.9112956786906888
+CC(=O)Nc1ccc(cc1)O,0.2970328882155788
+Cc1ccc(c(c1)N)N,0.630022052622494
+OCCN(N=O)CC,0.9053713291947031
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.8162675674022136
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.28061577084012873
+[O-][n+]1ncc2c(c1)nccc2,0.5021894676025349
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.13186337672076023
+Cc1ccc2c(c1C)c1ccccc1cc2,0.7775445252958184
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6648850791846519
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.28161990787681634
+N/N=c/1\sc2c(n1C)cccc2,0.5476486397092184
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.5890219058721731
+Fc1cnc2c(c1)c1ncccc1cc2,0.6527256682504088
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.1264758892937153
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.8340322783048778
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.34134618633085645
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.7530728880901891
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.6982303966699263
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.21330406890435227
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.40142742518797025
+CC(=O)OCN([N+](=O)[O-])C,0.5216609981164227
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.8050005792338314
+CC#N,0.2274845239156259
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.14924224764505178
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.8062411080758718
+CCCN(C(=O)SCC)CCC,0.22492466763296226
+OC(=O)CBr,0.20181042680860364
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.3002133922515902
+CC(CC(=O)CC(C)C)C,0.2194860566093975
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.6587733823765608
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.1841315529989884
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.7535909793349956
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.7694397013442988
+O=Nc1ccc(cc1)Oc1ccccc1,0.7527779130347997
+CC(=S)N,0.23336240739776953
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.13069647498538584
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.18328850470671715
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.805481747983042
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.8095103321528324
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.8388399438207591
+CC([N+](=O)[O-])(Cl)C,0.3483868582957685
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.789316155398798
+N#Cc1cc(Br)c(c(c1)Br)O,0.17203283226713212
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.7792586738760496
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.2813597348859271
+CC(=C)C1CCC2(C(C1)O2)C,0.21170578796996897
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.21908741994707087
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.48586960050006667
+CC(=O)Nc1cccc(c1C(=O)O)N,0.45769361023796207
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.3132978908424498
+Nc1ccc2c(c1)nccc2,0.6999880648811683
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.11861093838994431
+Clc1nncc2c1cccn2,0.5039017855448843
+NC(C(=O)O)Cc1ccccc1,0.2500207355380092
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.7569619271236094
+CC(=O)CC(=O)C,0.19523775462577175
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.15950551396339657
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.7827889493353586
+CCOC(=O)N(C)C,0.2977974969011483
+OC(=O)c1cccc(c1Cl)Cl,0.18833319362957207
+Nc1cc2nc3ccccc3nc2cc1O,0.725676166944461
+O=Nc1ccccc1c1ccccc1,0.7294553917762889
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.7798929192367376
+CCC(=O)C(=O)C,0.39587170717632764
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.7085456683683994
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.13302927240716397
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.1807690970943379
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.16736940776517328
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.7652305916763541
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.8622478854348952
+OCN=N,0.2491866304093187
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.8077848621858991
+Nc1cccc2c1cccc2N,0.7029630479287813
+CCOC(=O)[C@H](Br)C,0.5160578581055033
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.6779893774132293
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7762140152041287
+CNc1ccc2c(c1C)nc(cn2)C,0.7241427416452187
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.2939897860079948
+CCCCC=O,0.20254895468163842
+OCC(CBr)(CBr)CO,0.6446352672369994
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.7862365801459686
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.8569230873862771
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.14317134214801017
+O=C1NS(=O)(=O)c2c1scc2,0.17365148466908623
+OC(CN=N#N)CN=N#N,0.9279957903634919
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.8247964855416745
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.7163619789057093
+CC(OP(=O)(F)C)C,0.23915560750412998
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.19444962021609888
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.2776511956230353
+c1ccc2c(n1)C1OC1C1C2O1,0.25938532415294396
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.15089440923504246
+Clc1ccc(cc1)S(=O)(=O)C,0.18917629972962455
+C=CC(=O)OCCCCCC(C)C,0.13496238572108665
+OCCOCCOCCO,0.2230430885698166
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.4452560615077171
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8696281815879661
+CCCC(=O)Cl,0.33391249827556974
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.34934373282559417
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.18807043720957445
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.7886988451387733
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.15026754617273622
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.811696830218254
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.1889810735605699
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.16746877902194063
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.20002206848976598
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.7357736618965579
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.8407130562098324
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.3547731019663456
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.273343660012791
+Cc1cccc(c1)C,0.24137529336217683
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.8100881178390049
+CCCCOCCCC,0.19203451554928444
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.19029838654000567
+Nc1ccc(cc1Cl)C(F)(F)F,0.3609651434488533
+CN1CCC[C@@H]1c1cccnc1,0.17189092531603284
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.39119919871029063
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.1525950570409896
+OCc1ccco1,0.3724058620700927
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.5165215395590668
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7630649398997945
+CCCCOB(OCCCC)OCCCC,0.19419980308141072
+CC[C@H]1CO1,0.5990023568336279
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.24799643322109532
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7900335008888455
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.8494485742112394
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.492065384781597
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.7841055021825453
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.49530416252107096
+O=C=Nc1ccc(cc1)N=C=O,0.4621723978109536
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.5736534369587051
+C[C@H](CCC(=O)c1cocc1)O,0.300111445951734
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.8537959993829612
+CCCC[C@H](CN)CC,0.15469223614447936
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.7057842049720088
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.5737559722998433
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.6335103346206223
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8672064828506908
+Cc1cc(nc(n1)N)C1CC1,0.18478677166092103
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.8340322783048778
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9332699685732876
+Nc1cc(Cl)cc(c1)Cl,0.40876085097142556
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.7725405491531376
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.7534742225481991
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.2090725339889428
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.23110683736677307
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.537609123869252
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.21934158731540196
+C=CCOC(=O)c1ccccc1N,0.3727580578924593
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7781318632432167
+CC1CCCC1,0.1638823137950153
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.6513402921483356
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.23832257296370302
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.17833540729389288
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.22131852242379343
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.6904078430784858
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.807917906206903
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.13458806436673704
+c1ccc(cc1)c1ccccc1,0.6245483770900712
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7808667111172688
+O=C1C=CC(=O)c2c1c(O)ccc2,0.440451717712042
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.2605496394624235
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6121248873334424
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.16902587237663305
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.6634495744337251
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.7973720251894784
+CNc1ccc(cc1)[N+](=O)[O-],0.7920540526290272
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.2306702818024939
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.8929997054585799
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.5208287290452639
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.48421418839793917
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7417308595700319
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.789515634164049
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8243544422783878
+CN(N=Nc1ccc(cc1)Br)C,0.6124313585322383
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.6428585259966734
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.22340320601791547
+COc1cc(ccc1OC)CC1CO1,0.8024349387164552
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.165624308882315
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.7277091876897368
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.2274845239156259
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7748622844348629
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.4438873807409484
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.13135284878653056
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.7462510257417079
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.29532364179779713
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.2880092746496546
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.8220175809167891
+COCCCN,0.2752423292450019
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,0.15787693210756074
+c1ccc2c(c1)Sc1c(N2)cccc1,0.4137599175365587
+CC(=CCC1CCCC1=O)C,0.13169075473125993
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.43304313382304693
+NC(=O)NCC(=O)O,0.2609930886399383
+O=C1CC[C@H](N1C)c1cccnc1,0.16196554326485896
+CC(=O)O,0.18663088113885695
+FC(OC(C(F)(F)F)Cl)F,0.2535716067484772
+CC=C,0.24453680510527526
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.5269945839924638
+ClCCN(C(=O)NC1CCCCC1)N=O,0.7722026530650109
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.17988849761561473
+CC(C(C)(C)C)OP(=O)(Cl)C,0.17718969233584028
+BrCc1c2ccccc2c(c2c1cccc2)C,0.6915819053910661
+BrC(C1=C(Br)C(=O)OC1)Br,0.6848243571408339
+CCCCCCCCCCCCCCCCCCO,0.1614636999005688
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.6400299725943727
+CN(/N=N/c1ccc(cc1)Cl)C,0.46006017189059
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.49675140099768056
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.7538368495098292
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.7529667373505358
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.7538182169085852
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.40699341539694467
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.7439160858144356
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.23499692909083494
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0.18961857618451977
+O=C1NCC(=O)N1,0.32541986967280545
+CCCC[C@@H](C(=O)O)CC,0.16244860910246586
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.7869827024103492
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.4430251303683446
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.792860867714229
+Cn1cnc2c1ccc1c2cccn1,0.7409373250619429
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.15533461767560733
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7730432947052036
+NCc1cccc(c1)CN,0.25416150544251737
+CCCCCCCCCCCCc1ccccc1,0.1926476864770369
+C=CCc1ccc(cc1)O,0.19406820499436953
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.11803050942025026
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.18137935417181292
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.6546614739873243
+O=c1[nH][nH]c2c1cccc2,0.5009913019701162
+C/C=C/C1OC(=O)C=CC1O,0.35074168747047946
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.774761142019342
+Brc1cccc(c1)[N+](=O)[O-],0.7516133002844292
+Clc1ccc(c(c1)Cl)O,0.18560482856418997
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.3798380495162454
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.5695555400196742
+CNCC(c1ccc(c(c1)O)O)O,0.19797792622406293
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.2510414928269972
+CC1CCC2CC1C2(C)C,0.16616963163241497
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.29676395298431557
+Fc1ccccc1,0.2714635053004676
+COc1ccc(cc1)CN(N=O)C,0.8247642223485084
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.31022418813129304
+C=CC(=O)NCCCN(C)C,0.2127258799040544
+Clc1ccc(cc1)CNC1CCCC1,0.1816313235869536
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.6048336765467524
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.43171590338795957
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.5194430179670073
+CCCCCCCCCCCC(=O)C,0.16395095594434042
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8132883424805619
+OCCOCC,0.2211533992354019
+Brc1cc(Br)c(c(c1)Br)O,0.14868785730817108
+Cc1nnc(c(=O)n1N)c1ccccc1,0.47479926372486947
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.7350019654804313
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.4422472591703797
+CC(C#N)O,0.2274845239156259
+OCc1ccnc2c1cccc2,0.49072678750986876
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.1786217159438667
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.3117082870371355
+CC1=CC(C)(C)Nc2c1cccc2,0.4179739170757135
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.16220028413305515
+c1ccc2c(c1)snc2,0.5432570694444674
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.13518831994671296
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.17836452194175675
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.4269157481882374
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.24724709058672933
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.6431191306247825
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.18197561139568097
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6360248932539662
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.2981298711782236
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.6158647945952451
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.7612904638369999
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.7843687386675028
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.7623235509565498
+S(Cc1ccccc1)SCc1ccccc1,0.25880029150309675
+Nc1ccccc1SCCSc1ccccc1N,0.6275086666110262
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.34660393563728153
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.604947553407381
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.6597238949471942
+C[C@H](CN)O,0.2150180725936985
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.7661698520307382
+C=CC(=C)Cl,0.516491916986847
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.5290507106632867
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.16161078092490228
+CC(C#N)C=C,0.22656690180896344
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.6462711481120632
+COc1ccc(cc1)C[C@@H]1OC1,0.8326706541961448
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.23528223939122073
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.5601675568175912
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.4380546700617727
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.795167829075815
+CCN=[N+](C)[O-],0.282232391499796
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.1353570916409334
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4380165438782282
+C=CC(=O)OCC(C)C,0.19591499921440728
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.1901245919555063
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.30004950619427906
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.7089176125633072
+CC(=O)C=C,0.3518492020365125
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.7208343624589718
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.6668646498201928
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9326751661179795
+ClCC(=C)Cl,0.3851354057481378
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.18887106010606833
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.8510076270419648
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.6484771995481626
+c1ccc(cc1)c1nc2c(o1)cccc2,0.42829406671806464
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5475550178920191
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.14831785555212498
+ClCc1cccnc1,0.18505403266928774
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.47733691876531686
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.8579750038869497
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.28892005320077346
+BrCC(=O)N(Cc1ccccc1)C,0.29095394747690567
+[O-][N+](=O)CCC(=O)O,0.18413453512496986
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.34820517239780413
+[O-][N+](=O)[CH-]C,0.24231696755955745
+O=Nc1n(C)cnc1c1ccccc1,0.691391639460614
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.2981727230035647
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.5842982176586257
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.3742797604609584
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.7767958460636444
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.23604588099320084
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.3087781384772491
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.3072708724716504
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9348790847250463
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.13818223946561597
+Nc1cccc2c1nc1c(N)cccc1n2,0.7416689374241409
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.5666584046499931
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.8925570388905032
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.15774651117797858
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.19402144071263072
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.8328754673844778
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.6315487881155027
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.7729162093347914
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.2372360507406047
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.23590445470268492
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.8791594024609953
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.1783565285183669
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.28841082239012494
+FCC(F)(F)F,0.20793372653858874
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.24875142029592562
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9280307169812476
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.8116105539346926
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.7859773459621718
+CNC(=O)Nc1ccc(cc1)C(C)C,0.16146250674808357
+[O-][N+](=O)c1ccc(c(c1)C)N,0.7757861037820485
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.6365094576428333
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.7698182409085647
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.4357904920642108
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.6858802993922649
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8503897098348426
+Oc1ccccc1c1nc2c(o1)cccc2,0.4574752702482591
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.4931071722548312
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.731441534163704
+[O-][N+](=O)c1cnc(s1)N,0.8236847253405944
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.8397758774823406
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.18858278412651164
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.2581990680403378
+c1cnc2c(c1)C1OC1C=C2,0.29073059100579696
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.4186235732808291
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.5435965529311446
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.6997540732398022
+Cc1cnc2c(c1)cccc2,0.5707359570763603
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.19523774440423838
+CCOC(=O)C(=C)C#N,0.22938764773352743
+O=S1(=O)CCCO1,0.6367626604195499
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.2537454936501964
+CC12OC1C1CCCCC1c1c2cccc1,0.16554256521868185
+CCCCOCCOCCOCCCC,0.19258419194060683
+COC(=O)c1oc(c(c1Cl)Cl)N,0.3150658923637253
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.16000570365727765
+OCC([N+](=O)[O-])(CO)Br,0.3512392821445376
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,0.7421781408726583
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.6628484244986971
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.15201006089610652
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.6761734259478419
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.6720713917138914
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.3710717441999166
+CCOc1ccccc1N,0.6448493807753779
+NC(=N)NC#N,0.28496770099264473
+CC1(OC1)c1ccccc1,0.46834216045656724
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.829998521199682
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.5751908601199504
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.7832362170814643
+Cc1ccc2c(c1)ccc(=O)o2,0.511854367518083
+O=c1n(CC2CO2)sc2c1cccc2,0.741394805241994
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0.4041819404100791
+[O-][N+](=O)[C@@H](CO)C,0.36310520162171056
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.6795627700092022
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.6793504712616896
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.174647829410129
+COP(=O)(OC=C(Cl)Cl)OC,0.34023043484050386
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.839195361684093
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.14674905825374443
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.5710752917721409
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.375447733543679
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.3786043031133009
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.19369520279007732
+BrC/C=C\CBr,0.2761060491736097
+C[C@H](C(=O)NCc1ccccc1)Br,0.7244838775779653
+CCCCCCOC(=O)C=C,0.13912951022783243
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.15044289662933016
+CN(N=O)C[C@H](O)C,0.8149540443240892
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.14615286020551646
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5510597995439422
+ClCC=CCCl,0.46586829533419943
+ClCC(C(Br)(C)C)Br,0.5952065849270332
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.666714320862225
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.7535511447040717
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.1822645777100526
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.40312240458133425
+C[N+]1=CC=C(CC1)c1ccccc1,0.3310108579870093
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.4246190438940408
+CC([N+](=O)[O-])(Cl)Cl,0.3483868582957685
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.43963568734304737
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.6983841308561679
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.8310199298643772
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.3958704388196576
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.6070688637267753
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7763581841008866
+c1ccc2c(c1)ccc1c2cccn1,0.7669529271269145
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.4797115876527547
+Nc1ccc(c(c1)O)C,0.6454501656874829
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.8542746791711888
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8018104785934865
+Nc1cccc2c1-c1ccccc1C2,0.7275725058721367
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.7902972855288097
+Clc1ncccc1Cl,0.18437775550131097
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.3311977177367891
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.724769306454362
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.6436765620693652
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.7992826659654642
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.7100109360923652
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8265178983687227
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.6009733798627572
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.8056368359264199
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.7312818511522898
+CCCCCCCCC=C,0.16447992575866907
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.3006488368013559
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.8142158557217968
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7487768267091152
+COc1cc(N)ccc1N,0.7278916488755713
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.3980245426342143
+CC(=C)C#N,0.2279010455563232
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.17802425209172684
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9053451845053015
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8000081418806123
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.7992681754940215
+CNC(=O)CSP(=O)(OC)OC,0.3241609972732345
+CC[C@@H](CN)O,0.20046124675350588
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.6432711786636109
+COc1ccc2c(c1)C1CCCCC1C=C2,0.2880595874494192
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8611265360959747
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.20353052084521198
+CC(N=C=NC(C)C)C,0.23416854827675807
+c1ccc2c(c1)Sc1c(O2)cccc1,0.2917417445402332
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.641341239799612
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,0.546337047808172
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.8412425934395992
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.855965955938186
+Oc1cccc(c1)O,0.2658471590214656
+Clc1ccc(c(c1)Cl)Cl,0.1786206963046056
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.33857570260073416
+O=Cc1cccc(c1)[N+](=O)[O-],0.7764636460041736
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.7011238212683304
+O=C([C@]1(C)OC1)Nc1ccccc1,0.48524755232499517
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.5451009917021143
+C[C@H](C=O)CC,0.21266868977298467
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.16649316814135817
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.40154729503778963
+Brc1ccc(cc1)c1ccccc1,0.5148810812320902
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.14028235526326532
+Fc1cccc2c1c1cccnc1cc2,0.7031792018048006
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7718704742110211
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.16688411204687192
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.19746852707656642
+ClCCNCCCl,0.7059961617093964
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.7998929281315175
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.2949444872923698
+Cc1cccc2c1ccc1c2cccc1,0.7879291249803695
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.17678500956517398
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.40921650335814735
+CCOP(=S)(OCC(C)C)SCCl,0.20946158442983795
+OC(=O)c1ccc(cc1)Cl,0.18489289915037965
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.7266773812380521
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.5543437867863907
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.7691598283568738
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.8711192750217852
+COc1cc(ccc1O)CC1CO1,0.75698562134752
+CS(=O)(=O)C,0.2315623732285908
+Oc1ccnc2c1cccc2,0.5643257793173008
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.5336105439795548
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.8715437470395899
+Cc1ccc2c(c1)cccc2C,0.7353506610028874
+Oc1ccc(cc1O)C(C)(C)C,0.14221826607992674
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.215325925406011
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.16861074613466467
+COc1nsc2c1ccc(c2)N,0.7195034266227243
+COc1cc(ccc1N)[N+](=O)[O-],0.794173002133649
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.8496617800883873
+CC/N=[N+](/CC)\[O-],0.268157377258207
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.7689173010283955
+CCOC(=O)c1ccccc1C(=O)OCC,0.18195955697274327
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.7768511449719631
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.7511211653042961
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.2984071289260158
+CC(OC[C@@H]1OC1)C,0.8168907745973035
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.11365565934945428
+[O-][n+]1c2ccccc2nc2c1cccc2,0.6869256921022516
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.5191213769980878
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.6326372065230885
+CCNS(=O)(=O)c1ccc(cc1)C,0.24205442055563314
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.7676203644724596
+CO[P@](=O)(NC(=O)C)SC,0.2943971953980512
+CN[C@@H]([C@H](c1ccccc1)O)C,0.22724901724222477
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.7957213717221883
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.14970932917226001
+Cc1ccccc1N.Cl,0.6393753576701312
+[O-][N+](=O)c1nccn1C,0.7289680609987828
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.18777142508741018
+BrCCSCC(C(=O)OC)NC(=O)C,0.6610716247254629
+CC(=O)/C=C/c1ccccc1,0.28218252882619993
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.7372404441200906
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.15028901535415262
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.21520750887417084
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.534862175292405
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.2642984114626831
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.18299731038366818
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8629141353669273
+CC(=C)C(=O)OC[C@H]1CO1,0.7133304656625965
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.7376091811708149
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.635275200204112
+ClC[C@](CBr)(Br)C,0.6759647243270613
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.868518719031998
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.18843927667078045
+O=C(C(C)C)Nc1snc2c1cccc2,0.4827398210785784
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.3806073433366056
+CCCC(=O)Nc1snc2c1cccc2,0.37793565472891044
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.21988466464514808
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.868518719031998
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.36916565262877427
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.16673025432402372
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.813496420093809
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.31808855944737724
+COC(=O)C(=C)Cl,0.6875416649168345
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.6373013641254365
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.1361083745411029
+C=C,0.23336240739776953
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.17688971114698293
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.7672440808524674
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.36919473630078686
+ONc1ccc(c(c1)Cl)Cl,0.5159871158590378
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.7744692973112697
+Nc1ccc2c(c1)s[nH]c2=O,0.7010060246190255
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.3788780294281021
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.6005017378366466
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6064637754073623
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.8284108506240484
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.7155649205266554
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.7242911913175376
+OCCN(CCO)CCO,0.22845421071700872
+O=NN(c1ccncc1)C,0.5940391835827667
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.14356480835734695
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.2360024729090123
+CC(c1cc(ccc1N)c1ccccc1)C,0.7095808769256665
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.8254748409290131
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8260112253558921
+Cc1cc(nc(n1)O)C1CC1,0.20068151295686648
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.4586869877987916
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.2875205957500717
+C=CC#N,0.21936205059409594
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.1629421825677277
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.8198571456905488
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.7820016284344034
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.8679534485712016
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.23175540971069405
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.3779215601917454
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.19534057337614114
+CCC12OC2O1,0.21175326886092097
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.4288933788693382
+C1COC1=O,0.2120229567761269
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.14739936669101625
+OC(=O)O.N.N,0.2232726387365591
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.8769777159050244
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.7803262690753447
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.38379322744134853
+Cc1nc(N)nc(n1)N,0.1684566063188662
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.3076470684978137
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.43154736974277974
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8717797965059002
+CN(c1[nH]cnc2-c1ncn2)C,0.4483659691110876
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.617131925003467
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.42654667842433613
+O=c1oc2cccc3c2c2c1cccc2cc3,0.7025402017129635
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.39707952072852426
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.9157993045004017
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.8594717918628391
+NNc1nncc2c1cccc2,0.7313917225308748
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.7826479121638714
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.82367845398941
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.7978399032869876
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,0.2623171061446883
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.1338946360063565
+NC(=N)c1ccccc1,0.26412283514655044
+c1cc2cccc3c2c(c1)CC3,0.7102325969658664
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.12484069876620926
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.7999003686478917
+c1ncc[nH]1,0.21801403731548533
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.15180279525340912
+Clc1cc(Cl)c(c(c1)Cl)O,0.17494153545202468
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.8153631802402357
+OCCN(c1ccc(cc1)C)CCO,0.4630414502063181
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.8336554582689769
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.8574049002138877
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7923232869251231
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.20155413842944608
+[O-][N+](=O)C1CCCC1,0.2317135106448772
+OCc1ccc(cc1[N+](=O)[O-])N,0.7757211155222338
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.5250054678444334
+S1CCSCC1,0.2560291690889652
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.17161877651204518
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.22551055246361254
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.22513625666844403
+CC(C[C@H](O)C)C,0.1933501418825993
+[O-][N+](=O)c1ccccc1C(=O)O,0.6897266813613171
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.21677660530464357
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.544766233295407
+ClC/C=C\Cl,0.6379774884932741
+OC(C1CO1)CO,0.7023265414646416
+Nc1ccc(c(c1)N)O,0.7038479786759306
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.2782800216993584
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.6587962363779427
+O=C1C=CC(=O)c2c1cccc2,0.4821187421980095
+c1ccc[nH]1,0.18947781210481657
+Oc1cccc(c1)Cl,0.2062052313906951
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.4381986933323377
+NC(=O)CI,0.24604326683995376
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.3799583783881765
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.34136769285472407
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.2836516678208129
+CNC(=O)Nc1ccccc1,0.1845979186038816
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.6125192422574912
+N#Cc1ccccc1[N+](=O)[O-],0.7495303114561965
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.5415229209441094
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.5808962781736784
+Cc1ccc(c(c1)N)O,0.47613313339588365
+NCC(=O)Nc1ccccc1.Cl,0.31210174119262435
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.582687930385762
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.6529840888153898
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.7124846100750716
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.8054544284122886
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.188831901192084
+OC1CC[N+](CC1)(C)C.[Cl-],0.2107246074128125
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.14678371076019214
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.621413301350651
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.7969361932796306
+OCCC#N,0.21894970358355356
+Cc1cccc(c1)[N+](=O)[O-],0.7675444091683413
+Cc1cccc(c1)O,0.23123225206031847
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7510195974641384
+CCCCCC[C@@H]1OC1,0.36372345024902
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.7929274802787739
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.14303465364272963
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.5471279084420605
+Nc1cc2ccccc2cc1N,0.6921072670256703
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.1912393406512638
+O=C(C1OC1)NCc1ccccc1,0.6873019289240458
+CCCCCN(N=O)CCCCC,0.7273204529890822
+Cc1nc2c(nc1C)ccc(c2C)N,0.7205710038979393
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.3885162911802989
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.14426797175545525
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8305185310076698
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.1782324912090717
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.7010817547227348
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.34120987024754423
+Oc1ccc(cc1)c1ccc(cc1C)N,0.7158765143269477
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.19731018249860172
+Cc1cc(C)nc(n1)Nc1ccccc1,0.39438851277503956
+O[C@@H]1COC(=C(C1=O)O)C,0.363481461413288
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.6468026823205284
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.20932929130153674
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.21707284995594628
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.7469219196709332
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.7489661663220861
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.5992264051717785
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.30782234240230805
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.24399873412740003
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.7843699295237062
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.25693603844197965
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.4377637313493081
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7802436983937681
+COP(=S)(OC)OC,0.2407535843596644
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.1887012612262558
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.7936401216472696
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.8248637707090325
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.9061226770445405
+CC(=C)C1CO1,0.5248335232909811
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.15550297808924812
+OC(=O)CCCCC1SCC2C1NC(=O)N2,0.14524026537972443
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.2231201786324124
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.31069925193590897
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.3007805953570737
+COC1=C(OC)C(=O)C(=CC1=O)C,0.22820514619215657
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.7677956739379609
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6517928258106801
+C=Cc1ccc(cc1)C,0.2290370616048586
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.7379199670228556
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.865780272215976
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.15728487126746252
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.1782324912090717
+CSc1ccc(cc1)Cl,0.19607339979548913
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.3247157508459741
+C/N=N/O.[K+],0.6746259903414911
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.1955714200357984
+O=C(n1cncc1)n1cncc1,0.21372157842884776
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.14029277670881826
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.3076113190186853
+Cc1ccc(cc1)Cc1ccccc1,0.3231957080804546
+Cc1ncc2c(n1)CCC2,0.2207681744053053
+CC(=O)OCN(N=O)CCCl,0.822543685379233
+O=Nc1nccn1C,0.5122620400508127
+OC[C@@H]1SCCN1N=O,0.7884826165109918
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.7339092325863075
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.09601383593372007
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.7630844383222948
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.3439889493560826
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.7147477528172768
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.24248667552259365
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.28456716537535315
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.5996620702676366
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.2526094946108599
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.4402092024804089
+O=C1C=C(O)c2c(C1=O)cccc2,0.5313681975632049
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.22133679473546022
+O=C(c1ccccc1N)OC1CCCCC1,0.33191154515758864
+O=Cc1c2ccccc2cc2c1cccc2,0.716406898151446
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.2914909923237257
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6973016852342654
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.6506233215505458
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.6676582182629724
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.5502627402300183
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.8343852677213962
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.3636564651554076
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.7888342070665617
+Nc1cccc2-c3c(Cc12)cccc3,0.7351899882726789
+Cc1cc2-c3ccccc3Cc2cc1C,0.7121870989814789
+CCOC(=O)CNC(=O)C(Br)(C)C,0.21829946275254186
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5752968893409981
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.5094456865027273
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.56072798729611
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.6434557553035366
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.7127670395109135
+COc1cc(N)ccc1C,0.656899790099922
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.20115463255703492
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.16637417402691423
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.21578448248973514
+CN(c1nc(C)c(c(n1)O)C)C,0.2560439604541305
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.5708025586630915
+N#C/C=C\C#N,0.21936205059409594
+c1scc(n1)c1nc2c([nH]1)cccc2,0.466783020161858
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6745302474821829
+CC(CCON=O)C,0.43513223669720824
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.1818910811176076
+CCCC(=C)C=O,0.4040954863203134
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.7791384046907521
+OC1=C(C)CCC1=O,0.24825950247003664
+C/C=C/CC#N,0.2231251583744191
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.698811759072948
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6908792144950227
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.27614285715585557
+CCC(=C)C=O,0.4648547208889226
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.19327712230210112
+Nc1cccc2c1snc2Cl,0.6639313385917459
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.28155236452637533
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.626695922190204
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.16681964625396026
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.1268883873251249
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,0.3673468419633968
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.35163552501341394
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.15667575899706682
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.21744382457894237
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.6033030228012742
+CC1=CC(=O)CC(C1)(C)C,0.18895807165252354
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.8416563499846139
+N#Cc1ccccc1,0.25495242558959086
+C=CC(=O)OCCCCCCOC(=O)C=C,0.12853494956607064
+NCCNC(=O)c1ccc(cn1)Cl,0.27589602945962977
+O=C1c2ccccc2Cc2c1cccc2,0.48917174017260295
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.11479727362360392
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8156428315285934
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.4452735776442062
+O=Nc1c(CC)cccc1CC,0.536501392658331
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.567944996441434
+Nc1ccc(cc1)F,0.6421651758518456
+CC(=O)Nc1cccc(c1)N,0.6434867919249766
+OCCCCCCC/C=C/C=C/C,0.24794799706640575
+O=Nc1cccc(c1)c1ccccc1,0.7463159171970833
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.5100490836350434
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.897932471841341
+NCCNCCNCCNCCNCCN,0.2642124327766996
+COP(=O)(N1CCOCC1)OC,0.23539741653142227
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.15519853560845606
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.2042054849089154
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.8247803997263334
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8715723502815705
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.5750927806658555
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.1872756392291951
+C/C=C\c1cc(OC)c(cc1OC)OC,0.3434771829045215
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.32109204682047315
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.5675890168621421
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.56072798729611
+Nc1ccc(cc1)N.Cl.Cl,0.6440085457058206
+CCCCCCCCCCO,0.16277503403174873
+CC(=O)/C=C\c1ccccc1,0.27859188534213813
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.19943844670054114
+CCSCCSP(=S)(OC)OC,0.2606904719216125
+C=CS(=O)(=O)C,0.22350168242014826
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.8134085824950085
+ONc1c(C)cccc1C,0.7294906617918949
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.1999866448093755
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.15268972847676193
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.6156425507273202
+ClCCN(c1cnc(nc1O)O)CCCl,0.5091660022899831
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.8066861594606035
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.27143036959021916
+CNC(=O)ON,0.311506564005921
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.6866823599348701
+CC(CC1NC(=O)CNC1=O)C,0.1919662848879487
+Oc1ccc2c(c1)cccc2O,0.5723705691927385
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.24897965111013345
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.5014175122192671
+CCNc1nc(NCC)nc(n1)Cl,0.2100292399795292
+S=C(Nc1ccccc1)Nc1ccccc1,0.27394819465007025
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.18501934566724906
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.21391418534158735
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.6335737999172814
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.8713536367681448
+O=Nc1c(O)ccc2c1cccc2,0.6636076084940488
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.7277413264985308
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.3308660514123533
+OC(=O)O,0.2232726387365591
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.3110913143009532
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.17238033037695244
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.7801601973339812
+NC[C@H](N)C,0.20085986149423887
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.18785635874703305
+OCCc1ccccc1,0.26160857632686735
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.4577297162552741
+O=c1[nH][nH]c(=O)c2c1cccc2,0.43424880123738396
+CCNCC,0.22112663933731927
+OCc1ccc(cc1)O,0.2030075524733869
+Clc1cccc2c1cc1ccccc1c2,0.5634697353355559
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.4538053308785728
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.18902499060535485
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.7495406263822185
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6758655007180029
+Cc1ccc(cc1NCC)O,0.4155334931340338
+BrCC(c1ccccc1)Br,0.5950643691934199
+c1ccc2c(c1)[nH]nn2,0.34427741957345187
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.20019413844883377
+[O-][N+](=O)CC,0.4065675417972527
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.3035789227747591
+N[C@H](C(=O)NCC(=O)O)CS,0.31339597932943497
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.77448897386376
+Nc1ccc(cc1)Br,0.5847788725742933
+ONc1ncnc2c1ncn2C,0.8026234987098047
+NC(C(=O)O)CS/C=C/Cl,0.34046112126864825
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.2156296808370353
+CNP(=O)(N(C)C)N(C)C,0.22350168242014826
+[O-][N+](=O)NC(=N)NC,0.3443429989860307
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.1885291260158604
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.8252029642461356
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.2937651713543737
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.2780726737850853
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.7184995267543587
+CCc1ccc(nc1)C,0.178929885422451
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.255241854060412
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.19283171606136892
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.29550131375629185
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.18948060434569933
+Cc1cncc(n1)C,0.19675800289994988
+O=CN(c1cccc(c1)Cl)O,0.26793773861862175
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.5187539926224265
+CCOC(C(=O)C(O)O)C,0.33294679435754554
+Cc1ccc(c2c1cccc2)C,0.6730406824718945
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.6576766517085848
+c1ccc(cc1)/C=C/c1ccccc1,0.3558174405733957
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.8733700387382681
+Cc1ccc(cc1)Br,0.14457911494074394
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],0.22229264936546647
+Nc1ccc2c(c1)cccc2,0.7412883365254802
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.1882872489689585
+CC1(OC1)c1ccc(cc1)Cl,0.27213695764976864
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.7782586905179075
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.8260112253558921
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.35072178397132076
+ClC[C@H](O[C@@H](CCl)C)C,0.5058105389210836
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.19271446503640524
+CC(CCOC(=O)CC(C)C)C,0.16458164968832556
+c1cnc2c(c1)CCC1C2O1,0.2532090429879379
+ClCC=C,0.42686744879702376
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.8073719842965318
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.141899575085138
+ClC(=C)C#N,0.21936205059409594
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.14644256200771685
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.24196800404001859
+CC(=C)C(Cl)C,0.23378693960851896
+Oc1nc2c(o1)cccc2,0.3571501494246197
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.6145781477094813
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.431466450095966
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.38927998247246487
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.4951737653373259
+[O-][N+](=O)c1ccccc1C,0.7371335265299689
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.7770695735185812
+NCCCNCCCCN(N(N=O)O)CCCN,0.3653749594833398
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.25391994583809224
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.764377020980472
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.7747585759582166
+OC(=O)CCCC[C@H]1SSCC1,0.14299419471342825
+NS(=O)(=O)c1ncn[nH]1,0.185546042520397
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.2856072027650446
+CCOCC=O,0.24661788891028177
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.16539833329082942
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.3142703402068207
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.1282109379348188
+C[C@H](C(=O)NCC(=O)O)S,0.21938931694826777
+COc1nncc2c1nccc2,0.4561076926410023
+O1CCOCCOCCOCCOCCOCC1,0.22597476328064534
+COC(=O)C(CSCCCl)N,0.6557654775973518
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.17848531490878278
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.7852784221462871
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.1653996530028584
+CCCCCCCCCCCCCCCCCCCC,0.16027757271936982
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.7435135815722609
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.7669101288018735
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7769025816564019
+ONc1[nH]cnc2-c1ncn2,0.8119216343910002
+CNP(=S)(N1CC1)N1CC1,0.22350168242014826
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.3798407467694839
+Nc1scc(n1)c1ccccc1,0.5295413234230439
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,0.7007734763931274
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.8146104789887116
+CN.Cl,0.22605138928698087
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0.11685712328273544
+OCCI,0.23823042173461761
+CCNc1snc2c1cccc2,0.3641079910944929
+CCCCCCCCCCCCCC=C,0.16093525630941666
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.38116313221107423
+COc1ccc(cc1)C=O,0.24387902031188685
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8227569247534631
+N#Cc1cccc(c1)[N+](=O)[O-],0.7816535200655789
+CC/C=C\C#N,0.2632427238673164
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.6979250275863796
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.1296832033254391
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.8030900803261528
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.8366943849887541
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.6319674876367087
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.7841180849400222
+CCc1ccnc2c1cccc2,0.508042697111642
+OC/C=C/c1ccccc1,0.3497452106707349
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.22477285347420287
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7487815351502519
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.3542253846839446
+O=Nc1ccc(cc1)O,0.680797303439539
+O=CC(=O)C,0.46764681567130095
+Clc1ccccc1S(=O)(=O)N,0.18493769875313074
+O=NN(Cc1cccc(c1)C)C,0.7438056624231477
+CSCCC=O,0.2596560901513109
+COCC=O,0.25261168178489624
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.908419034752451
+Clc1nncc2c1cccc2,0.4834585992822391
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.6554251054125315
+OCCNc1ccc(c(c1)O)C,0.5431748683480959
+CC(c1ccccc1)C,0.2475121411771836
+BrCC(=O)Nc1ccc(cc1)C,0.29973397451435435
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.8601317008868848
+O=Cc1ccc(o1)[N+](=O)[O-],0.9394922300605582
+ONc1ncnc2c1ncn2Cc1ccccc1,0.7770691783285818
+C1CCC2(CC1)CO2,0.19981884229678026
+Fc1ccc2c(c1F)nccc2,0.5747020708812317
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.3860676609869397
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.573403694133541
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.2155925023671035
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.20110958454902136
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6086762734162156
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.7472755019775983
+O=C1c2ccccc2C(=O)c2c1cccc2,0.6416204518763575
+CCCCOC(=O)c1ccccc1N,0.2891565654971291
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.17842615883086635
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.7167908904980619
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,0.1665519617930774
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.42159490757426366
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.6580599436923901
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.24281763621848473
+OCCCCl,0.5021552627221267
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.21631875726215716
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5151968463077485
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,0.1764561916637904
+Oc1ccc(c(c1Cl)Cl)Cl,0.1674725835475832
+COc1cc(C=O)c(cc1OC)OC,0.2975672893549815
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.1528069209870503
+ClC(=O)c1ccccc1F,0.7402798715640703
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.7909163813701912
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.7707671599028804
+BrCC(=O)c1ccc(cc1)Br,0.18289255471683924
+CNc1ccc2c(c1C)ncc(n2)C,0.7194344096533181
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.2793361586627086
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.7589011588833663
+COc1nsc2c1cccc2OCC1CO1,0.8042455703145251
+ONS(=O)(=O)c1cccc2c1nccc2,0.4657854825734534
+Clc1cccc(n1)Cl,0.27735918374251395
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.7722532592010514
+CSCCC(C(=O)O)N,0.2321018878197401
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.33908322132055274
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.8615595593370466
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.7697159507242859
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7528263803603877
+C[C@H]1CCOS(=O)(=O)O1,0.5807579998439654
+C[C@H]([C@@H](CCl)Br)Br,0.6812351047853618
+OC1CC(C)(C)N(C(C1)(C)C)O,0.21414009312644688
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.6527520462305226
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.7302903886347292
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.6392433964793188
+CNC(=O)Oc1ccccc1,0.3107647859524014
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.8648168874638815
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.17970671822875656
+OC[C@@H](CI)O,0.22024054809682836
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.767790419249761
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.7832599656727611
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.6391383758781457
+Cc1cnccn1,0.1805327029661074
+O=C(C(Br)(C)C)Nc1ccccc1,0.28061233634033633
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.34046638865390355
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.6537150039441257
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.4979295499269893
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.5874605400218834
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.8076259007414156
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.7763101505364555
+Nc1ccc(cc1)Cl.Cl,0.4894428699636304
+O=Nc1ccc(cc1)Sc1ccccc1,0.7301458222795199
+CC1(C)C2CCC3(C1C2)CO3,0.14199944582510307
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.624315519579327
+CC(C=O)CC,0.20884532037135786
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.14249670860740038
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.21949989889219657
+O=c1oc2c([nH]1)cccc2,0.3579870640251708
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.7688356427121759
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7418886094359494
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.715784390977199
+Clc1cccc(c1)C(F)(F)F,0.1565995887110925
+[Cu].[Cu].O,0.22128155898125088
+Nc1nc2c(n1C)ccc1c2nccc1,0.7729231511625804
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.6552301454073137
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.8191458231778657
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.8699311013446607
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.34097599005765494
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.17434429229986464
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.7393735961822926
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.6876242233981158
+C/C=N/N(C=O)C,0.3604974953832192
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.718929999460486
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.17242198395477637
+Cc1ccccc1S(=O)(=O)N,0.23857250942991395
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.3312629751779403
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8051433536123063
+Nc1ccc(cc1)Oc1ccccc1,0.6460603106256919
+CC(=O)OCC=C,0.287273818642242
+CCCC[C@H](COC(=O)C=C)CC,0.1525134405715037
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.18703000278283982
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.36372345024902
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.1535456708460741
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.3287256742908216
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.4951737653373259
+COC(=O)c1ccco1,0.25309451066797534
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8179607025441087
+Clc1c2ccccc2cc2c1cccc2,0.6058129462591979
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.4015730120819822
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.5241387831120323
+Nc1n[nH]cn1,0.2837981735605802
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.6721410327079136
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.2400942695891142
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.7271097096836036
+CNC(=O)N(c1ccccc1)c1ccccc1,0.2567197388145984
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.6599992215061717
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.692588099066107
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.7518480491394672
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,0.196756049660319
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.8382221023176307
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.15030675534447038
+Nc1cccc2c1nc1cccc(c1n2)N,0.7261282221347368
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.46158075903127693
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7974466595448838
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.12512999418934137
+O=NN(c1ccccn1)C,0.5199786380155507
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.7272922254725646
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.18941482053231423
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.16669974696297352
+C/C=C(/C=O)\Cl,0.72843408996172
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.7831918500120693
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.45773977465918864
+OCCCN=N,0.3111423550061465
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.6392866041631579
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.1815569848362185
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.5594635899866761
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.5006177236884326
+c1ccc2c(c1)[nH]cc2,0.5923646407859521
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.5590494833303918
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.4932412624348557
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.24026236858511346
+COP(=O)(OC)OC,0.23079937677992918
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.8174225776073596
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.6364245079821872
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.6498916315213091
+Clc1cccc(c1)[N+](=O)[O-],0.6458525290683279
+O=C(Nc1ccccc1C)CC(=O)C,0.23016844097293243
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6902006084960061
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.5147435057711144
+N#C/C(=C\c1ccco1)/C(=O)OC,0.3033112733182095
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.8008339409853856
+Clc1nnc(c2c1cccc2)Cl,0.4434624769732247
+CCOc1ccc(cc1N)NC(=O)C,0.545951605237925
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.8144553788556165
+NCCN,0.2566951335215809
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.2294573849254648
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.20850205578309564
+CCCCCc1cc(O)cc(c1)O,0.17764313006975135
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.6645657797950112
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.6856769757541922
+NC(=O)CN1C[C@@H](CC1=O)O,0.24902957645169468
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.2594918977900328
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.14289908195179865
+c1cnc2c(c1)ccc1c2cccn1,0.6715273427473776
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.24773387547332265
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.1377001643373427
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.6349174153504257
+O=NN(C(=O)O/N=C(\SC)/C)C,0.927812619153309
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.6069174291036007
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.38320032786963854
+CCNc1cccc(c1)O,0.5186275638155031
+ClC[C@H]1CO1,0.7620785558175993
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.782122078170817
+O=NN1CCC=CC1,0.795389903959358
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.7996582217563306
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.24801985815406644
+CCc1ccc(cc1)C,0.23009551160651917
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.7181035544855788
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.5743629940947392
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.5496910411122672
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.7000324667656795
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.36725760909336647
+ClCC(CCl)(CCl)CCl,0.4847546457272875
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.7561284384375004
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.32458993550095383
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.19337552815727324
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.8486995348764602
+CCCCCCCCCCCCC=C,0.16093525630941666
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.7919942861705435
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.292894939401486
+CCCON=O,0.497182339372483
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8053021323110123
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.8093776196566453
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.634996947889194
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.614221248125065
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.22932171143467692
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.6974552788504166
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.4428419771746245
+N[C@H](C(=O)O)CSCCCl,0.5603754354276923
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.12808059337040734
+SCCc1cnccn1,0.17772918022186257
+NCCCCCCN,0.1644185095615582
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.2161338058739295
+CC(=O)N,0.29013960586290455
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.16471122277734107
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.8517829076415131
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8159878670281444
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.9163774268116819
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.6366748409800823
+CN(c1ccc(cc1)N)C,0.6571134702841327
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7382070636805558
+CCCCCCCCCCCCCO,0.16277503403174873
+OCc1ccc(cc1)OC,0.25806546574058914
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.6443499020159904
+COc1ccc(c(c1)C)N,0.6442407983692764
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.5190655308457119
+BrCC(Br)(Br)Br,0.6223737929420586
+Nc1cccc(c1)C(F)(F)F,0.42085392302714564
+NC(C(=O)O)CN=N#N,0.7435206799503418
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.6468129807065903
+NC(=O)c1ccccc1C(=O)N,0.2532477039100204
+O=NN(c1cccnc1)C,0.5876154846771484
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.8657200621648938
+O[C@H]1C=CC=C[C@@H]1O,0.3073461713025029
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.16206315402355026
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.4144001009607598
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.6019452564475211
+CC(=[N+]([O-])[O-])C,0.2584306170748965
+Nc1ccc2c(c1)c(Cl)ns2,0.6975135763453816
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.3059456468102027
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.7971244412731164
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.14338181985868717
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.7653409749487124
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.6310951372892317
+BrCCC(Br)Br,0.6733202753052614
+NCCNc1cccc2c1cccc2,0.7253779511420027
+CCCCOC(=O)CCC,0.15246985775316255
+Cc1ccc2c(c1)cccn2,0.6131798003108724
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.690271537138553
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.19328697564820516
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.7439052319341608
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.6608942736113712
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.5776494723719424
+Oc1cccc2c1OC(C2)(C)C,0.2374605459211459
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.7196776635810443
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.5865461120406507
+COc1cc(/C=C/C(=O)O)ccc1O,0.21579153709687576
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.13277366436301247
+Nc1[nH]ccc2-c1c1ccccc1n2,0.707281621273823
+ClCl,0.22350168242014826
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.17088654450010196
+Sc1ncc(c(n1)O)C,0.21336450565025877
+CCOC(=O)CC(O)C,0.20143127522477947
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.47449162323228017
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.5414693522482097
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8566825766085618
+NCC(C)C,0.20685314283103232
+C=C[C@H]1CCC=CC1,0.19576404243249076
+[O-][n+]1cccc2c1C=CC1C2O1,0.36193480717723014
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.7956090684202316
+CCN(c1cccc(c1)O)CC,0.4774106901556152
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.7529335650491238
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.783957676801046
+CCOP(=O)(N(C)C)C#N,0.21791125312026913
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.25446952697891045
+C/C(=C/C)/C#N,0.2242952290633918
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.49085546127673935
+CCCCC/C=C\C=C/C=O,0.3733358421675937
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.14367538535283936
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.22473391117682381
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6664350179219881
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.2858921357276544
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.665451567971804
+OCCn1c(C)ncc1[N+](=O)[O-],0.832386074580879
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.8265111586343202
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.7095162814072518
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.18052470600133028
+OCc1ccc(cc1)[N+](=O)[O-],0.7811409469936496
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.5361144200882718
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7892836314563839
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.14975671992548367
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.830632323470026
+CN=C=S,0.26309936832717346
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.788373940433932
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.6903359328656095
+CCC(C)C,0.16501544682174576
+NNc1ccccc1.Cl,0.49150352647638934
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.8856738513714348
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.786161315328669
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9029528082303124
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9394326358514876
+O1C2C1C1N=NC2C2C1O2,0.24948754792148703
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.7103403042095485
+CCOC(=O)C(CS)N,0.27589075332302493
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8305830736861883
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.8486646860700565
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.7184395157516563
+O1CCN(CC1)SSN1CCOCC1,0.22367010391552564
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.8530825250581342
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.2974746069923286
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.15875980949246035
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.20176823808406236
+CCOC(=O)CNC(=O)C(Br)C,0.6496274081758258
+CNc1ccc2c(c1N)nc(cn2)C,0.667276688907572
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.4688431791477926
+C[C@H](CCl)O,0.44921673856783056
+C[n+]1c2ccccc2cc2c1cccc2N,0.8069493653043212
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.26745280767228946
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.7081396097671308
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.847610349085768
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.7670236043098398
+OCC(Cc1ccccc1)CN=N#N,0.8491222400069057
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7235639492221714
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.6580653343943851
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.5712666476860431
+S=P(N1CC1)(N1CC1)N1CC1,0.22350168242014826
+Nc1nc(nc(n1)O)NC(C)(C)C,0.13789553903978377
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.5465302974817047
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.13247473658525175
+OCCN(CC(=O)O)N=O,0.6223656876630725
+CCCBr,0.5763670885933843
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.7965955361389727
+NNc1nncc2c1ccnc2,0.5886598337841293
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.11860762824959621
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.1848544063403897
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.3822890817674934
+COC(=O)c1ccccc1,0.17755004711095398
+COC(=O)CC(=O)C,0.21302949662395207
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7744258377554514
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.27500996212044526
+Br[C@H](CBr)COC(=O)C=C,0.6896867500340295
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.7532288841755379
+Fc1cccc(n1)F,0.29639092414135476
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.7849915608806314
+CCCCN(CCCC)N,0.21079555339093622
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.15898746241271022
+CC(c1ccc(nc1)C(F)(F)F)O,0.1415373144346943
+C=CC(=O)OC[C@H]1CO1,0.7683727213963619
+Nc1ccc2c(n1)n1ccccc1n2,0.6577221891925429
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.9131140563173556
+ONc1ccc(c(c1)C)C,0.8560599930894489
+BrC(=C)C(=O)C,0.34625107893315543
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.20805594962654156
+Nc1ccccc1C(F)(F)F,0.43536245520411443
+NNc1ccc(cc1)[N+](=O)[O-],0.8028246323327087
+CNCCO,0.23704062061418413
+NCCCCC(C(=O)O)N,0.19843467437474221
+C=CC(=C)C,0.2496219714982117
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8193277107016761
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.784763743196013
+O=c1ccc2c(o1)c1ccoc1cc2,0.41501763263474206
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7857263776207161
+NCCc1cc(O)c(cc1O)O,0.2793604995092677
+Nc1ccc(c(c1)Cl)Cl,0.47123199074422695
+OC(=O)CCC(=O)O,0.1496598514395001
+Cc1cccc(c1)N.Cl,0.6464373340044067
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.8179699542889198
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.37280240781040735
+CC([N+](=O)[O-])C,0.3052804302500713
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.1524836083509101
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.6978173206507582
+NN(c1ccccc1)c1ccccc1,0.45733642970669236
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.18793813110578805
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.1656764519067976
+OS(=O)(=O)c1cccc2c1nccc2,0.4993518823535706
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.5660798290911133
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7844092861157823
+CC(COC(=O)c1ccccc1N)C,0.3531547217177792
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.19759353492143605
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.1355740036068193
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.1503543219543101
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.5999288194991169
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.7882743995974248
+CN(C(=O)NC)N=O,0.9289562035085456
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.22299058328224478
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.7743622395400513
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.7373006798361166
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.8645314059066846
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.8556313361034047
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7977673989017965
+CON,0.22350168242014826
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.6338798172309252
+Oc1ccccc1c1ccccc1O,0.4715834531777385
+Nc1nc(N)c2c(n1)nc[nH]2,0.433000653333118
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.48500311218435227
+Oc1ncc(c(n1)O)F,0.1882362582380312
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.8627661814173079
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.11127159024265544
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.5267368362022878
+O=NN1CCCCCCCCCCCC1,0.8212205259709725
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.398185486347459
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.6800033507385329
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.17237265043846028
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.2322149063115955
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.1615906803104235
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.5652962392848683
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6609457728120145
+C/C(=C\C)/CCl,0.4139924407278991
+C[Si](N=N#N)(C)C,0.5236693600931962
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.14318714917961298
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.3568398638639673
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.3517107414249273
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.6068602566321175
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.19509094372896926
+Cc1ccc2c(c1)ccc1c2cccc1,0.7528263803603877
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.6019452564475211
+C[n+]1c2ccccc2cc2c1cccc2,0.7593523311824355
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.37251513155459776
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.6208593622928169
+NC(=O)/N=N/C(=O)N,0.23562376533410576
+C=CCOC[C@H]1CO1,0.8031504074123701
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.785709285117669
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.15498934349745527
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.18520236664451467
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.22922421081694944
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.7689674511096392
+ClOCl.[Cu+2],0.22316028707131105
+OCC(CO)O,0.21866775625615462
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.28750886776035817
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.22404406866039564
+OCC=C,0.2647137890488172
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.2514200518501836
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.7076597716898299
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.45719189629637497
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.4474228951478943
+O=CCC=O,0.23136247551436656
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.3249984452956304
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.47478175626787195
+Nc1sc2c(n1)c(Cl)ccc2,0.26759349820614053
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8550007590774727
+C[C@@]1(CO1)C=C,0.4091958902907988
+OC(=O)Cc1ccc(cc1)N,0.5206516493282402
+CCN(C(=O)N(C)C)N=O,0.892964487558091
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.3046145799495239
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.7102700322573771
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.18238632201194946
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.16670957351613924
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.1907014688581708
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.3919352716134496
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.42024547109130395
+C/C=C\C=C/C=O,0.7313035587301013
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.4519967444325887
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.5082484938773115
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.20306739265360474
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.20986410550657544
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8655571121090512
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.7977512460543739
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.18684584988377906
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.6529759307287325
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.2961085523948574
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.38066081100213434
+C=O,0.22856249494016886
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.7077763472651734
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.26541282324515
+CCN/N=N/CC,0.4742272242771404
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.8734169525389159
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.821902604499121
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.17850437397249475
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.813402591084718
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.7717946582537394
+C=CC1CC2CC1C=C2,0.14034167364235536
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.11767176028635729
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.7173479287495622
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.40387901517564684
+FC(c1ccccc1)(F)F,0.1480015446061588
+OC(CO)CN=N#N,0.9269405575032438
+BrC(C(=O)O)Br,0.19858505968503828
+Br/C=C/Br,0.23775917967496696
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.48501783249740943
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.4251038978051326
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.3973648014192966
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.3942067382579092
+Cc1ccc(cc1)N(C)C,0.5035338993497946
+Cn1nc(c(c1)C(=O)O)C(F)F,0.18306057039839127
+Nc1cccc2c1nc1ccccc1n2,0.7208075345828492
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.8517929440668423
+COc1cc(OC)[nH]c(=O)n1,0.13549598902258597
+CCCC[C@H](COS(=O)(=O)O)CC,0.15090095613701549
+CCCCCCCC/C=C\CCCCCCCCN,0.15856859786267657
+OS(=O)(=O)c1ccccc1,0.25254022773580265
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.7132560278806774
+CCC/C=C(\C=O)/CC,0.49039264797703597
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.2887101299944192
+C[C@H](CBr)O,0.5941188885255619
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.25488953913979107
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.19676939902266463
+O=NN1CCN(CC1)N=O,0.888413387400275
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.7175089213681607
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8225198306412251
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.584138095613257
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.7930480340418847
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7840479202445628
+FS(=O)(=O)F,0.22856249494016886
+C1OC(=O)C=C1,0.402752645723481
+O=C1C=CC(=O)C(=C1)C,0.23206029419344715
+ONc1ccc(cc1)Sc1ccccc1,0.8306898261741246
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.8637637265984086
+COc1ccc(cc1)C(C=C)O,0.26434832986572476
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.19495901867331666
+CC(=O)Nc1cccc2c1ncc(c2)F,0.5589201797045459
+CC(OC(=O)Cc1ccccc1)C,0.2367507755802478
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8058315652788399
+COCCOC,0.23112464592370183
+[O-][N+](=O)c1ccc(c(c1)C)C,0.7714777497774513
+Oc1ccc(nn1)O,0.22746759356664234
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.503385021984751
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.7713921178266205
+O=C1C=C(N)c2c(C1=O)cccc2,0.5075343025156448
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.5132957392367821
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.5728654288992102
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.24023450939925384
+Nc1ccc2c(c1)nc(c(n2)C)C,0.7093926893631592
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.6238011868737872
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.6657478478157656
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.7663656336242076
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.1475781300343821
+Clc1ccc(c(c1)Cc1ccccc1)O,0.25449591646907643
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.6024123099760178
+ClCc1ccccc1CCl,0.29723604596126457
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.199352821068899
+O=C(C(Br)C)NC(C)(C)C,0.7883035674688234
+COP1(=S)OCc2c(O1)cccc2,0.40650969023979877
+CCOC(=O)CC(=O)CCl,0.33949899245306603
+C=CC(=O)OCCCCCOC(=O)C=C,0.13550284344287003
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.8140751827063787
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.18712215477068103
+CNCCS(=O)(=O)O,0.23625223749764648
+Nc1ccc(cc1)S(=O)(=O)N,0.5295671837466971
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.8198873933800594
+[O-]S(=O)(=O)[O-].[Fe+2],0.23584727655362642
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.8068454801315681
+CCOC(=O)CBr,0.2342227139623219
+ClCCCCN(COC(=O)C)N=O,0.8579293309426894
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.82818397657751
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.8587680930635566
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8130160156627062
+O=C1C=CC(=N#N)C=C1,0.440694587012029
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.42127611641774915
+O=C(C(=O)O)C(=O)O,0.20907938829644215
+Cc1cnc(c(n1)C)C,0.24062356686799008
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.17200639156941852
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.7962628526867234
+CC/C=C/1\OC(=O)c2c1cccc2,0.278443434556831
+Oc1cc(O)cc(c1)O,0.24353755066745125
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.2638811528346927
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.1783721565412956
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.39255340218682744
+CC(Cl)C,0.4230345064916297
+CCCCCCCCCCCCCCCCCCN,0.15443672913403036
+N#CC(Cl)(Cl)Cl,0.20690402773750224
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.7525800916334074
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.7938764346687031
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.1282953331709896
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.6768112779669101
+CC1CCc2c(C1)occ2C,0.2167983146435103
+O=C1CCC(=O)O1,0.2314398852006046
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.4273274423282475
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.6528973195545079
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.62110302424834
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.18735083254874013
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.2433223609132457
+CCOP(=O)(SC(CC)C)SC(CC)C,0.20591661943807685
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.2174010142141359
+Clc1ccc(c(c1)C(=O)O)O,0.19001294874693536
+CCCCOCCOCCSC#N,0.18620407894842947
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.20166313686021117
+NC1CCCCC1,0.16151711812268385
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.7482790422725591
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.5882039906345351
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.11369320100013278
+CCCCCCCCCCCl,0.2636039443961479
+O=c1nc[nH]c2c1cccc2,0.5349628307576193
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.7464630858623643
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.8221339684636133
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.8618428602661934
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.7803842828467457
+OC(=O)c1sccc1S(=O)(=O)N,0.16267213171799869
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8131668481297809
+NC(=O)Nc1ccc(cc1)Br,0.12333117267997165
+O=Cc1ccc(c(c1)Cl)Cl,0.168283539901231
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.7608750144756183
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.20857649958141852
+CNc1ccc2c(c1N)cccn2,0.7123398238743208
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.8326913020514837
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.5594372172559278
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.22168304606127098
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.720525156091017
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7944464675895254
+COC(=O)C1=C(CC)C(OC1=O)C,0.2613933076479813
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.6015129780494787
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.7432699356143246
+COC(=O)c1ccc(cc1)C(=O)OC,0.1478983830941621
+OC(=O)CCCc1c[nH]c2c1cccc2,0.3321135536512883
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.143469207835135
+Cc1c(N)ccc(c1C)N,0.6480621880631211
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.7896587772051431
+CCN1CCN=N1,0.4065843760477842
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.28730065410571
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.8294174433403307
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.6852310221558677
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.7134610894044142
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.8299416061337713
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.6754215918286516
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.3927262575752488
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.7957547552801282
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8081791264160825
+NCCS(=O)(=O)O,0.2324493828812876
+Nc1ccc2c(c1)c1ccccc1cc2,0.7840657396991558
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.47324429983473637
+CCOc1cccc(c1)N,0.6081505012553636
+O=NN(c1ccccc1)C,0.5817672394598666
+OOC(C)(C)C,0.634015869668607
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.7109444671405822
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.5908553847481257
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6063189141031371
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.1480267430370726
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.6726393270900318
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.21566164101316065
+CCCCCCCCCCCC(=O)NCCO,0.15763301618955783
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.5316999268136656
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.7365596843807759
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.3418621590810224
+[N-]=[N+]=NCCC(C(=O)O)N,0.5556289062236481
+ClCCOC/C(=C\Cl)/Cl,0.659368638774366
+BrCC(=O)NCc1ccccc1,0.4277958160288895
+SC(=N/C=C/N=C(S)S)S,0.22856249494016886
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.8214959873248883
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.8609258078809068
+Cn1c(N)nc2c1cc1ccncc1n2,0.5709377744862151
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.6834376239567044
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.6044052740190836
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.6716439294881836
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.895293156053117
+OCCOCCOCC,0.2138563032201596
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.19784939998148124
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.3412933086282807
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.1528552968105101
+ClCCN(C)C,0.6252759531911551
+BrC[C@H](c1ccccc1)Br,0.5755826748272045
+Nc1ccc2c(c1)scn2,0.6764400229845652
+CC(C(=O)O)N,0.24239653900500893
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.5744824121306709
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.6258183531204254
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.18928076977591443
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.2547859759061435
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.741582471958409
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.46338181631382575
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.40472859480438306
+CC(=O)C1(CCNCC1)c1ccccc1,0.24531281319751222
+ONc1nc(N)nc2c1[nH]cn2,0.7557502557583837
+COC(=O)c1ccccc1CS(=O)(=O)N,0.1766921445462368
+CC1CCN(CC1)N=O,0.8362561089333627
+Oc1ccc(c(c1)O)C(=O)O,0.2000531064759238
+[N-]=[N+]=NCCc1ccccc1,0.5847399471904925
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.13922515701484425
+S(Cc1ccccc1)Cc1ccccc1,0.2615743473559974
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.47517314643769587
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.19453782675087813
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.7930246072797361
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.34430867523470693
+NC(=O)C[C@H]1CO1,0.7362924755700258
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.564531587424263
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.6865745874378162
+c1ccc(cc1)N=Nc1ccccc1,0.5799977357131761
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.49935818419722705
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8002716404878274
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.1617499770859007
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.14726260707466401
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.15763348901862
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7785908053785005
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.734061493561521
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.818047875504319
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.42609681301354757
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.16558134239648864
+COc1ccccc1N,0.6710200785488644
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.2580808678112164
+CCCCCCCCCCCCCCCCCC(=O)O,0.14988791579601685
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.6301948901108257
+c1ccc(cc1)/N=N/c1ccccc1,0.5799977357131761
+OCNC(=O)CCl,0.4615229232618678
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9080250645262647
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.19802480742206657
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.9280782906097346
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7397043042953828
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.715217234112197
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.6177147940987475
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8663289876936746
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.2775321836027004
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.3340967851796494
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.8146930010038046
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.8666906793722806
+OP(O)O,0.22856249494016886
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.8689972853484991
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.1565025365112586
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.31310258045406364
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.4434074003785017
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.21118587012607445
+N=C(Nc1ccccc1)Nc1ccccc1,0.45119306472734866
+OC(=O)c1ccccc1C,0.19780816965951198
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.8576776064271469
+C1CCC2C(C1)c1ccccc1CC2,0.15427868134470435
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.4781457663939691
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.7093866858575435
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6547055905876461
+Clc1cccc(c1)NC(=O)N(C)C,0.17572797314664776
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.8235258526089829
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.6962694366333524
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.2790092569566441
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.21678039021755588
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.387049934038154
+O=Cc1ccccc1Cl,0.20368938462645017
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.6262543044187691
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.2193447279598236
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.8721783699603348
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.7983356118634298
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.25506238650997265
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.8522786703727652
+CCNC(=S)NCC,0.2596809487846512
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.14803337618118168
+OC(=O)C1(N)CCCC1,0.17354258887298646
+Clc1ccc(cc1)CC[C@@H]1OC1,0.4478960386329941
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.134041124516351
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.29259764946328687
+CCc1ccc(nc1)C(F)(F)F,0.13665814194865275
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.27134916930561664
+CCC(OS(=O)(=O)C)C,0.6789655889101354
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.4546721244845232
+CC(C(=O)Nc1ccccc1)Br,0.6682156750698915
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.6992632181723151
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.2949415144759893
+CC1CCCO1,0.4096156061106575
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.5280488673062192
+Nc1c2CCCCc2nc2c1cccc2,0.6754706952918228
+CC(CC(=O)C)C,0.18277694671398526
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.14790986478474286
+OC(=O)CCc1ccccc1,0.17580401164198045
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.17603817023364765
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.6357193821926442
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.4524441973884814
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.48561946488148366
+CCCCCCCCn1sccc1=O,0.17602232402669843
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.4838379184155149
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.17276242623451452
+BrC[C@H](Br)C,0.7854615703608613
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.2368307301289328
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8207335708067962
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.8558780439234922
+OC(=O)CCc1c[nH]c2c1cccc2,0.3385969390583017
+CCN(c1ccc(cc1)[N+]#N)CC,0.6100364825518109
+COc1cc(ccc1O)C[C@H]1CO1,0.7665701039706291
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7758421142015216
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.17174668421778821
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8549600746558803
+COc1cc(F)ccc1[N+](=O)[O-],0.7563485286748483
+OC(=O)COc1ccc(cc1Cl)Cl,0.1495194677524769
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.24527172497591493
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.4395880123944336
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.17896875422016645
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.6825075276105932
+Oc1ccccc1O,0.2625479140058994
+ClC(=O)c1ccccc1Cl,0.46436671118674117
+BrC[C@H]1CO1,0.7943180503908488
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0.1509387290184406
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.8013692547033837
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.18383842663519184
+O=NN(C(=O)N)C[Si](C)(C)C,0.8548035453925334
+Oc1cccc2c1cccc2,0.5850343935878326
+COc1nsc2c1cccc2OC[C@H]1CO1,0.7890345296317026
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.7919056246971045
+Clc1ccc(cc1)C(=O)Cl,0.37724167728941305
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.10775266090673731
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.7909495280023499
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.4234702366600631
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.8865520632660465
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.14436841262351913
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.6572769630188635
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.4561341843210621
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.239943322005081
+O=Cc1ccc2-c1cocc2COC(=O)C,0.648928702834816
+CSCNc1ccccc1C(=O)C,0.4470973376060405
+CC1(OC1)c1ccc(cc1)Br,0.3201209897097556
+N=c1nc[nH][nH]1,0.2106183671413438
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6466160719154921
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.6372801366149523
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.8568594944080067
+Cc1c2ccccc2c(c2c1cccc2)C,0.7062918779864087
+CCCCCCCCCCCCCCCCCC(=O)N,0.1620209250656679
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.38204608819757574
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.16617936150577617
+CCC(=O)O,0.15831070128027763
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.5733993976403007
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8551950086343044
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.5718592007973778
+O=CNc1ccccc1,0.28919125544227375
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.7373611337604972
+O=C1NOCC1(C)C,0.23303000059137244
+O=c1cc(n(n1c1ccccc1)C)C,0.48398881091387175
+O=C/C=C\c1ccco1,0.6078905649162695
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.49505128265165305
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.8007319447137095
+NC(C(=O)O)CSCCCl,0.5696160929731373
+COC(=O)C(=C)C#N,0.21022608308608937
+C/C(=N\O)/C(=O)C,0.2798330023098297
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.858990676117187
+ONc1ccccc1C,0.7914620960514417
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.5754288300892355
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.738729300661446
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.20764105985111828
+OCc1cccc(c1)[N+](=O)[O-],0.7376676147702518
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,0.15457082276871104
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.23879530115418388
+COc1ccc(cc1N)N,0.7466325083173471
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.28236292900196486
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.8509035225980188
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.43564409806175436
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.7960589869857585
+OCCNC(=O)N(CCCl)N=O,0.9238992186270943
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.35938405718905825
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.794632771726044
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8403296654741454
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.605300110822973
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.722471567217154
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.24938776533028692
+C1OCCO1,0.2967294158879283
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.6062043435901416
+CCCCCCc1ccc(cc1O)O,0.18655954760509647
+Nc1ccc(c(c1)N)C,0.7360268533707555
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.743292458133327
+Cc1cccc2c1cc1ccccc1c2,0.7744169616197931
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.23719975434537338
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.7947280691470014
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.40037781034250475
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.6916511341439863
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.6425085961461238
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.4991236815042365
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7277885410206586
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.5667740557720713
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.38960833640727016
+CCN(C(=O)Cc1ccccc1)CC,0.25621643137951705
+S=c1scc(s1)c1ccccc1,0.46601410689627687
+COc1nncc2c1ccnc2,0.3523617720131129
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.17138342253713298
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.20133286787892538
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.7860746203588321
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.2520347539570987
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.19763774075302623
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.4703829809066964
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.7363823055510663
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.8550860605549638
+ClC#N,0.22856249494016886
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.2747140485839682
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.24086840190777228
+CC=O,0.24105518455384337
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.843619215192104
+Oc1cccc(c1)N(C)C,0.49917782320074466
+CC(C(=O)NCc1ccccc1)Br,0.7507264226953813
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.37673622137183005
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.12522643845169526
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.6619182248116456
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.25926730123746106
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.12500104072747711
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.30004321571212783
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.39054732789187047
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.818386574722242
+CCCCOC[C@H]1CO1,0.5728579562928172
+COc1ccc(cc1N)NOS(=O)(=O)O,0.6884086528931436
+CCOCCOC(=O)C,0.2674505172644162
+Clc1ccc2c(c1)oc1c2cccc1,0.3263969536205383
+ClCc1ccc(cc1)C(F)(F)F,0.13876910286348768
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8550860605549638
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.5979788529212586
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.19490755485177813
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.27052027032194637
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7845303554763067
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.13525695716624037
+O[C@@H](c1ccccc1)[C@H](N)C,0.2157466204801283
+O1CCOCCOCCOCCOCCOCCOCC1,0.22516014534490722
+c1ccc(cc1)Oc1ccccc1,0.28163081847396404
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.3012695426159485
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.6276237227333737
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.7350089818432145
+N#CCc1cn(c2c1cccc2)N=O,0.49269935061388986
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8029572074373068
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.16348563888560907
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5312816856939077
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.23696545647992667
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.8224647571676291
+CC1=Nc2c(C1(C)C)cccc2,0.4462112011467405
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.20754336087588965
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.3982286880669074
+CC(N(C(C)C)N)C,0.23727055150775178
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.809835636285555
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.7810237101767584
+COc1ccc(cc1)CCC1OC1,0.7471670373072228
+CCNC(=N)N([N+](=O)[O-])N=O,0.7295350212911107
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.21183283136136857
+ONc1ccc(cc1)N=Nc1ccccc1,0.7849399044166376
+C1CCC(CC1)NC1CCCCC1,0.16380782164155291
+ClC(=O)c1ccccc1C(=O)Cl,0.7136188273451625
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.16085184792714766
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.8298799112190307
+NC(=O)N=NC(=O)N,0.24666765348014477
+CCOc1ccccc1OCC1CNCCO1,0.37324309251015764
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.7858997095331094
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8619169662812445
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.20193080315553097
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.7639636492225864
+CCSCC[C@@H](C(=O)O)N,0.2639272592249973
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.7233798386403967
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.809545417497344
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.642857351206591
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8725676914791779
+COS(=O)(=O)C(F)(F)F,0.4475332170049466
+COc1ccc(cc1N)[N+](=O)[O-],0.8104482141528464
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.7006254308786094
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.5197439297015427
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.8403714682717682
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.20114029904253924
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.7963094859539772
+CCN(C#N)N=O,0.5882447262857797
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.3665530852287491
+CCN(CCCC(=O)O)N=O,0.6565037387011797
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.6032777978148878
+OCCNC(=O)[C@H](O)C,0.28775622719438315
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.16811032940378834
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.7985918504096261
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.16118579589500956
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.46479559464050385
+OC(=O)CCC(=O)CC(=O)C,0.147124304306392
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.8941080420370895
+O=C1CCCO1,0.1751298157232102
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8114374535799833
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.7853182091257781
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3[N@@]4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.10899856163797332
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.48578863255744137
+N#N=NCCC(c1ccccc1)c1ccccc1,0.8831550442354978
+C[C@H]1CO1,0.7347875748954431
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.1678648832702841
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.7157438302785046
+CCN=NC(OO)(C)C,0.7283201448895665
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.7132622938540042
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.8692302090688181
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.7105766678781851
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.17014187319434673
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.1710717486695551
+C=CCOC(=O)C=C,0.3877883976586802
+C/C=C/C=C/C=O,0.7256971330016598
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.7665984458807297
+O=Cc1ccccc1[N+](=O)[O-],0.7425648384670458
+OCCN(N=O)CCO,0.8948463540074633
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.4287641664503957
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.17004392138954658
+CNCC(=O)O,0.17848409256689926
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.24390206653572347
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.7481810452582256
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.7358535396783042
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.8061602516208685
+OCC12OOC2(C)c2c(O1)cccc2,0.6650331176623203
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.8591179937918505
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.6089816565916113
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.27556638532274547
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.8246840553622133
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.7301524323558092
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.588539790558526
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.8623309735922561
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.19471322485141535
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.7696455657390832
+ClCC(=O)OC(C)C,0.3845279965456585
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.8548235207139588
+[O-][N+](=O)NC(=N)NC,0.4876012219325558
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.27127769941841856
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.8550860605549638
+ClC(=O)c1ccc(cc1)C,0.6477748304134658
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.4245995771240293
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.1239508419243055
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.34063661085129543
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.7853406775189397
+C=CCN=C=S,0.23471801067198605
+CCN=NO,0.454105366166282
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.23430748275301283
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.7043090295572486
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.8166769541292241
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.1946557921417964
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.37008550537507984
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.6755430994276269
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.3556384660809462
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.35477952000970553
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.6844219763962166
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.819235199202617
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.8686936470343491
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.2749961563066163
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.4050412132843419
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.4564054664879754
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.8415895153402443
+Clc1ccc(c(c1)C)O,0.19211718457600052
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.6840575286661219
+CCC(=O)NCc1ccccc1,0.4310131223664771
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.7850005148396101
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.4996372241712038
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8156738778948505
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8154027643321926
+O=Nc1ccc2c(c1)cccc2,0.751564999328996
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.27969528713418773
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.5269942535380501
+OCC(CO)(CO)CO,0.23320611280125392
+CCn1c2ccc(cc2c2c1cccc2)N,0.771734862612479
+Clc1ccc(c(c1)N)O,0.3254755865630754
+CCNc1ccccc1,0.5586576071437805
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.4094356333496693
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.5058165284043162
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.17104734572113744
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.26642475987103864
+C1CC[C@H]2[C@@H](C1)O2,0.16117372542962258
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.3468040980057216
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.6786302433575772
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.8595321992489711
+OCC(Cl)(Cl)Cl,0.24161288664662736
+OC[C@H]1CCCO1,0.41666972730533
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.16199545179490907
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.8263553938582265
+C/C=C/C=O,0.703038409220742
+CC(OC)CCO,0.26109885360412693
+OCC#CCO,0.2637549712482595
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.11086450287618416
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.2298059019769288
+O=NN1CCOCC1,0.8693202088847165
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],0.7684595619199837
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.7475037152760293
+c1cnc2c(c1)C1OC1CC2,0.24364197840689342
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.11208723644800792
+S=C1SSC2=NCCN12,0.2626391444268885
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.1296929252479544
+Oc1cc2ccccc2c(c1)O,0.6059695140859989
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.7805501507085306
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.237530322735899
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.7686766216839237
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0.1772763857530238
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.32148383284666415
+O=CN(N=O)C,0.9143924249477067
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.7684137986321621
+OC(=O)C(Cc1ccc(cc1)O)N,0.2527396177416687
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8198873933800594
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.24598293946244362
+ClC([N+](=O)[O-])Cl,0.32783991058586964
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.32894555027474887
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.31432948274906736
+CC(=O)Nc1cnc2c(c1)cccc2,0.5935448701334656
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8235658620899048
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.15792891422384184
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.6573485574906555
+C[N+]1(C)CCOCC1.Cl,0.22088486510435335
+C/N=N/O,0.5169139217033883
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8401282443102733
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.24998574717479433
+CC1CCCC2(C1(O)CCCC2)C,0.1562093782084233
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.8013942003543211
+Cc1cccc2c1cccc2,0.7125890326077138
+Cc1ccc(cc1)/N=N/N(C)C,0.7019271941125235
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.4546721244845232
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.4845298037097228
+CCOC(=O)C(C(=O)C)Cl,0.18468883733349853
+OCNC(=O)NCO,0.229874279963167
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7850011023086593
+O=C/C(=C\c1ccccc1)/C,0.5356440410375439
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.6342124685885527
+NC(=O)N,0.22596087253837055
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.6586735044056699
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.4407713556857379
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.8050993190147776
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.2613933076479813
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7984136507935464
+ON1C(C)(C)CCCC1(C)C,0.18729433230770198
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.35142828967407885
+BrCc1ccccc1,0.26568734293110563
+O=C1NC(=O)c2c1cccc2,0.2647126365733126
+ClC1=C(Cl)C(=O)OC1,0.7568416382648457
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.24748272055182652
+CN=NO,0.5169139217033883
+Cc1ccc2c(c1)cccc2,0.6592926576166902
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.7683403399464903
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.476995126779265
+CCCC(C(=O)O)CCC,0.1745019287349407
+O=Cc1cccc2c1nccc2,0.5050378117556378
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.8189985800665887
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.5131062150617173
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.6443510094857193
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.37498202313316437
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.7801645225331857
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.3372343447732962
+ON(c1ccc(cc1)Br)C(=O)C,0.409081355635223
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.6438672505912828
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.6985453203959556
+FC(=C(F)F)F,0.2368620951949527
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.44030024072167334
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.2680309494517322
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.820731515847248
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.8066668233162376
+Clc1ccccc1C(F)(F)F,0.16119512455726404
+Clc1ccnc2c1cccc2,0.4949654420301467
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.5377657208335416
+CCCOc1ccc(cc1N)N,0.6375851509432888
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.1574301663957617
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.7236135891480557
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.12797372014384312
+Sc1nc2c(s1)cccc2,0.38204608819757574
+CCCCCN(CCCC)N=O,0.70998012478165
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.79903729573508
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.7495451972924989
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.35744066443782063
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.5614884220666427
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9382748365013295
+NCCCN(CC)CC,0.1920630710509453
+NCC[C@H](N)C,0.18153610560019715
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.6444662132129186
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.18258854244152511
+C1CCC[C@H]2[C@@H](CC1)O2,0.16117372542962258
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.4555861217452854
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.47682340659774863
+OC(=O)C(CC(=O)c1ccccc1N)N,0.4736119161455464
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.15982827805642116
+NC(=S)Nc1cccc2c1cccc2,0.621361851733951
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.8028448654426462
+Cc1cc(O)nc(n1)S,0.21924709464064662
+COc1cc(ccc1OC)C[C@H]1CO1,0.7987971772107214
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.2223926234612934
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.8143436706103034
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.8255693406805252
+NCCCNCCCN,0.24180942910059242
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.18168762800312857
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.18005358852957185
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.21628210908475637
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.760189968865745
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.6462047422178644
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.15843396030573056
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.20419554335881604
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.6492956261973941
+FC(C(F)(F)F)F,0.1899474434984794
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.1755971885100445
+CCNC(=O)CC[C@@H](C(=O)O)N,0.2775066593006106
+CCOCCOCC,0.21365227603796624
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.11663826609908157
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.22869327814267335
+NC(C(=O)NCC(=O)O)CS,0.3549859437264616
+C=COC(=O)C=C,0.2185846752683237
+OCCP(=O)(O)O,0.22744210837265635
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7907824317579378
+N#N=NC(c1ccccc1)c1ccccc1,0.725120116809549
+OC(=O)CP(=O)(O)C,0.18631165963304275
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.6863550149261142
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.8080604659147962
+[O-][N+](=C1CCCC1)[O-],0.23814628908651864
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.4784013865419378
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.20857649958141852
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.7571169308268222
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.6931842833313953
+c1ccc2c(c1)cncc2,0.6340740812410716
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.3594683671353043
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.4538171673605028
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.5522924221068807
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.16382579523493732
+CCc1ccc(cc1)[N+](=O)[O-],0.7784622623024875
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.732054270336326
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.645259635617957
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.1979169905082272
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.5198478509477436
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.1384273787114523
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.8539891694947048
+CCCSC(=O)Cl,0.21178435083194141
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.7752895232735901
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.5132494624317577
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.7637281835487776
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.48159105022394316
+OC(=O)/C=C/C(=O)O,0.19701318206708762
+COC(=O)C12OC2(C)C(OC1=O)C,0.5339419100400911
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.11591430797165012
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.6688417593879096
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.840736153703699
+CCCCc1cc(C)cc(c1O)CCCC,0.21197190140841593
+ClCC(=O)N(c1snc2c1cccc2)C,0.5349272602184487
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.7929877004993142
+N1CCN(CC1)c1ccccc1,0.49687126684410604
+OCc1ccc(cc1)NNC(=O)C,0.48757777236943844
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.09388456163017835
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.4074911243854352
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8950192460700962
+O=C1N(C)CCCN1C,0.23318050171647975
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.6835828347515419
+ClCCSCc1ccccc1,0.5550940271933846
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7902553539299381
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.6001736098666862
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.30958376903536167
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.1759549963577456
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.4814961305734996
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.8378532985010388
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.19802480742206657
+CCOc1ccc(cc1)NO,0.7235617157617705
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.12431793510736393
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.23903121888448117
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.7573446266694301
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.7950591858501356
+Oc1c2ccccc2nc2c1cccc2,0.6769599294142064
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.7175498544212984
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.6688417593879096
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.15109095479222395
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.6602904794528512
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.3395011844187225
+ONc1cc2c([nH]1)cccc2,0.6705091949476131
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.12935778579488
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.1706098428899213
+O=NN(C(=O)c1ccccc1)C,0.8219648307256933
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6918758841822656
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.6434776783897954
+O=Cc1ccc2c(c1)OCO2,0.22066986621049692
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.19314565565289338
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.4004267981619088
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.5253008671720447
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.2705346515807926
+CNc1nc2c(n1C)ccc1c2cccn1,0.793482192225153
+Sc1ccc(cc1)[N+](=O)[O-],0.7927522016069191
+Cc1cccc(c1N)C,0.5561304900685915
+CCCCCOC(=O)C=C,0.13860375189854648
+Nc1ccccc1SCSc1ccccc1N,0.6317893481259561
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.789835630010283
+ClCCN[P@]1(=O)OCCCN1CCCl,0.8881385545274211
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.2802914169932301
+CCOC(=O)CNC(=O)CBr,0.25711553085277417
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.5624995214947428
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.13966573445562525
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.276716225277567
+Brc1ccccc1c1ccccc1,0.5409664661921633
+CC(=O)OCc1ccco1,0.3627380365083864
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.237530322735899
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.17348032825979232
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.21542085293056684
+CC(N)(C)C,0.228805001262672
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.931698815503981
+O=Cc1cccnc1,0.19003972471508102
+Cc1cccc2c1nccc2,0.5842373413478215
+N#CCc1ccccc1[N+](=O)[O-],0.7043395682266528
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.07313761775568525
+CCON(C(=O)c1ccccc1)OC(=O)C,0.8123185311219621
+ClCc1ccc(cc1)C#N,0.2403150150044492
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.6594323878795213
+[O-][N+](=O)c1ccccc1Cl,0.6169224941253793
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.5849882816474179
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.8258054873245532
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.19323015841519503
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.5111810878589303
+Oc1ccccc1,0.24595846923336703
+O=NN(C(=O)N)CCCC(=O)O,0.6359276447672627
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.7666211978207333
+FC(C(F)(F)F)(Cl)F,0.18775894819441852
+CC(=O)NC(C(=O)O)CSCCCl,0.4952186372044641
+CNC(=O)Oc1ccccc1OC(C)C,0.2756052209745463
diff --git a/crossvalidations/mp2d/tensorflow/pred.svm.v4_ext.csv b/crossvalidations/mp2d/tensorflow/pred.svm.v4_ext.csv
new file mode 100644
index 0000000..c7ed642
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/pred.svm.v4_ext.csv
@@ -0,0 +1,8310 @@
+name,pred
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.1711336768077107
+c1ncc[nH]1,0.09954228708669659
+CN1CCC=C2C1CCc1c2nc(s1)N,0.310295802690132
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.8206185495764317
+O=C1COC(=C1O)C,0.3569740829169829
+OC(=O)O.[Ca+2],0.09535842599116862
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.2988026575121168
+CCCC,0.06836966066673852
+COc1cc(ccc1OC)C[C@H]1CO1,0.9357220166829842
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.23394553305328672
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.9162933863651955
+Nc1cccc2c1cc1ccccc1n2,0.9825053228865203
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,0.5
+CSc1nnc(c(=O)n1N)C(C)(C)C,0.12023074504420601
+O=C/C(=C(/C(=O)O)\Cl)/C,0.7284172086575632
+[O-][N+](=O)c1ccnc2c1cccc2,0.9644998601206606
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.6030805728591802
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],0.9407545659459442
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.08651037202074868
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9388778365740201
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8848712511424746
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.9780071329647048
+ClC[C@H](O[C@@H](CCl)C)C,0.836415473912525
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9266295874362432
+CCOc1ccccc1[N+](=O)[O-],0.7506587285771635
+CN(/N=N/c1[nH]cnc1C(=O)N)C,0.4462497000492788
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.8545744022230666
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,0.8968458318774395
+CC(=O)/C=C/c1ccc2c(c1)OCO2,0.11905881254592321
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9230047109884232
+O=c1ccoc(c1O)C,0.25731313590509164
+N#N=NCC1OC(O)C(C(C1O)O)O,0.842478729513062
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.08639360071703192
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9230394135918364
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.8905977420183041
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,0.414917034972893
+c1ccc2c(c1)cccc2,0.6358632160796689
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,0.9218347142968218
+[Al]#P,0.18029805559510037
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.9934559936810741
+[N-]=[N+]=NCCc1ccccc1,0.6556070758966132
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.9496209561805131
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,0.5232029316284152
+[N-]=[N+]=NCC(C(=O)O)(N)C,0.5330747429394206
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0.8887542048463395
+BrC(C(Br)Br)Br,0.16096209190669256
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.9617825054574911
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.14234507961162934
+N#CC(=Cc1ccccc1Cl)C#N,0.11908278519908187
+COc1ccc(cc1)CNC(=O)C(Br)C,0.9271414522524812
+CN(CCN(c1ccccn1)Cc1ccccc1)C,0.07134270269411482
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.10245813936002161
+OCCCN(N=O)CC,0.9669788072810565
+OS(=O)(=O)O.COc1ccc(cc1N)N,0.9739366436311606
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.08645010997147307
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0.08295592942686693
+c1ccco1,0.113655157814163
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.9688110900044241
+CN1CCC[C@@H]1c1cccnc1,0.11580026554151872
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,0.8958722133858922
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,0.9328167871106027
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,0.8266901308916375
+CC[C@H](c1ccccc1O)C,0.08946331189966057
+COc1cc(CNC(=O)C(Br)C)ccc1O,0.9230686487133566
+OC(=O)C[C@H](C(=O)O)O,0.0865052968446986
+N#Cc1ccc(cc1)C1(C)OC1,0.7027635230075508
+O=c1[nH]cc(cc1Cl)C(F)(F)F,0.062356080038230295
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.4684690237531596
+BrCCOC(=O)C(=O)OCCBr,0.9245174742941356
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.9903818754564631
+COc1ccccc1c1ccccc1,0.6655660953651508
+CCNS(=O)(=O)c1ccc(cc1)C,0.15106279612517007
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7935537040232982
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.08123710649489022
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.7749291724147892
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.3293699451415797
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.08891527105295981
+Cc1nc2c(s1)cccc2,0.2122884612270723
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.9521353481801055
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.0945818620029858
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.567643797816385
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.22328953471543497
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,0.8260115354780786
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0.12798288338656913
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.20123469273389175
+COc1c(C(=O)O)c(O)nc2c1cccc2,0.41192225785023234
+FS(=O)(=O)F,0.19452238513523956
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.8040995668890283
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9238803203934232
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.2146715462949557
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.05643072000700901
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0.08475362951919758
+CCOS(=O)(=O)OCC,0.5688736073170069
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.8109687818690747
+OC(=O)c1ccccc1O.[Na+],0.04211779029307634
+CC(=O)c1ccccn1,0.3560732217891724
+Cc1cc2-c3ccccc3Cc2cc1C,0.8927493426801821
+Cc1ccccc1,0.10004558517361595
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.9707245927292129
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.18516106882936337
+OCc1cc2c([nH]1)c1ncccc1cc2,0.7570543247314879
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.9230959067793395
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.8042809204482334
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.2128396403092707
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,0.387320146781088
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.7529191759940386
+CCN/N=N/CC,0.8328696550607565
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.17671699109932912
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.9239407514332805
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9564697297341411
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.08636045094333766
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9309215038648719
+Oc1cc(O)cc(c1)O.O.O,0.08553815582637017
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.10771029266856642
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0.14637551671385407
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7089911518606896
+O=Cc1cccc(c1)c1ccccc1,0.48244264040009527
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.8865339251454954
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.948747614883723
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,0.08647036101682232
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9298493142376889
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.08644170889229122
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.7360978734818324
+O=Cc1ccccc1,0.09604721931192291
+CCOCC(=O)O,0.06513402851810707
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.9490584969099792
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0.2967764970658775
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.08238715713402583
+OC(=O)C(Br)(Br)Br,0.08633848696958345
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.5194402955599218
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,0.0864285922567885
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,0.8256390769124612
+CCOc1ccc(cc1N)N,0.9513864113889751
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.21669244102969878
+OCCn1c(CO)ncc1[N+](=O)[O-],0.8249112698404838
+O=C1NC(=O)c2c1cccc2,0.1844176297332725
+O=CN(N=O)C,0.9048625862645402
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0.2487377869775193
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.04965331105121515
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.15812052319432676
+CCCCCCCCCC=C,0.053098686859315555
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.9170668170866745
+CCCCCCC[C@@H]1CCC(=O)O1,0.024045293297579155
+CNC(=O)ON=C(SC)C,0.35927470588006793
+Nc1ccc(cc1C)S(=O)(=O)O,0.562848377986818
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.9230791349711245
+OC(=O)c1cccc2c1OC(O2)(F)F,0.03427711387053437
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0.8269220417642053
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.16974954989605456
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.930571608825019
+OCCC(CCC=C(C)C)C,0.06544811782101902
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.774045926126562
+COC(=O)C12OC2(C)C(OC1=O)C,0.8736899241953715
+Fc1ccc(c(c1)[N+](=O)[O-])F,0.8544857781518786
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.11336826176539382
+O=NN(CC(=O)O)CC(=O)O,0.7891659471517213
+CN(N=Nc1ccccc1)C,0.9436712065788531
+COc1ccc2c(c1)nc1c(c2OC)cco1,0.8089866938005417
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.10073727657269031
+c1ccc2c(c1)occ2,0.2859334862912367
+CC1=Nc2c(C1(C)C)cccc2,0.5124861313258288
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,0.9230765304895961
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.07310893032956088
+OC(COc1cccc2c1cccc2)CNC(=O)C,0.2712384693409836
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.06987651453476228
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0.4443134051715348
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.3699389831998061
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.11564656961422659
+C1CCNC(=O)N1N=O,0.9286060441228596
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,0.6157591871844617
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.9820871286058926
+CCCNCCC,0.08002250208565097
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0.13479065203552046
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.3209542177559794
+ICCc1ccc(cc1)OCc1ccccc1,0.13520337920330378
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9489029327884204
+OC1OC(=O)C(=C1Cl)Cl,0.9230579317960513
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.12145542256560236
+O=NN(Cc1ccc(cc1)Cl)C,0.878941007329762
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0.09821609177229643
+Cc1ccc(c(c1)C)O,0.11993106098900738
+CC(=O)Nc1cnc2c(c1)cccc2,0.7393606715811909
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.8981726091871994
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.08648607883759629
+COc1cc(OC)c(cc1C1OC1C)OC,0.4196143715493273
+CN(C(=S)N(C)C)C,0.08935321224338443
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,0.9110209584504656
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,0.5096288420271939
+OC(=O)CCC(=O)CC(=O)C,0.061863638114192106
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0.08515520171409179
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.08999710182015977
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0.03323444157384465
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,0.9185999563912746
+NS(=O)(=O)c1ncn[nH]1,0.09600743158183596
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.08648181585734879
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.49047563381922515
+OC(=O)C(CCS(=O)(=N)C)N,0.08647141093655347
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.05297138038779812
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.0883006964219876
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,0.9550710548194732
+OCc1cccc(c1)Oc1ccccc1,0.13135780741079056
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.13296167092692657
+c1ccc2c(c1)c(CCC1CO1)ccc2,0.984449698416444
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,0.14146382889260448
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.741116619293702
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.9585593744128457
+N#CC1=Cc2c3c1cccc3ccc2,0.6698821817231266
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.20562072131781334
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.8500622690535087
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.9391436228052866
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.9604058646261142
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,0.09017306087161399
+OC(=O)c1cc(O)c(c(c1)O)O,0.04343704202840809
+OCC(COP(=O)(O)O)O,0.0816950621898632
+CCCCCC[C@@H]1OC1,0.08652605084284859
+O=C/C=C\c1ccccc1OC,0.583166971394642
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.08765206662828533
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.9229960162221097
+OCc1ccc(cc1)OC(=O)C,0.23529442850390356
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.5588578817408606
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.08646367222108191
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.9831443967657094
+O=CNc1ccc2-c3c(Cc2c1)cccc3,0.8883174377498041
+Nc1ccc(c(c1)[N+](=O)[O-])N,0.9883661578846799
+CCN(c1ccccc1)Cc1ccccc1,0.6128529888540992
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,0.974521354951995
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.04108748113587246
+CCCCCCCCCCCC(=O)N(CCO)CCO,0.0914756890534682
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0.8306119489529742
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0.3820893646650102
+BrCC1=C(Br)C(=O)OC1,0.8817206528162792
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.8907379311319015
+O=Cc1ccccc1Cl,0.10217070030167284
+[O-][N+](=O)[C@@H](CC)C,0.16035655359981416
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.93530736594462
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.35140102509272186
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.0864483837052887
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.9638562272846649
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.9210444991144318
+CC(=O)OCC=C,0.18501516793758074
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.975646874169569
+Nc1nc2c(n1C)c(C)cc1c2nccn1,0.9134410402919994
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6706622666892097
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.9623439686898015
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0.08648962908051283
+CCCCCCCCCCCC=C,0.053098686859315555
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.875312356145883
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.7959795917485234
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.9361513622729478
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,0.4683254180137572
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.08635232991707811
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7978370390257851
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.028628128811936195
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9813985171508666
+O=C1c2cc(ccc2OC21CC2)C(=O)C,0.2040816672923797
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.5980355135000304
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,0.9539961592980991
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.9536271564061559
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.9422830893791603
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.4678927110681039
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,0.13098384259996945
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9521599771794889
+ONc1cc2c([nH]1)cccc2,0.803467895276082
+BrC(C1=C(Cl)C(=O)OC1)Br,0.9036559174860893
+NC(=O)NO,0.24467906419828234
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9676519722180238
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9555037166994224
+CC(S)C,0.1609540805087466
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,0.7270909054042806
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.9313737805079679
+CC(Nc1ccc(cc1)Nc1ccccc1)C,0.0678703286196148
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,0.6308489789731169
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.16622412975266188
+N#N=NCCC(C(=O)O)N,0.9464992536695996
+C1CCc2c(C1)cccc2,0.13037280074310723
+Clc1cnc2c(c1)cccc2,0.5
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.15772677347689687
+Nc1ccc(cc1)c1ccccc1C,0.9699282999046653
+C[C@H]1CO1,0.923007821238624
+CC1(OC1)c1ccc(cc1)Br,0.47732102970561757
+Nc1ccccc1SCCSc1ccccc1N,0.8456666290366256
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.057479170038505896
+CSCC(C(=O)O)N,0.13807341969733364
+[O-][N+](=O)c1c(C)cccc1C,0.7536067437660637
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.08207951223485786
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.08861716573339382
+Brc1ccccc1c1ccccc1,0.2643239040549487
+CCCCCCCCSCN1C=CN(C1)C,0.11654780827375337
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,0.5747935996705932
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9808245312334969
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8581359418365245
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.04507695366942954
+ClCC(CCl)O,0.6810069455498867
+ClCC1=C(Br)C(=O)OC1,0.9342150128342059
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.9664641280620935
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,0.14034191637394663
+Oc1nc(Cl)nc(n1)Cl,0.13488766464400972
+CCCCOS(=O)(=O)C,0.9121362538682217
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,0.9408333246502165
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.07400787151100165
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.942260042131519
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9274527025544684
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9450492005131671
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9476332493437913
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.1984021481013726
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.08639469410753214
+C1=C[C@@H]2[C@H](C=C1)O2,0.3081876753779733
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.8183113802132446
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.8899444617808032
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.9444227903455581
+CCCC[C@H](COCCCN)CC,0.06873810666206133
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.0863821336517957
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,0.09119499941048154
+Clc1cccc(c1)c1nc2c(o1)cccc2,0.13725515974404778
+NCCS,0.1838368638587679
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.08210466867648283
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.0864302588458506
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,0.08962336182005456
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,0.08566085018506686
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.22667769375376284
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.08644359910649371
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9243899713831533
+CC(=O)NN,0.3900961405654147
+BrC(=C)C(=O)C,0.350515016526304
+C[Si](N=N#N)(C)C,0.5457201171705288
+OCc1ccnc2c1cccc2,0.4316166571471294
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.11616410574449618
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.06379634078672212
+[O-][N+](=O)c1ccccc1C(F)(F)F,0.29363579373777915
+ClCCOCCCl,0.7185032960669663
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0.42543753321798566
+Oc1nncc2c1cccc2,0.0766800032893344
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.9591258090048865
+OC(=O)Cc1cccc2c1cccc2,0.4400456389006613
+COc1cccc(c1C(=O)N)OC,0.12496172786575858
+BrCc1ccccc1CBr,0.16636905671149968
+CCCC/C=C/C=O,0.7362992152123579
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.8918904243025421
+c1ccc2c(c1)c(ccc2)CC1CO1,0.9905197863735377
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,0.0865270761174759
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.16990372469755796
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.20228971297717843
+CC[P@](=S)(Sc1ccccc1)OCC,0.16531004831549972
+O(CC1OC1)CCOCC1OC1,0.9636434319312572
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.09445140548386087
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.21855082797223344
+Nc1ccccc1.Cl,0.8522792172601475
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.17831878364880765
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0.31944110880274207
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,0.4075146733571816
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.9578449129181205
+CN(/C=N/c1ccc(cc1C)Cl)C,0.29618503578199745
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.15184652544213031
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.9418808332313979
+N#CSCSC#N,0.19630631571385976
+O=C1c2ccccc2-c2c3c1cccc3ccc2,0.8557174624259526
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.27540980957846456
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.9335878153062489
+COc1c2ccccc2nc2c1cco2,0.8048640524303025
+CN(c1ccc(cc1)N)C,0.9332937353842921
+CC(CCOC(=O)C)C,0.18189832985052132
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9454148622354238
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.16622412975266188
+ClCC(=O)CCl,0.3301411759538767
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.07181225926499969
+O=C1CCC(N1C)c1cccnc1,0.059733272631728764
+NCC(=O)Nc1ccccc1,0.2821819346031521
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.18227558348505637
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.8817752741253094
+O=Cc1c(Cl)cccc1Cl,0.1174956134189862
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.9255905443963779
+Nc1ccc(cc1)c1ccc(cc1)N,0.9567676052638754
+N#Cc1ccc(cc1)C,0.09792328220069979
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,0.04432763383282411
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.9230619413661031
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.44132128945170285
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.8552414240895558
+O1C=CC2C(C=C1)O2,0.21265853541814392
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.7357220899518754
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9720566363949876
+NCCCN(CC)CC,0.0660978650636543
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9394058106840395
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0.27839853830511846
+ClCC=CCCl,0.7067230071526364
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.9248549955257538
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.08459032719704655
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.10861169145919546
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.1464568526821795
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0.08643866685763385
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.0865180026708998
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.5818020890857116
+CN1COCN(C1=N)Cc1cnc(s1)Cl,0.15915070091137948
+CC(COC(=O)C(=C)C)C,0.08756711456092785
+C=CC(=O)c1ccc2c(c1)OCO2,0.2002826639589472
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.6287604505150243
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,0.7008407383339208
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0.035930051349134365
+COCC=O,0.10401138852997559
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.2903735398591934
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.753541126834804
+OCCNC(=O)C(O)C,0.4059004151113128
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9735837410331454
+CCCCCN,0.05226524512577501
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8503464140736913
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.09711928826317935
+CNC(=O)Nc1ccc(cc1)Br,0.04071780478820714
+CC1(OC1)c1ccc(cc1)Cl,0.5275439423321292
+[O-][N+](=O)c1ccccc1[O-].[Na+],0.7850529872090708
+Cn1c(N)nc2c1cc1ccccc1n2,0.8103271148237864
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.11957064918261452
+FC(C(F)(F)F)(Cl)F,0.07346030490483856
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.652878749217851
+NC(C(=O)NCC(=O)O)CS,0.6648306930547686
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.2003015366572281
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.08644015065347142
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.3408479616042755
+CC[C@@H](NCCN[C@@H](CO)CC)CO,0.0790964496421353
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,0.9594907039271252
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.06483096859394655
+COc1ccccc1CC1CO1,0.942795857974798
+CN/N=N/C,0.673769891778922
+CC(OC1OC(=O)C(=C1Cl)Cl)C,0.8041552408958541
+Nc1ccc2c(c1)cns2,0.8500029792716344
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,0.9109913458699263
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.7381104435359465
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.9800801112182155
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.8949149504642846
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.6358632160796689
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.08643021472259624
+OC(=O)O.N,0.086448210581557
+O=C1NS(=O)(=O)c2c1cccc2C,0.1647395645831345
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.9769257717413963
+CN(C(=S)SNCCNSC(=S)N(C)C)C,0.20422034358676563
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.03494628652986794
+COc1nncc2c1cccn2,0.22837859027872026
+C1CC=C2C(C1)CCc1c2cccc1,0.2666091890747395
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7426370153444855
+CCl,0.18029805559510037
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,0.08645774938963709
+OC1=CC(=O)C1=O.[Na+],0.11179546198851022
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8833912036868172
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,0.0981983325658771
+OC(=O)CCCOc1ccc(cc1C)Cl,0.09485703999057099
+CC(=C)C=O,0.5808153103240139
+CCOS(=O)(=O)C,0.9065350243054919
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.948227393628367
+On1nnc2c1cccc2.O,0.08732789127770953
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.17069399433794155
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.867610754103272
+Clc1ccc(cc1)[S@](=O)C,0.08644831247367647
+Nc1ccccc1N,0.8601568782584245
+Nc1ccc(c(c1)Cl)C,0.35356862469510913
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.8488509713818787
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.2718378169989424
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9260973275822701
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0.12587049493106775
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0.08646552122891181
+COc1cc(N)cc(c1N)OC,0.887197398577541
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.9076835361032557
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.08303852457856857
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.9421377832932424
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3725941513091809
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.0877965339724246
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.2524287164193615
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.1283913942268727
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,0.9642718254787539
+COc1ccc(cc1)O,0.12950256569718469
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.9001603205136456
+CCSCCOP(=S)(OC)OC,0.13612132365984722
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.9249684894971301
+Cl[C@@H](C=C)CCl,0.5601770889280716
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.9341602667495515
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9168224556121146
+BrCC(CBr)Cl,0.8701998345131085
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.07969444144814568
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.2785003396067324
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.9395135755316047
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.08650725635421222
+O=C/C=C/c1ccccc1Cl,0.47296984180357027
+ClCC(=O)Nc1snc2c1cccc2,0.7889319700722401
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.21584546602660518
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,0.9107338415077861
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0.11839805814432695
+CCCN(C(=O)SCc1ccccc1)CCC,0.19537420577137193
+NCCNCCNCCNCCNCCN,0.17779602933706634
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.20434615971508766
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.10635735233370844
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.9491687803494052
+O=Nc1ccc(cc1)Nc1ccccc1,0.7806780097320564
+NNS(=O)(=O)c1ccc(cc1)C,0.1158114618064497
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0.08542559369811249
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9793858640417663
+Nc1ccc(c(c1)C)N,0.9612156022909831
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],0.4217779911288199
+OC(=O)Cc1ccc(cc1)N,0.6564976758562693
+ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9457329435147755
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.07585749672172676
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.92300024860774
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.8024377715569114
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9731932903614272
+ONc1cnc2c(c1C)nc1n2cccc1C,0.8834840728508021
+Oc1ccc(c(c1)Cl)Cl,0.03332931039505784
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.2131334555468705
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.9360614339684472
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.3745471957211255
+Nc1ccc2c(c1)nc1c(c2N)cccc1,0.9840157733470034
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.6759558885512191
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.08638563395480436
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.43620666650507806
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.15328658406455012
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.8482666593412921
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,0.0864494328416551
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.13002265029388574
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0.5440896231818197
+CC(C(CCl)Br)Br,0.9230477981967738
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6574026487844282
+c1ccc(cc1)/C=N/c1snc2c1cccc2,0.8615029914595261
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9635295355813221
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.18798082128259908
+CCOC(=O)NNc1nncc2c1cccc2.Cl,0.8994037549364591
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.9076607698500088
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9910733719576612
+c1ccc2c(c1)c1ccccc1c1c2cccc1,0.8352824796995836
+O=S1(=O)CCCCO1,0.8038878821298571
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.1738039729748702
+N/N=c/1\sc2c(n1C)cccc2,0.6643201882207513
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.2078808171876591
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.07701186267723112
+C=COCC(F)(F)F,0.15171220852850162
+O=C/C=C/c1ccc(cc1)N(C)C,0.8794070359735108
+Nc1sc2c(n1)C1CCCNC1CC2,0.3455495259856985
+[O-][N+](=O)c1ccccc1,0.941757255921794
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.9712903508219533
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0.08662137992118638
+CSCNc1ccccc1,0.3202513540986777
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.07380516774705795
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0.08501717530172913
+[O-][N+](=O)c1ccccc1Br,0.7877981818681471
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.43472199779895454
+N#CC(Cl)(Cl)Cl,0.12406304824059818
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.8072683632115535
+BrCC(=O)c1ccc(cc1)c1ccccc1,0.35129897317938225
+O1C[C@H]1c1ccc(cc1)c1ccccc1,0.8756844235235293
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.028448051023435898
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9229835330392338
+COc1cc(cc(c1O)OC)C(=O)C,0.14925282585990574
+ClCc1ccccc1CCl,0.2201500039417136
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.5753469318508977
+COc1ccc(cc1C(C)(C)C)O,0.04031582718061052
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9481492520121974
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.979241340804068
+FC(OC(C(Cl)F)(F)F)F,0.16488746433178783
+CCC(c1ccc(cc1)O)(C)C,0.04660982712764067
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.8730466917902732
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.6465474417027356
+Clc1ccc(c(c1)Cl)N,0.6172796303031789
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9566024029339558
+O=Cc1ccccc1C,0.10802353140956704
+Cc1cc2cc3ccccc3cc2c2c1cccc2,0.9548033703879222
+ON(c1ccccc1)C(=O)C,0.801595177102557
+Oc1ccc(cc1)[N+](=O)[O-],0.9160901307291353
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.6978558544388619
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,0.47357797321478967
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.7418081342238574
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.08648311671263408
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.07255220418544925
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,0.7455346421672583
+N[C@@H]1C[C@H]1c1ccccc1,0.11974221030801076
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.8806274358442859
+OCC(Cl)(Cl)Cl,0.15253281281334743
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.8622821255410907
+[O-][N+](=O)NC(=N)NC,0.26641869692579806
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.9065855210967357
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.8307754789587326
+CN(C(=O)Cl)C,0.13772537653204348
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.6707644617417131
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.46149719632421243
+CC/C=C/C=C/C=C/C=C/C=C/OC,0.7887578499424771
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9719655597984532
+Oc1c2ccccc2cc2c1ccc(c2O)O,0.6536562459808569
+COC(=O)C1=C(CC)C(OC1=O)C,0.1984021481013726
+CN1C=CN(C1/C=N/O)CCOCC#C,0.18149874502390792
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0.03144721762861119
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.17783309961505867
+O=Nc1ccc2c(c1)cccc2,0.9772288192481596
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.9230966720852916
+COP(=O)(O)O,0.11745130165846593
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.08643002959151451
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9328899206473941
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0.10226585607941979
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.4564530427553348
+CCCCOC(=O)C,0.15551504292211957
+CN=NO,0.9119672651141891
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.905217700791092
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,0.5613202771745038
+[N-]=[N+]=NC[C@@H](CO)O,0.7462234980445509
+NNc1nncc2c1ccnc2,0.7422750439860063
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.0965327212054879
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.12634637037551597
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.9860496742843797
+Clc1cccc2c1oc1c2cccc1,0.4547104798799907
+COP(=O)(SC)OC,0.20298324855076802
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0.06385044790475945
+COP(=O)OC,0.15111896443867928
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.8285710205717974
+C[n+]1c2ccccc2nc2c1cccc2,0.933738541117833
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0.07951086330366947
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.6295440981213257
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.2138643506272081
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.8780917139326538
+Cn1c(N)nc2c1cc1cnccc1n2,0.5
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.3621843211039922
+C1CCC[C@H]2[C@@H](CC1)O2,0.0789190757071708
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.05321848665180261
+Cl[C@@H](C(F)(F)F)Br,0.15258987505434865
+Nn1nnc2-c(c1O)nc1c2cccc1,0.7008343292246487
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.20292247151733273
+NCN,0.18029805559510037
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,0.6867407341007404
+Nc1ccc2c(c1)cccn2,0.9614482953792246
+ClC(=C)C=O,0.9306247966724595
+CC(=O)Nc1ccccc1C,0.11764230984208594
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.08389391576994341
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.8509546756719318
+CSC(/C=N/O)(C)C,0.08647117001944883
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.17461082695791416
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0.02320951000660435
+CNC(=O)Oc1ccccc1,0.3736240498220833
+ONC(=O)CNC(=O)c1ccccc1,0.4522329940055358
+C=CC(=O)NCCC[N+](C)(C)C,0.10887132422008078
+OC[C@H]1CCCO1,0.18765505254836728
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.19802935546190514
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],0.8964114562309771
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.937927655921528
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.2656906384155568
+OO[C@@H]1CCCc2c1cccc2,0.5822264589651579
+FC(Oc1ccc(cc1)N)(F)F,0.8468024486862751
+n1ccc(cc1)c1ccccn1,0.5311036183127705
+CC[n+]1c2ccccc2nc2c1cccc2,0.9201508739946331
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.09348262714029762
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9598968001393808
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0.13161585583344507
+[O-][N+](=O)c1cnc(n1C)C,0.9361971720862271
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.0640778097929057
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.09976682909638385
+CCCCOC(=O)c1cccc2c1nccc2,0.10896576062121223
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.06455323213537738
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.9574918805707053
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9156641955375474
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9836802096944802
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9230891943069831
+N[C@@H]1CC[C@H](CC1)N,0.12994506749391843
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,0.9260509459075876
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.03989234793259818
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9512798280733545
+Clc1ccc2c(c1)nc([nH]2)N,0.5451062008693401
+c1ccc2c(c1)c(OCC1CO1)ns2,0.9307414837842348
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0.28415984902926467
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.6035455806855761
+ClCc1ccc(cc1)[N+](=O)[O-],0.94825699138741
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0.08472728611018923
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.2495791196058925
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.1656468667275814
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.922954945377504
+CC(=C)C1CO1,0.6919540057720452
+Cc1ccc(c2c1ccc1c2cccc1)C,0.9360132296182679
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.9810912837902221
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.20972547865265542
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.878224711236354
+OC(=O)c1ccccc1Cl,0.04161670649160282
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,0.6468461639132661
+OC[C@H](CN(C[C@H](O)C)N=O)O,0.8992678950125071
+ONc1ccc(c(c1)Cl)Cl,0.5653744412061228
+Ic1cccc(c1)[N+](=O)[O-],0.7273085792793578
+C=CC(=O)OCCN(C)C,0.14371672988475653
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.8770568910847043
+COCCN(c1c(C)cccc1C)C(=O)CCl,0.2816353893400352
+CNC(=O)Nc1cccc(c1)C(F)(F)F,0.03477248801195142
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,0.9499768368687689
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],0.7194997537088067
+C[C@H](C(=O)N)Br,0.8608021671391215
+BrCC(=O)c1cccc(c1)OC,0.21488306785296635
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.19514726074931554
+ON(c1ccc(cc1)Cl)C(=O)C,0.6140610519567634
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.14671034040932032
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.9230343098613235
+CCc1cc(cc(c1N)CC)c1ccccc1,0.7067678569812468
+C[N+](Cc1ccccc1)(C)C,0.08474472248555213
+c1ccc(cc1)N/N=N/c1ccccc1,0.9083727571057987
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.8796028575038191
+Cc1ccc2c(-c3ccccc3C2C)c1,0.9244322365251658
+C1CCC2C(C1)c1ccccc1C1C2O1,0.08878397322141594
+ONc1ccccc1C,0.9281185224315329
+O1C[C@@H]1Cc1ccccc1,0.9479007956983343
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.08647793076879731
+O=Cc1ccc(cc1)C,0.11438610125276005
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.8352357821635018
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0.07776783933528356
+[O-][N+](=O)c1cc2ccccc2cc1C,0.9305445279724407
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,0.0864084699519452
+Nc1ccc2-c3c(Cc2c1)cccc3,0.974482823010428
+CCCCCCCCCCCCCC(=O)O,0.03248151198792522
+FC(c1ccccc1)(F)F,0.021705126747454787
+C=CCCC(C=O)CC,0.11602006976922956
+CC(=O)ON(c1ccccc1C)C(=O)C,0.6414117631151677
+OC1CC[N+](CC1)(C)C.[Cl-],0.09195647891972782
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.9034398120421993
+NC(=O)OC1CO1,0.7522820436730809
+O=NN1CCC=CC1,0.9019097325026451
+CC[S@@](=O)CCSP(=O)(OC)OC,0.57622515337669
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.8617203034834847
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.083421119270294
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.21189906864166258
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.35360140260974476
+Oc1ccc(cc1)Cc1ccccc1O,0.11699666088799392
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.4338606831967849
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.5333055339981988
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9170197086684706
+[O-][N+](=O)c1ccc2c(c1)cccc2,0.9762355209677767
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.9230314864069646
+Clc1cc(Cl)c(c(c1)Cl)Cl,0.016388133619970966
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9672772673360094
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,0.9230774573579109
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.07222798850507765
+ClCCOC(=O)C=C,0.42091607871829495
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0.1690715014283554
+ON=C,0.2725316469512193
+CCN=[N+](C)[O-],0.18030474945530955
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.8729099714610075
+O=c1cn[nH]c(=O)[nH]1.NCCO,0.5919694056848658
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0.12817641617257777
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9059560710892942
+CCCN(N=O)CCC,0.9692443703058535
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.9450620269022556
+CCC(=O)C=C,0.20964825607712664
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.8074752069138437
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0.08661818778767365
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.09988166265923785
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.9314453856792585
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9292995441764746
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.10245813936002161
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.9230597565037186
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0.07854537293396865
+CN(/N=N/c1ccc(cc1)Br)C,0.869867857120869
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],0.9567499134432855
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.3736418053222707
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0.8569032876673449
+OC1=CC(=O)C1=O,0.11185764537092219
+S=C=S,0.18029805559510037
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.9213627576293862
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.10287462871633317
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.9192280229367444
+C=CC(=C)Cl,0.4893093943060331
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9896541723693709
+CCCCCC(=O)OCC,0.04068367500555227
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9164472386888007
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.7724731397950388
+OCc1ccc(cc1N)[N+](=O)[O-],0.9450477809281655
+c1ccc2-c3ncsc3CCc2n1,0.6815642365836001
+CC(OC(=O)C)C,0.20589746834941736
+CCCCCCCCCC(=O)O,0.03248151198792522
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0.0297536322469838
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.9370207965122619
+CC(OC(=O)CC(=O)OC(C)C)C,0.08787399569870788
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,0.8710267145215309
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.9810769023210977
+COc1ccc(cc1N)[N+](=O)[O-],0.9927177923061686
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8259573082759816
+Nc1cc(Cl)c(c(c1)Cl)Cl,0.10708800696186735
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.08643723237882732
+CCOC(=O)CNC(=O)CBr,0.3858080304763276
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.9922888240181017
+CCNC(=S)NCC,0.16901568234557882
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.9466863785041373
+Cn1c(N)nc2c1cccc2,0.8922387439479357
+CC(NC(=O)Nc1ccccc1)C,0.07186451761934504
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,0.8408900311006313
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.6795981537946563
+SCCc1cnccn1,0.12011752329213476
+NNC(=O)N,0.22356736806611427
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9230597565037186
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.27575970391057264
+NC(C(=O)O)C(C)C,0.14363377848986178
+C1C[N@@]2CC[N@]1CC2,0.08642679402382976
+OC(=O)c1cccc(c1)C(F)(F)F,0.01288051051264965
+NC(=O)C1CO1,0.8735195481626984
+CCN(CC)N,0.20623420101677598
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.9922954385253724
+Oc1cc(=O)[nH]c(n1)N,0.06919150443277691
+C1C2SCC=CN2C1=O,0.22501547261036636
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.41000801710843826
+CCC(=O)Nc1snc2c1cccc2,0.12106171615281053
+Clc1nncc2c1cccc2,0.13588740164210372
+OC(=O)C1(N)CCCC1,0.05971157103466313
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.0863954669103615
+S=C=NCCc1ccccc1,0.12454604484222714
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.08641930630614898
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.3855911806832287
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.08647997435944604
+CCC(OC)(C)C,0.10339337268403484
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,0.8973799383409308
+CSc1cc(SC)c(c(c1N)C)N,0.6354868493640974
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.93314629679844
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.08648191419196655
+N#[N+]c1nc[nH]c1C(=O)N,0.2651592556980223
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.0826149510891769
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.923052421899553
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.5508863546668862
+O=C([C@]1(C)OC1)Nc1ccccc1,0.7121912885698122
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.9803747982831887
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.7670349052847861
+COc1ccc(cc1)N,0.9232584491950121
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.14217500633202612
+OC(=O)C1CC(N(C1(C)C)O)(C)C,0.08638998370486911
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.09743177312084184
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8975097704903469
+OC(=O)c1cccc(c1)[N+](=O)[O-],0.9286434692938544
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.5071471634744231
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.1596239164931358
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.6720169906266844
+O=C1C=CC(=O)N1,0.2796671042995931
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,0.1435873082226562
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0.055902898563877694
+CCCCCCCCCCCCCO,0.044922817030499045
+CCOc1ccc(cc1)NO,0.7849976942965491
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.8762330502254833
+O=Nc1ccc2-c3c(Cc2c1)cccc3,0.9590874570225916
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,0.6407111257090551
+CCCCCCCCCC,0.028971108848428666
+Ic1cc(Cl)c2c(c1O)nccc2,0.34374182028628203
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.08646332060678363
+c1ccc(cc1)c1ccccc1c1ccccc1,0.9161025011540992
+Cc1ccc2c(n1)cccc2,0.4876762953547881
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.15097612936272956
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.5744812640664428
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.1565454269173122
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.08643754027290386
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,0.619839083540715
+c1cc2ccc3c4c2c(n1)ccc4ccc3,0.9150389641610596
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.08325949157896106
+O=Cc1cccnc1,0.08493120653999638
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.6821829294162864
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.9303995700989142
+O=CCCN(C(=O)OCC)N=O,0.8805039102113583
+O=Nc1cc2OCOc2cc1O,0.338513657873353
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.48940257214445243
+CC(=O)c1cccc(c1)[N+](=O)[O-],0.857527846362177
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0.1499532798255592
+OC/C=C/Cl,0.4603724543656483
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.08499321591812402
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.13945035350492888
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9689782093949968
+COc1ccc2c(c1)sc(n2)N,0.7035905518068187
+Nc1ncn[nH]1,0.08979344895730516
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.2475708314790462
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9069988024160553
+BrCC1=C(Br)C(=O)OC1O,0.8827460226257271
+O=NN(CC(=O)C)CC(=O)C,0.9073444262877756
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9826382542680593
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0.24620740820339201
+CC(CO)Cl,0.6751735811923063
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],0.8499192406499322
+COC(=O)CCCC(=O)OC,0.10215352918016228
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.9259889283920368
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.11199052442187338
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,0.7147259754069198
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.23590849046598938
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,0.8219630949925896
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.8253423919949551
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.09127800798498761
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,0.6244617296764855
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.9260503097567162
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.2155102744878541
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.88096919155721
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,0.9212508691124647
+CN(C(=O)OCC)N=O,0.9638440187467295
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.07283140058463956
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.8509307796324702
+CC12CCC(C2(C)C)CC1(C)O,0.05773966901132912
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.9028023046174944
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.8592774682811694
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.1427859063172493
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9409100981075025
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.8644983421159748
+Brc1cccc(c1)c1ccccc1,0.3549868156438858
+O=C1c2cc3ccccc3cc2-c2c1cccc2,0.8124521258327656
+Nc1cc2nc3ccccc3nc2cc1N,0.9617157670532692
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.8798778688728014
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.053022980237003955
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.45811019090032573
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.8770330486448059
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.9374974902355884
+Clc1ccc(c(c1)[N+](=O)[O-])C,0.6500085950853057
+Fc1c[nH]c(=O)[nH]c1=O,0.07784353768776413
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.5545514376668943
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9769715141757483
+Cl[C@H]1O[C@H]1CBr,0.8176422271818387
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.8136658601035784
+OCC(C(C(C1SCCN1N=O)O)O)O,0.7348519172360116
+[O-][N+](=O)[CH-]CCCC,0.09134677121122886
+[O-][N+](=O)CCC(=O)O,0.2089822404919911
+CCC/N=N/O.[K+],0.7291942554409001
+[O-][N+](=O)CCC,0.2013337312842798
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.8067906303251756
+CC1(OC1)c1ccccc1,0.722932918567213
+COC(=O)c1ccc(cc1)C(=O)OC,0.03538972974305859
+CCSC(=O)N1CCCCCC1,0.11295238440572379
+CC1(C)C2CCC3(C1C2)CO3,0.08984156383874052
+OC(=O)C(Cl)(Cl)Cl,0.11343862657460727
+ClCC(CCl)(CCl)CCl,0.6669208421529264
+c1ccc2c(c1)[nH]cn2,0.46048509685778133
+Nc1ncnc2c1ncn2C,0.8688517148201497
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.25833137700234404
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.38572746989660694
+CCCCCON=O,0.766552410935123
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.7732752989004167
+CC(OC(Cl)(C)C)(Cl)C,0.21657725696210747
+CN(c1ccc(cc1)N(C)C)C,0.755889453829605
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,0.6747980795430666
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.9773650909708798
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.33102511412651076
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.9133754591738197
+O=NN(C(=O)c1ccccc1)C,0.9171232323735157
+O=C(C(Br)(C)C)Nc1ccccc1,0.19785660681527398
+Nc1[nH]nc(n1)N,0.11320176802257911
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],0.9658367309713902
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.10792001773090548
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.9457612817341637
+O=NN(CCCC(=O)c1cccnc1)C,0.8233302385454749
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.7156700702274525
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.128796027770189
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0.7960397677726617
+O=C/C(=C/c1ccccc1)/C,0.37394236977673406
+C1CCCC1,0.08700327716959955
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0.16587487288170905
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,0.6729823099738157
+Nc1ccccc1SCSc1ccccc1N,0.8735286146147729
+[N-]=[N+]=NC[C@H](C(=O)O)N,0.8496753298734676
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.6458958049157209
+CCNN=NCC,0.8373784894501084
+CCCSC(=O)Cl,0.12498092676269797
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.8644427832747426
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.6837724840859212
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.23055412798141575
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.9646549175075934
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.09844221652356107
+CN(CC[C@@H](N(C)C)C)C,0.12095261935357346
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,0.8530235068295638
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0.04842579473811065
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.030086529307141237
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0.30126203523413064
+CCCO,0.09349789839776557
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.3510397566572171
+O=C(n1cncc1)n1cncc1,0.13975272151678073
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0.08981466457195014
+C=C[C@H](c1ccc2c(c1)OCO2)O,0.14357170504902883
+c1ccc(cc1)Cc1ccccc1OCC1CO1,0.9211898096733312
+CCOCCOC(=O)C,0.257000208707141
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.916693479166152
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.921212805670587
+COP(=O)(OC=C(Cl)Cl)OC,0.28460956782748703
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.6460017147474719
+COC(=O)C(CSCCCl)N,0.8896132938204963
+OCc1ccccc1[N+](=O)[O-],0.3774322181305525
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6034359942765968
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.9457547732366642
+OC(=O)c1ccc(c2c1snn2)O,0.12220686137911527
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9546656310378736
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.629774456875662
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.4806365619566753
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.18078944594449547
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.8819145157454551
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,0.05185648855557277
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,0.5556680819310812
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.18262688426481993
+Cc1cc2cccnc2c(c1)C(=O)O,0.2571098386722467
+C=CCOc1ccccc1OCC(CNC(C)C)O,0.03954454951450212
+COC(=O)Nc1nc2c([nH]1)cccc2,0.18919242139314102
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.6750950361679178
+Clc1cc(Cl)c2c(c1)c(N)sn2,0.36176471599149623
+CN(N=O)CC,0.9715978600608628
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,0.2250228865101119
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.942878590934785
+CC(CC1NC(=O)CNC1=O)C,0.0897404165232826
+N#N=NCC(C(C(C(CO)O)O)O)O,0.9350048821274743
+S=c1ssc(c1C)c1cnccn1,0.21171543693077313
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.22472320993100522
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.2084267455854209
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.1652795930884675
+Nc1nc2c(s1)cccc2,0.37167041854102595
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.9208745120977562
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,0.9286379495815125
+COc1ccc(cc1)[N+](=O)[O-],0.899767111064831
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.21111538149407055
+C=CC(=O)N1CCN(CC1)c1ccccc1,0.4314528133358792
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8309751604084783
+Oc1ncc(cc1N)c1ccncc1,0.4841139586357455
+CN1CCC(=CC1)c1ccccc1,0.16970630497208483
+Clc1cccc(c1NC1=NCCN1)Cl,0.22993679934175246
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.8592949364766754
+OCCBr,0.8447356635833811
+[O-][N+](=O)c1ccc(c(c1)C)N,0.9796292158650113
+CCOc1nc(NC(=O)N)nc(n1)NC,0.16280695120112249
+CC(=O)Cl,0.6778276979287085
+OC(C1CO1)CO,0.8305958699680368
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.9212155486855408
+OC(=O)c1ccccc1C,0.09881615915656823
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.948328829752474
+Clc1nnc(c(c1)O)c1ccccc1,0.11124232362734458
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.6357230494096275
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.8234889024893667
+OCc1ccc(cc1)Cl,0.07099000567124433
+CCC(C(=O)NC(=O)N)(CC)Br,0.16526256984754695
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.9423325983745968
+Clc1ccc(c(c1)Cl)C(=O)Cl,0.8141374677156047
+COc1ccc(c(c1)OC)N.Cl,0.9324606911137561
+Clc1c2ccccc2cc2c1cccc2,0.7742959416421913
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,0.08983923311542617
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.7931519969408186
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,0.719820486561185
+Nc1ccc2c(n1)[nH]c1c2cccc1,0.9748338167796228
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.10076299376617183
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,0.9309124634533198
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.8652207059336838
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.6434180060399006
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.9636162737233248
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8801255931479836
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.15264544570136304
+COP(=S)(OC)Cl,0.1888729326324373
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.33767626349987684
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.07335414701493054
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.12181766047646052
+CC(Br)Br,0.17969749189872086
+ClSC(Cl)(Cl)Cl,0.3000469510706128
+O=NOC(C)(C)C,0.641207036451662
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9477751036851295
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.12243392222544673
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.08677336658639737
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.08983370904944002
+ONc1ccc2c(c1)cccc2,0.9487528575655322
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.873177599019991
+NC(=S)NCC=C,0.18659676085330057
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,0.8652595028602122
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.0897193240126876
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.25560353393212526
+[O-][N+](=O)c1ccccc1Nc1ccccc1,0.8309325440923678
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9643651764445922
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6862416774491857
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.08974463029693715
+C[C@H]1CCOS(=O)(=O)O1,0.7717715790168135
+OOC(C)(C)C,0.556562654770727
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.8538978529595685
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.9211711115910396
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.9219478933338723
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9254313604968801
+COc1cc(N)c(cc1N)OC,0.7639700260721362
+Cl[Si](Cl)(Cl)Cl,0.18723097111290612
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,0.4137127060845255
+ClC(=C1C=CC(=O)O1)Cl,0.3385882017403656
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.9211484080221528
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.7287167472624821
+C[C@H](CBr)O,0.7364593881578222
+CCCCN1C2C1c1ccccc1-c1c2cccc1,0.940320223096682
+CCC(=C)C=O,0.633938798827843
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.09056164285699556
+CNC(=O)O/N=C\C(SC)(C)C,0.08977169261133794
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0.29646334377248507
+O=C(C(=O)c1ccccc1)c1ccccc1,0.16432920973455006
+Clc1ccccn1,0.08203676083933113
+Cc1ccc(cc1)/N=N/N(C)C,0.9212087318323978
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.024407864581003774
+CC(C1=CC(=O)C(=CC1=O)C)C,0.11121702586947875
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],0.15045943954906585
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.8227941151162435
+OCCCBr,0.7917739097160372
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.9211079678742263
+ClC(C(=O)C(Cl)Cl)Cl,0.6858661459978488
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9378786832898774
+O=NN1CCC[C@@H](C1)C,0.9217411730412863
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.15019081057345848
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.5143305578804229
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0.08967905353006979
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.20954586889780505
+[O-][N+](=O)c1ccccc1O,0.6071962279198976
+ClCCP(=O)(O)O,0.5497442047502283
+CCC(Nc1snc2c1cccc2)C,0.09643765331480898
+COP(=S)(SCC(=O)N(C=O)C)OC,0.2993080309412266
+CC(=O)c1ccncc1,0.09552543156774303
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.6801000886171273
+c1coc(c1)c1nc2c([nH]1)cccc2,0.48430345515570916
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.1326354936585091
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0.5382261403536552
+ClC1=C(Cl)C(=O)OC1,0.8431001708347765
+O=C1C=C(O)C(=O)c2c1cccc2,0.873424065123672
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0.27650933781239306
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.9567606789352159
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.8131732140667917
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0.4371748621970955
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,0.7078296214118655
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,0.9211976495439037
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.954261764810857
+O=NN(COC(=O)C)C,0.959418713970321
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.7984235204052502
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.26546028259604226
+Nc1cccc2c1nccc2,0.9001298767185703
+COc1c2OCOc2cc2c1nc1occc1c2OC,0.7079070818763246
+CCN(C#N)N=O,0.7980412304055732
+Oc1ccc(cc1)c1ccc(cc1)O,0.4382208945978561
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0.0437932329056828
+S=C(Nc1ccccc1)Nc1ccccc1,0.1212882007701518
+NC(=O)c1ccccc1,0.16718717871426372
+O(Cc1ccccc1)CC1OC1,0.9252145359362894
+Clc1ccc2c(c1)nc([nH]2)C,0.2625345016686716
+[O-][N+](=O)c1ccc(c(c1)N)C,0.9901220781609951
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.9151556057396337
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.2794924313381835
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,0.08981579015709243
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.08974095908366045
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.9099921391792553
+Cc1ccc(c(c1)O)N,0.7339593719387715
+O=NN(Cc1ccccc1)C,0.9673327506635706
+N#CC(O)(C)C,0.1416899586578601
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.7371655824279401
+CC(=O)NNc1ccccc1,0.776243703277694
+COc1nsc2c1cc(N)cc2,0.9010162537743427
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.49303916268111797
+Cc1cc(C)nc(n1)Nc1ccccc1,0.11593640767481704
+Cn1cccc1,0.14149047449757682
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.08982499974187033
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.8951565889665969
+NC1CCCC(C1)N,0.07254750963366814
+BrCc1c2ccccc2c(c2c1cccc2)C,0.8059646295277526
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.7513215648903935
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.2080123680792587
+C1CC2OC2CCC2C1O2,0.12939043042443213
+Cn1c(O)nc(nc1=O)NC(C)(C)C,0.2044173087137789
+O=NN(C(=O)c1c(NC)ncn1C)C,0.9046203839631476
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.8161884308522523
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.2499852273752784
+CCCSSCC=C,0.17582448957893143
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.6214950281020103
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0.11220614660376736
+CCCCN(CCO)N=O,0.9680730481541648
+CCOP(=S)(SCCl)OCC,0.12950937856351682
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.12037463068742524
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.08969124805927407
+NC(=O)/N=N/C(=O)N,0.18366414013031065
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.8924025710392237
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.7807378540207351
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.8285620234437483
+CCCOS(=O)(=O)C,0.925027311977829
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.6821639972492219
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9211490029601348
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.08975853359590927
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9211931576123196
+COc1cccc(c1)/C=C/c1ccc(cc1)N,0.9086274756509419
+c1cc2ccc3c4c2c(c1)ccc4cnc3,0.7611107299674515
+O=c1c2cccc3c2c2c1cccc2cc3,0.7700434197939798
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.09731359189174246
+FC(Br)(Cl)F,0.21657725696210747
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.06049526046271283
+ClCC(=O)c1ccc(cc1)NC(=O)C,0.6140861970703346
+CNc1nc(OCC(F)(F)F)nc(n1)N,0.09396640557395677
+BrC(=C)C(=O)O,0.42021891424887486
+Cc1ccc(c(c1)O)C(C)C,0.09687672710368507
+O=NN1CCCC[C@H]1C,0.8859292523394969
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.19244003638480311
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.5185083646072487
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.16438443975267203
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9540778610878904
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.13590641521793362
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.9239143467998159
+Cc1cccc(c1)C(=O)Cl,0.8535803034092323
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.052946434767351266
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.8570181434680567
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.05488720559955766
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.9326595345212646
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.11375157872200119
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.9517097610103116
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0.10024670413533265
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],0.8256138459873554
+CCCCOP(=O)(Oc1ccccc1)OCCCC,0.1214345070492428
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.9382833080652773
+COc1nncc2c1ccnc2,0.08437341105060428
+CCC(=O)C,0.10811475209583779
+CC(=O)CCC(=O)C,0.0604629946673197
+CCN=[N+](CC)[O-],0.08982169159451046
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.7710162324128645
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.8546077765724326
+O=NN1CCNCC1,0.9501480993587661
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.2870925344364295
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,0.9139499246769909
+COc1nc(C)nc(n1)N,0.10135185136337893
+CNC,0.13359495811126998
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.05136783866026676
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.31981330386388857
+O=NN1CC[C@H](C1)O,0.9473440371762254
+Clc1ccc(cc1)C(=O)Cl,0.8627427794320001
+Nc1ncnc2c1nc[nH]2,0.7157035152236476
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.07746462151315935
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9818630324415965
+Nc1ccc(cc1)/C=C/c1ccccc1,0.9304778501549102
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.5855073444646735
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.5982215791820092
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.29356193471875947
+Oc1ccccc1/C=N/c1snc2c1cccc2,0.8160119257944397
+C=CCc1ccc(c(c1)OC)OC,0.06723399595478838
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,0.848893421959893
+N1CCN(CC1)c1ccccc1,0.46563062426496415
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.2593401333022849
+NC(=O)N,0.1685241480616814
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.6762518640751621
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9504347247864179
+CCCCN(CC)CC,0.06100277397757671
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.9662280718560724
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.0896857136465898
+CCCCNCCCC,0.06788453539900702
+OC(=O)CCC(=O)O.[Na+].[Na+],0.05027479878454061
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,0.1580334137562373
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7036386063006624
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.06241919538940801
+COc1ccc(cc1)CC[C@@H]1OC1,0.9212018610266054
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.8518339140113543
+O=Nc1c(CC)cccc1CC,0.3337471120556575
+Cc1ccc2c(c1)c(N)sn2,0.5964708718019247
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,0.1704931532904973
+ClCCN(CCCl)C,0.8362693187473458
+O=NN1CCNC1=O,0.9571452371862302
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9633609672532955
+CCn1c2ccc(cc2c2c1cccc2)N,0.9695125036151794
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.08975108200634618
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.08974659152713137
+CCOC(=O)CC(=O)CCl,0.2474091034480518
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.08981441938029744
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.9602567799932767
+Cc1ccnc2c1cccc2,0.38405558721253513
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9620795758959582
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.3509124423482695
+CCOC(=O)c1cccc2c1nccc2,0.15691014441978948
+OCC(Cl)Cl,0.11556770596620464
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.24017985009073511
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.8622342692616802
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.8645021855590586
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.09776888413675422
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.8481682355672798
+CC(=O)Oc1ccccc1C(=O)O,0.04245421397869181
+CC(=O)OCN([N+](=O)[O-])C,0.6897423405520461
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.6796578918144556
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.06133710246377138
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9377157946530265
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,0.7884558229312775
+CCn1c(N)nc2c1ccc1c2cccn1,0.9493256473124221
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.31570309081099746
+Cc1ccc(o1)C,0.1289078307916165
+COC(=O)c1ccccc1C(=O)OC,0.06342272590203372
+NC(=O)c1ccccc1C,0.11879796129859208
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.08976639124019503
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.914679356741777
+COC(=O)N,0.478204741768935
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9866010930260498
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,0.8549396219093245
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9212341392117114
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.3922967909171547
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.7341156050072901
+O1CCN(CC1)SSN1CCOCC1,0.1322299598155212
+CC1CCC2CC1C2(C)C,0.1397486629801865
+NNc1nncc2c1cccc2,0.926117920995508
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.9025900073939683
+ONc1cccc(c1C)C,0.8666670128895587
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,0.6591873329188188
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,0.08549822367755666
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.6848541257670778
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.1326506996910202
+C/N=N/O,0.8937837980829842
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.9212069690865207
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.6264839752353
+ClCC1=C(Cl)C(=O)OC1O,0.9592972967812672
+CC(=O)/C=C/c1ccco1,0.1560648170315156
+CCCCOB(OCCCC)OCCCC,0.14303845080457253
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.9614774001107103
+NC(=O)O[C@H]1CO1,0.7703081698362019
+Oc1ccnc(n1)O,0.11793588417506747
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.8918863721060808
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.11499729184944098
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,0.06012773095599067
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.06484318828953646
+NNc1nnc(c2c1cccc2)NN,0.9303099595184768
+c1ccc2c(c1)c1ccccc1cc2,0.9072882712125068
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8112795927457034
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.10465484447897283
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.7085966628179895
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.9108047222249828
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3[N@]4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.08981145139627192
+CN=C=S,0.252251336556067
+Clc1ccc(c(c1)C(=O)O)O,0.05949010698872121
+CCCCBr,0.6965449412671442
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,0.9581803675453102
+OC(=O)c1ccccc1N,0.3571658219814371
+CC(=O)CCOOCCC(=O)C,0.06607967062103307
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.11076580818284186
+NCCc1c[nH]c2c1cccc2,0.19651194567094185
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9211788082841211
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,0.6490880727822499
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0.2035366419259357
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.06079560336501887
+Nc1cn[nH]c(=O)c1Cl,0.1691315575961156
+c1ccc(cc1)/N=N/c1ccccc1,0.7342110735629856
+CCc1ccc(cc1)C,0.060568572070501356
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.09355928850281718
+Nc1ccc2c(c1)nc1c(c2)cccc1,0.9811034591631804
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9357863601134625
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[N@@]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.1208504286119451
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.9001937137126186
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.17132732664950243
+Nc1ccc2c(c1)oc(=O)cc2C,0.5161370880726334
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.08797634936797269
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.08977742632252504
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,0.9909602017477201
+Cc1cccc2c1cc1ccccc1c2,0.9206543730580574
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.9262922144690051
+C[C@H]1CS1,0.08978052085357219
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.921249352138793
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.032190759745547685
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.7791992082874993
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.8922866747389989
+BrCC(CBr)Br,0.8697499617210533
+Nc1sc2c(n1)cc(c(c2)C)C,0.35227259546883677
+C[N+](CC1OC1)(C)C,0.8249208202316808
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.967991485508183
+Cc1c(C)cccc1O,0.10611520741081115
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6465986432597404
+FC(I)(F)F,0.20208004418065909
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.23890347406645884
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.98434769141435
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.9064632690232848
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.05937612592402837
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0.10617171922265851
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.10182527524663033
+CCCCN(COC(=O)C)N=O,0.9231973678363358
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,0.061219116145960206
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.8826195719712039
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0.08976629368908318
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.30925000227511645
+CS(=O)C,0.22355946350947406
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.8983848399472744
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.8511736382619448
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0.11400049826385947
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,0.4336632762686539
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.09275208748685532
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8235704292591268
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9906826243173453
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.9071123418957316
+CCCNc1snc2c1cccc2,0.09700070048635089
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.11249833338355462
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,0.20047892131246117
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,0.10042328201527087
+c1ccc(cc1)c1ccccc1,0.6007046345506033
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.9414985165432094
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.06066295399221193
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9822367664096354
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.2860333762870747
+ClC1OC1CBr,0.8176422271818387
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.9374721340245689
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.0897394979654037
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.0897671836971281
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.8352522855954826
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9932971277132423
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.6605257724085993
+CC(=O)OCc1c2ccccc2cc2c1cccc2,0.9391649609226296
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.6470218848826289
+Oc1nc2c(o1)cccc2,0.21618821147919956
+O1COCOC1,0.1315349008035802
+c1ccc(cc1)Nc1cccc2c1cccc2,0.6509536151727343
+Nc1ccc(cc1)Cc1ccc(cc1)N,0.8689822915742728
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.08984188154023788
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6877886224743618
+CCN(N(N=O)O)CC,0.3940501748761772
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9188375152251415
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.10182363065709503
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.46432089318476844
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.9826100471016099
+CC(=O)NC(C(=O)O)CSCCCl,0.9211908255963629
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.13905868791846715
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0.08982409415229947
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.7818254090839496
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,0.6101234796211723
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.6520346029967657
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.7389274060310068
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.8227011816918182
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,0.9066775867577137
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.3027941418528356
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0.07601461957483795
+OCCN=N#N,0.9446533986341522
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.08981909079638505
+CCCCC#N,0.0575658080287201
+CC12OOC2(C)Oc2c1ccc1c2nccc1,0.8842802944459693
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.16368743040871916
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.10292859389149882
+Oc1ccccc1c1ccccc1,0.7040951084601242
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.11616569063026788
+c1ccc2c(c1)ccc1c2nccc1,0.896404880533715
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9786804104840903
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,0.10073863048373635
+O=CN(C)C,0.1467726357141521
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.9061409734455474
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.1042005071264688
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.07706025743910673
+BrCc1ccccc1,0.0792307152752583
+CNc1ccc(cc1)[N+](=O)[O-],0.9562907389783615
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.10991447619070834
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0.18526284253859482
+CC(c1ccccc1)CN=N#N,0.8759247600888564
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.2884325699782614
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9826672711593775
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.10291896858765334
+OCCI,0.2523103574680618
+O=NN(C)C,0.9680644708100443
+CC(CC(=O)Nc1ccc(cc1)O)O,0.11284052249772492
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.10034518669062752
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.935731550920172
+O=Nc1ccc(cc1)C(=O)C,0.7481034340266178
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.08966550270043015
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.9828843017501383
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9211118677253363
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.03489043053209981
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.08979892483084405
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.8332828064093386
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.10673636467583801
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.9625322087422696
+CCCC(C(=O)O)CCC,0.058300432182967515
+CCOC(=O)C=C,0.06676137489804318
+COC(=O)CC(=O)C,0.10353130295043378
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.08974906811365596
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.9487271940014461
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.08646824620537662
+Oc1nnc(c(n1)O)C,0.22168758407973893
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,0.08975750076309319
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,0.7099596576294808
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.8541311212960163
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.7048660536164358
+Cn1sc(cc1=O)Cl,0.41408093630145126
+NC(C(=O)O)Cc1ncn[nH]1,0.11770164595405005
+[CH2-][N+](=O)[O-],0.2294136944884158
+O=C1c2ccccc2-c2c1cccc2,0.6835693669414826
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,0.9211899680498691
+OC(C(=O)O)Cn1cncn1,0.06984748457496827
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5745645509622316
+CCCN(CCCC(=O)O)N=O,0.8776781808210445
+NNc1nncc2c1cccn2,0.8071353899705429
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.18215618911173337
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.367633355513981
+CCOC(=O)C(=C)C,0.0710959058993406
+C=CS(=O)(=O)C,0.23063874188777098
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.06430722110307034
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0.11954984852085326
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],0.9548087687672451
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8728887894221864
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.11744163361550315
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.6531038679931266
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.9211344586084952
+O=C(c1ccccc1)OOC(C)(C)C,0.09317506154411717
+O=c1cn[nH]c(=O)[nH]1,0.5752585279932496
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.6121673465670099
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,0.9211809803769725
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,0.8949277279640765
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.9621258628720715
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.1771578275699726
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.5
+Sc1nc2c([nH]1)cccc2,0.39228440912016327
+Clc1cc(N)c(c(c1)C(=O)O)Cl,0.13621813030932425
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.9422379585926514
+ONc1nc2[nH]c3c(c2cc1C)cccc3,0.9601457302656697
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.7119508013142543
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.8106207509043853
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.850334893890782
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.08001790395523675
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.7301799182048381
+Clc1ccc(cc1)Br,0.048879597122308216
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,0.5615955000362505
+c1nccs1,0.3993642961721067
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.27376518787503573
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9250259435725765
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.08976706879289119
+ONc1ccc(c(c1)[N+](=O)[O-])C,0.9663429312759698
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.10851077975143358
+OC(=O)CCCOc1ccc(cc1Cl)Cl,0.06682779064398361
+CCNc1nc(O)nc(n1)NC(C)(C)C,0.09482342002165282
+Cl/C=C\Cl,0.42065848422201657
+CC(=O)OO,0.2510101968996392
+CC(=C)c1ccccc1,0.2949425940389266
+COC(=O)c1csc(c1S(=O)(=O)N)C,0.08802781659274486
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0.8712619274233896
+O=C1C=CC(=N#N)C=C1,0.3136853962848042
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9244802798431726
+Nc1nc2c(n1C)ccc1c2nccc1,0.9303943712413713
+CNC(=O)C1=NN=C([CH]1)Br,0.3060537325864562
+O/N=C/C1N(CCCN(C)C)C=CN1C,0.11074803708764897
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.9160812762232416
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.34332166608205006
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.09091380450568379
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.9286384550500458
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.5222205450336391
+CC#N,0.12665725602745445
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.9807833211714297
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.9635541095828948
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8599944718759014
+O=CN(c1ccc(cc1)c1ccccc1)O,0.8400407228805797
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.9072882712125068
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.09484403384190172
+[O-][N+](=O)c1ccc2c(c1)cccc2C,0.9556155631428953
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.8491513818179731
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9689149807830486
+OC(=O)c1cccc(c1Cl)Cl,0.021674749262432198
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.08975866196908941
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.21831613795502852
+CCNc1snc2c1cccc2,0.14958665344418168
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.7984235204052502
+Clc1ccc(c(c1)N)O,0.28258817455565816
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0.19105059570172991
+O(Cc1ccccc1)Cc1ccccc1,0.1707559451520047
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.5769173353692706
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.09569368538016808
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.6468341041502682
+Clc1cccc(c1O)Cl,0.06618084151592206
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5149862648627498
+OCCO,0.14342042468809163
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.8433735733181517
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,0.13212483714236148
+BrCC(=O)NCc1ccccc1,0.3493927432344544
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.12464377933512646
+C1CC[C@H]2[C@@H](C1)O2,0.07342326367368378
+CC(C[C@H](N)C)C,0.08101569156549068
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.04278691508807445
+O=S1(=O)CCCC1,0.18810148428462653
+CC([N+](=O)[O-])(C)C,0.4198642708944073
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.98434769141435
+OC(=O)c1ccc(c(c1)Cl)Cl,0.00988189704036852
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.08757091656135069
+OC(CN=N#N)CN=N#N,0.9738030417051153
+Cc1ccc(c(c1)O)O,0.2545372742753226
+CCOc1cccc2c1nccc2,0.5133492198899431
+N#CCC[C@H](C#N)C,0.12772778645701902
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.10141952891719352
+[O-][N+](=O)c1cccc(c1N)N,0.9304527739035805
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.0880732910979667
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9199587794418143
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6182285730288506
+Cc1ccc2c(c1)cccc2,0.7273981959875484
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.9944912024071147
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.921222325544004
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.10467238958565271
+OC(=O)C1CSSC(C(=O)N1)(C)C,0.08976196689533714
+C[N+]1(C)CCOCC1,0.08017306133054121
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.978553532279023
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.8290932182062336
+Cc1cc(O)nc(n1)S,0.13103053797984895
+Nc1ccc(c(c1)N)N=Nc1ccccc1,0.9888013390734066
+CC(COS(=O)(=O)C)C,0.8405984998039988
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.9798367784508573
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.854728187831075
+CC([N+](=O)[O-])(Cl)Cl,0.45853250020697783
+O=c1[nH][nH]c2c1cccc2,0.18076315404216128
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.9053915889611248
+O=NN1CC(=O)NC1=O,0.8044264311289495
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.8946196034566597
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9693414145720788
+[O-][N+](=O)c1cccc2c1csn2,0.8559879243857721
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,0.9464155861124612
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.8637614241142769
+Nc1ccc2c(c1)c1ccccc1n2C,0.9840758047494558
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7946329271225752
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.34819199847044063
+CN(c1ccncc1)C,0.2953507593865307
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,0.9211730503183333
+C[n+]1ccc(cc1)c1ccccc1,0.6570638113203767
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.9595288193024472
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.45531260790761086
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,0.7235557652922349
+FC(Cl)(Cl)Cl,0.20208004418065909
+ClCC=C,0.648419509068879
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.9286625586768569
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],0.3800638068540175
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.8821453253789044
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.9212219283663433
+BrC(C=O)CBr,0.9211542552213137
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.9211904026648243
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.8740002559325243
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.9074273188657125
+Nc1cccc(c1)c1ccccc1,0.9508629951378642
+ClCC[N+](C)(C)C,0.46168935976606706
+OC/C(=C(/CO)\Br)/Br,0.2834129720275382
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,0.44584870535527726
+Br/C=C/Br,0.22151286073020293
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.1704483402517213
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,0.9422646782004802
+CN(N)C,0.20919698390494884
+COC(=O)C1OC1c1ccccc1,0.10855780456352476
+CCCCN=NC(OO)(C)C,0.723458909620846
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.9199723111820152
+OCC[C@H](CCC=C(C)C)C,0.06547878449296347
+CC(=O)n1cncc1,0.14816007734563377
+CCOP(=O)(OCC)OCC,0.11223550278824983
+C[C@@H]1CC[C@H](CC1)C(C)C,0.08390276074506726
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.9217323722290512
+ClCCN([P@]1(=O)NCCCO1)CCCl,0.9123621621316815
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.888772008570254
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9787943593963465
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.9571036173413582
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.4552723122269257
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.022673908237281853
+CCOc1snc(n1)C(Cl)(Cl)Cl,0.3323966855635496
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.11475669056172731
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,0.8086053921375793
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.3415553602688482
+Nc1ccccc1,0.8439642878441381
+O=CN(c1cccc(c1)Cl)O,0.25807512060414217
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.8970708955149266
+COc1ccc2c(c1)[nH]c1c2ccnc1C,0.8916223789699496
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.9568899446512236
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.14059170047012792
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.5117927198739299
+Cc1ncc2c(n1)CCC2,0.1597294168216527
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0.07863638612621786
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.792440571905542
+CC(C(=O)Nc1ccccc1)C,0.20921126907035367
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.7509664571889422
+Nc1cccc(c1)[N+](=O)[O-],0.9816973898119513
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.23769129108220846
+c1cc2Cc3c4c2c(c1)ccc4ccc3,0.6857689570482256
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.08980171280845817
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.8479147838316118
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.12127244243230836
+O=NN(Cc1cccc(c1)C(F)(F)F)C,0.6961314780898348
+COc1cc(ccc1OC)CC1CO1,0.9324511710590524
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9552133874318801
+CC(c1ccc(cc1)C(C)(C)C)O,0.04110557134343274
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.9054417706152909
+Cc1cccc2c1nccc2,0.7849352977724386
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.8918238176853469
+C/C=C/c1ccc(cc1)OC,0.118864567815936
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.08979083155251776
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,0.720808905316744
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0.15988739989815054
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.20252560559041075
+CCCCC/C(=C\c1ccccc1)/C=O,0.11944092300481679
+CN(C[C@@H](Cl)C)C,0.34352745680174945
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,0.7524843824407939
+C(Sc1ccccc1)CSc1ccccc1,0.21775123474867664
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.0898376063594841
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,0.33690086549945175
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.08974949373144832
+CCOC(=O)C(Br)C,0.6865898493221976
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,0.9238151512831705
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.45202491837840264
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.29546293284346087
+COc1ccc(cc1)OC,0.2041980303818041
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.41264080418406224
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9721312361888582
+ClCCNc1ccc(cc1)CCCC(=O)O,0.8201368238596727
+C[n+]1c2ccccc2c(c2c1cccc2)N,0.9526738677327588
+C=CC(=O)NCNC(=O)C=C,0.17515774505380707
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.3511215878071841
+C1CCOCO1,0.13975391473362545
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.902726279068672
+OC(C(Cl)(Cl)Cl)O,0.1699095459694278
+O1C2C1C1N=NC2C2C1O2,0.3180054661898014
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.0898154013273289
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,0.3937556931557212
+C/C=C\c1cc(OC)c(cc1OC)OC,0.2606813230570206
+ONC(=O)c1ccc2c(c1)cccc2,0.8301916666299989
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,0.09435667768207376
+Cc1cc(C)c(cc1C)C,0.1647370542359997
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.2717415716235802
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.8919836374505102
+Nc1ccc(cc1)CCc1ccc(cc1)N,0.8901223918234701
+C[C@H](CN(C[C@H](O)C)N=O)O,0.9333520031021127
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.9281334075465851
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.9698931394133329
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9322465131258337
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.08967905353006979
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.9688359531758146
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.319585025752571
+COC(=O)C1=C(C)C(OC1=O)(C)O,0.5230184195472408
+Brc1cc(Br)c(c(c1)Br)O,0.06249663073966273
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.9014115266487736
+CC1=CC(=O)C(=CC1=O)C,0.10176227825937646
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.7626888138985839
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8671744511158032
+COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.9015462006672709
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.06745772653837126
+ClCc1cnc(nc1Cl)Cl,0.12738950328623558
+O=CNc1ccccc1,0.3113842007146464
+O=C(Nc1ccc(cc1)O)CC(=O)C,0.07995861155786937
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.1945791450380537
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.9375976946593149
+OCCN(C(=O)N)N=O,0.9512059554066727
+Cc1ccc(cc1)OC[C@@H]1OC1,0.9632503702718884
+CCCC(=O)Nc1snc2c1cccc2,0.06365755539908632
+Cn1nc(c(c1)C(=O)O)C(F)F,0.09163489082737714
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.10461020390573952
+c1cc2cccc3c2c(c1)CC3,0.9012994416371924
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,0.873058595368323
+CN(c1ccccc1)C,0.736534183362398
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.9844900055766233
+Oc1cccc(c1C)O,0.21451260737928343
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,0.35409812213530906
+CCOCCOCCOCC,0.07255384596424667
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.08838056197208428
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.21214287633836984
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N@@]3[C@H]2[C@H](OC1=O)CC3,0.9217319495716638
+CCN(c1ccccc1)N,0.4243948453633351
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0.3359111398186719
+CN(N=O)CCCC,0.9698174225283968
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.681529376333451
+Nc1ccc(c(c1)C(=O)O)O,0.6306868163190769
+BrCCC(Br)Br,0.7614509786050156
+N#CCc1cn(c2c1cccc2)N=O,0.6606148486387705
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.9583290636802985
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0.13381668517821302
+OC(=O)Cc1ccc(cc1)Cl,0.05366247028370152
+ClCC(F)(F)F,0.5700571957092401
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9787919915867342
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.8854123291590904
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9217045826852979
+CO[P@](=O)(NC(=O)C)SC,0.08974249258251193
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,0.6740787879284771
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0.10801470339547294
+NC(=S)Nc1cccc2c1cccc2,0.38524874972380235
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.23823471669453986
+BrCC(=C)Br,0.5
+O=Nc1ccc(cc1)c1ccccc1,0.984579635428183
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.20274592445269132
+Oc1ccccc1c1ccccc1,0.4387267869484465
+N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8157239289798157
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.9203854496273262
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.768287902550906
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.6361250984096526
+CCc1ccc(nc1)C,0.0649197808939948
+Sc1ccc(cc1)[N+](=O)[O-],0.9159887849335796
+COC=C,0.38406087487461676
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.9700486717047911
+CCCCCCCCCCCC(=O)NCCO,0.1146990251578189
+O=NN(CC(=O)C)C[C@H](O)C,0.8315206681036016
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0.41509271320740676
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9217562396348951
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,0.959294768028348
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.922530493975511
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.2333627630253469
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.8769860268839978
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.1797520129293892
+c1cccs1,0.1543456499482506
+C=CCN1C2C1c1ccccc1-c1c2cccc1,0.9176154266388536
+NC(=O)c1cnccn1,0.1369265803646831
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7293448603782171
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],0.9549168388611101
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,0.6647547127124093
+Cc1ccc(c2c1cccc2)C,0.7539236684337086
+Cl/C=C(\C(Cl)Cl)/Cl,0.921670704569314
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9764911252675645
+ClC(=O)Cc1ccccc1,0.4876142861110075
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.059663924618665466
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.08843849182027139
+CCOCCOCC,0.06585963527398149
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.9216802362698312
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.9712403973980197
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.9522437084942945
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.5773317062302743
+C=C1CCC2CC1C2(C)C,0.04365936509300731
+OC/C=C(/CCC=C(C)C)\C,0.04582495602473186
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.7524977550019059
+Nc1ccc(cc1)Cl,0.8337306040229301
+BrCC(=O)Nc1ccc(cc1)C,0.26078941492549373
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.2981445328005507
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.921646200009378
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.088523411860422
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9216778292780834
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.0991035649087735
+CC(=O)C(Cl)(Cl)Cl,0.21059293182081687
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.04611680479539367
+[O-]P([O-])[O-].[K+].[K+].[K+],0.18572370447401607
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0.21552966018203937
+Cc1nccnc1C,0.06659093900557259
+Cc1ccc(c(c1)C)C,0.15995462360685536
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8660193619852653
+BrCC#N,0.15712173220909073
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.10595430450767017
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.9088350232623853
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1574334924083505
+CN(CCN(c1ccccn1)Cc1cccs1)C,0.08206960552199566
+OCCOc1cc(Cl)c(cc1Cl)Cl,0.060824458803896114
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.2118061030194591
+Cc1nnc(c(=O)n1N)c1ccccc1,0.5
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.0785447071480395
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9579731728014397
+O=C1CCCCCCCCCCCC(=O)OCCO1,0.14800917688013163
+ClC(C#N)Cl,0.13039052729337328
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.0885511101653087
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9907941657401619
+OC(c1c(C)cccc1[N+](=O)[O-])O,0.6090567859765249
+COc1c(N)cc(c(c1C)N)C,0.7382427653620821
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.09174947657099004
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],0.9049971171915937
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.8875599202029232
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.4786867896521679
+OC(=O)c1ccccc1C(=O)O,0.04906691152587997
+BrCc1c2ccccc2cc2c1cccc2,0.893826908729087
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,0.951259078379932
+BrN1C(=O)CCC1=O,0.17484683925177846
+ClCC(C(=C)Cl)Cl,0.5617074220310246
+OC(=O)CC(C(=O)O)N,0.11120500480667256
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.9344619114316903
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.23803856611544394
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],0.8975394492771496
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.9139093255294523
+OC(=O)C(CC(=O)c1ccccc1N)N,0.31901246648604176
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.08841986683278731
+Clc1cccc2c1cccc2,0.44105410808391887
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.09653765896681477
+Nc1ccc(cc1)Sc1ccccc1,0.8415743298141408
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.11850769455558764
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.22363358121248578
+[O-][N+](=O)c1ccccc1N,0.9611767708664997
+CCCCCC[N+](=O)[O-],0.06178559270974856
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.08681735017144883
+Cc1ccccc1Br,0.08214679227264829
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.9628214575048335
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,0.9254803105903614
+C=CC(=C)CCC=C(C)C,0.13106142681448904
+O=CC1=CC[C@H](CC1)C(=C)C,0.08839338952060857
+Cc1cc2ccccc2c2c1cc1ccccc1c2,0.9695207098625267
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,0.15677331813849185
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.2234955186378814
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0.12438486403603692
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.08852025019308787
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9885866701696732
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.9601339606307239
+OC1C=Cc2c(C1O)ccc1c2nccc1,0.6512902670944597
+C[C@H](CNC[C@H](O)C)O,0.11188365995540114
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.26701770200902203
+CCOC(=O)[C@@H](O)C,0.15944388629615838
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.039638334925585245
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.02338833358622286
+ClC[C@](CBr)(Br)C,0.45876310427533934
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,0.9224305880338258
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0.06743250035156115
+CC(=O)NO,0.6565976034893031
+NCCNc1cccc2c1cccc2,0.8161827240111081
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0.42069924488502514
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.8941324694791482
+OCC12OOC2(CO)Oc2c1cccc2,0.5976230095816218
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,0.5467901838199186
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.8641091971549829
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13640787129085982
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.945817471532479
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.7431875775909491
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0.08843115988065514
+N#CC(N=NC(C#N)(C)C)(C)C,0.08853737037684506
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.9230745878720318
+C=CC(=C)C,0.20094278084326686
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.1146392969967739
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9173668254223969
+c1ccc2c(n1)c1ncccc1cc2,0.7837231360784084
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.9710462591170508
+COC(=O)c1oc(c(c1Cl)Cl)N,0.2625720794556202
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.9176825738390594
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.5204756848983222
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,0.9712167334679258
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.9579731728014397
+OCCP(=O)(O)O,0.1265841211542086
+CCCCOC(=O)C=C,0.06184760191058063
+O=C1CCCC=C1,0.27168676903516836
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3[N@@]4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.08843115988065514
+O1OC2c3c(C1c1c2cccc1)cccc3,0.1765457443657478
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.27202164368087234
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.9881366473183225
+C1CCC2C(C1)c1ccccc1CC2,0.055090930295926446
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.2936509648456648
+C[C@@]1(CO1)[C@H]1CO1,0.932880406418508
+CC1OC(C)OC(OC(O1)C)C,0.33955469935098764
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.17299379554779049
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.9473892390102655
+NCCC#N,0.11962882537281286
+COc1cc(OC)nc(n1)N,0.0797594179045786
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,0.9283149797479403
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.05045792320812639
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9110540750164132
+CCN(CC)CC,0.11422861496237288
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0.13324070480583164
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.08847968152152355
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.9828380164627522
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0.09638776157914915
+COc1ccc(cc1)Nc1ccc(cc1)OC,0.3126732094733121
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.08927729285421666
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.9800168421494272
+CCN([N+](=NO)[O-])CC,0.37137435532823465
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.9622184549561762
+ClC(c1ccccc1)(Cl)Cl,0.5184032886866665
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0.07078800492841415
+[N-]=[N+]=CC(=O)NCC(=O)NN,0.8122168676514542
+CCCCCCCCCCCCOC[C@@H]1OC1,0.8414948135691899
+Fc1ccc2c(c1)sc(n2)C(=O)C,0.30900695309175524
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9490377228260328
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0.09169679264716753
+Nc1ccc2c(c1)c1ccccc1cc2,0.9850967483123054
+Cc1cc(C)c(c(c1)C)C,0.12056225438945495
+COc1ccc(cc1)N.Cl,0.9110700861698988
+OCCS,0.32835500988899563
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.07675439309223031
+C=CC#N,0.11033259029774778
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.07900956993762744
+CC(=O)OCc1cccc(c1)[N+](=O)[O-],0.37103382221396713
+C[C@@H](c1ccccc1)N(C)C,0.08850053318363049
+COc1nsc2c1ccc(c2)OCC1CO1,0.9477078688459113
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.0885061875483225
+O=Cc1ccc2c(c1)OCO2,0.06322627386302927
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,0.4280904300369
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,0.8585406026038992
+NNC(=O)CNC(=O)C=N#N,0.748250616784087
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],0.08850302063014516
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.26718974907335674
+[O-][N+](=O)c1scc(c1)C(=O)N,0.9288276681209892
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.14258493421244745
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0.25227274667661675
+CCCCOP(=O)(OCCCC)OCCCC,0.07111284291144984
+O1CCN(CC1)Sc1nc2c(s1)cccc2,0.14500150159577796
+O=C([C@]1(C)OC1)NCc1ccccc1,0.8897984936058939
+NCCc1c[nH]c2c1cc(O)cc2,0.102310888893598
+O=C/C(=C/c1ccccc1)/Br,0.6729803744049071
+Cc1c2ccccc2cc2c1cccc2,0.955364085110789
+CCCCCCCCCCCCCCCCCC(=O)N,0.060641989975336666
+C/C=C/c1ccc(c(c1)OC)O,0.08841444453347058
+COc1ccc(cc1)CC=C,0.12871519924366448
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.8735675832210312
+C/C(=C/C)/C#N,0.08856252627173754
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.08844691504021168
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9217652913594713
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.8157014668000163
+NC(=N)S(=O)O,0.22990689600654204
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0.08681735017144883
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.7621873122176971
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.6759178145408311
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.9539498641619819
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.377283050767334
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,0.896412422203283
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.4774235524752366
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.06251640299660972
+COc1nsc2c1cccc2[N+](=O)[O-],0.9236203270668982
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0.03885939814296116
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0.3016269438922805
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.7813492290880915
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.3452741945635846
+ClN1C(=O)N(C(C1=O)(C)C)Cl,0.269952578049572
+CC1=CC1,0.11732723657218977
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.9260041812866103
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.3861433664911644
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.3702262826071413
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,0.9192768353291153
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,0.15719830831114723
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.15191736187519378
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.9218517457809885
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9631624180586212
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0.6498539014318008
+NC(=O)c1ccccc1C(=O)N,0.07974131189686766
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9867252627343415
+COc1c(OC)c2occc2c2c1ccc(=O)o2,0.3898687777285
+COS(=O)(=O)C,0.9256322597512998
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0.700600984374788
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.7691913372758289
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.9604528299527884
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.08841287078018129
+OCCN(CCO)CCO,0.1073381711809121
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.08848943312699023
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.9216621697194161
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9569706443458992
+COc1ccc(c(c1)OC)N,0.9708894725263261
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.4639791635778812
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.9223983394367081
+Nc1ccc(c(c1)[N+](=O)[O-])C,0.983045566445097
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,0.876768715376751
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.9653620386521929
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.7818408314769741
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.08849545428298417
+[O-][Cl](=O)(=O)=O,0.20234479544139417
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.12200832126502903
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.21469128146548186
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,0.9669540834560902
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.9564344955006159
+CCCCCC,0.02942130172323192
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0.0837087782884226
+Cc1ccc(c(c1)[N+](=O)[O-])N,0.9439445422555318
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0.898050514699706
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.17616150977280712
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.3409776872811898
+Cn1ncc(c(c1=O)Cl)N,0.16660405958955554
+O=NN1CCN(CC1)N=O,0.9618793421319431
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.08845780416756854
+OC(=O)C(F)(F)F,0.07320681797517571
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.9650185093464533
+CCCCCCCCCC[C@@H]1OC1,0.08855815062787484
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],0.30053207625200024
+C/C=C\C=O,0.9017175674011899
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.13950650916853735
+Nc1ccc2c(n1)c1ccccc1cc2,0.9159209818357079
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,0.9216633775610329
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.8784810733942479
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.08849748910119164
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.08854372503315883
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0.08847296877557699
+NCc1cccc(c1)CN,0.09103591008462035
+CCCCCN(CCCCC)CCCCC,0.033607106482100094
+CONC(=O)Nc1ccc(cc1)Br,0.07712026139177884
+ClCC(CCl)Br,0.7038493101175157
+COc1ccc(c(c1)C(C)(C)C)O,0.03379420940731925
+Cc1cnc2c(c1)cccc2,0.5072761083984905
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.09347359998762282
+O=CN(C(=O)N(C)C)C,0.12998510200126442
+O=C/C(=C(/C(=O)O)\Br)/Br,0.6588824731406453
+CCOC[C@H]1CO1,0.9449657128446106
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.12390741671884538
+CC(CC(=O)C)C,0.051593027167727984
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.08905645254326311
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.19548104879262185
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.033613252593160954
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.6685707832841972
+CCCC(=O)C,0.05172193694433988
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.9742251680281677
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],0.9476777085704171
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.9217518899506933
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.9173303200379642
+Nc1ccc2c(c1)nc(c(n2)C)C,0.8525717856221808
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.11438811339408479
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,0.9323400725438551
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.1484978588612818
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],0.9024151499749433
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.13399804898389636
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.5876357036490935
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.9795397432393516
+CCCCN(/C(=N/O)/C=O)N=O,0.8465159393233577
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.9607170584877899
+Clc1cncc(c1)Cl,0.03126026761595645
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.9266457720777144
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.9386936578936617
+ClCC(=O)Nc1c(CC)cccc1CC,0.300610176049312
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8999301426615228
+OC[C@@H](CCl)O,0.45552568248645803
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.9359955011769734
+C=CCc1ccccc1OCC(CNC(C)C)O,0.05781990687920378
+O=C=Nc1ccc(c(c1)N=C=O)C,0.4551646260669736
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.6403460977580585
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0.7308077970084197
+OCC(C(C(C(C=O)O)O)O)O,0.2562438638345412
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.8899285845276298
+Cc1cc(N)c(cc1N)C,0.8578517169082502
+C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.8511021489878969
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.39977043155366143
+NNC(=O)c1[nH]c2c(c1N)cccc2,0.6177355989158784
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7572324320836782
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0.31374041445085316
+COP(=O)(SC)SC,0.12241466851825822
+BrC/C=C\CBr,0.364939555449311
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.9079755784112263
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.9599487131121645
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9150140626583996
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0.06290438766409387
+Cc1cccc(c1)C,0.12401836987676752
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.9217522585822887
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.8158331364276965
+CCOC(=O)CNC(=O)C(Br)C,0.7988473034285655
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0.0678337956430036
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.8532320725704334
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9695414095165286
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.47074309788684926
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9877148444131253
+OCCNc1ccc(cc1[N+](=O)[O-])N,0.9718284270284913
+O=NN(c1ncn(c1C(=O)NC)C)C,0.6886905400409936
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8766196931846021
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.05094345052206744
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.9217436696707246
+NCCNCC,0.2730847060296899
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.08851524989705627
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.10615874306986255
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.09115711095488413
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.993482536888721
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.6680483282233884
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,0.08145367822360933
+Brc1ccccc1,0.04741790340666081
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.9937854192348331
+Nc1cnc2c(c1)nc1n2cccc1,0.8822255121980199
+c1ccc(cc1)CN1CCN=N1,0.6453482566234591
+OCCCCN(N=O)CC,0.9677667508538506
+C1CCC2C(C1)c1ccccc1C=C2,0.18902257128101538
+OCOC(C)(C)C,0.26748785891022026
+CCNc1ccccc1,0.5299939527567081
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7327437857833687
+C[C@H](CCl)O,0.5
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0.8804091734981249
+BrC[C@H](Br)C,0.9542958757784331
+Cc1ccccc1OC[C@H]1CO1,0.9207404883911943
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8933641432541843
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.5762276928273626
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.08852973492017291
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.10473005728144147
+O/N=C/C=N/O,0.26318322679386386
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.8576436099290548
+CCCC[C@H](COCCC#N)CC,0.058343138433400686
+CNC(=O)ON,0.3031265325959518
+CC(S(=O)(=O)Cl)C,0.2122931722043564
+CNc1ccc2c(c1C)nc(c(n2)C)C,0.9222549188772088
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.9301345781193621
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.04593956351037598
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8994756983032864
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.24479877569988506
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.9217339895537756
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],0.08659104293627942
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.7319581698987808
+Nc1ccc(c2c1cccc2)N,0.9045834407830964
+CCCCB(CCCC)CCCC,0.1023672906226408
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.4435956460058929
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,0.9597942837685046
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,0.10401261776368054
+C[C@H](C=O)CC,0.08853704404707266
+Oc1cc(Cl)cc(c1)Cl,0.04637327723130934
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.9462432374277318
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.8618226067583743
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.9475449107967177
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.31533824907133057
+CCCCCCCCCCCC(=O)C,0.035461884612200574
+Nc1ccc2c(c1)c(Cl)ns2,0.8483680911793949
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.9579121101449616
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.5611981833407579
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.9869587375094068
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9853905521187237
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.11532087826417749
+c1ccc2c(c1)[nH]cc2,0.7655337693063794
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.8673991303750719
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.08757451628550394
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9700240260578603
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.10147244866625167
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.05413889257445124
+BrCC(Br)(Br)Br,0.7671378681903269
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.8284992070294029
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.8096090711050498
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,0.9465766616255002
+COCOC,0.09727942247324119
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],0.9800115332551369
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.6767607386359997
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.08850710944527121
+Oc1cc2ccccc2c2c1cccc2,0.908445459723846
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,0.8407475648499225
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.9540532829120978
+Cc1ccccc1S(=O)(=O)N,0.09095376194082408
+C=CCC[C@H]1CO1,0.9214659690556589
+CC[C@H](N)C,0.04864296308767793
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.48942603330863255
+CCBr,0.8128473631443976
+c1ccc(nc1)c1ccccn1,0.39147400877019145
+Clc1cc(Cl)c(c(c1)Cl)N,0.546079751808208
+OC(=O)/C=C/C=C/C(=O)O,0.10944951020476223
+O=CC(=C(Cl)Cl)Cl,0.9397801935716521
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.5100379877658683
+CN1CN(C)CSC1=S,0.08848087113691877
+CC(Nc1snc2c1cccc2)C,0.14395889633271852
+Clc1nncc2c1cncc2,0.10890838613143804
+C=Cc1ccc(cc1)C,0.10558348428694618
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0.08846015674530074
+Oc1ccc(c2c1cccc2)O,0.40775429350300907
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.0885465763398357
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.04326104469232422
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.9601339606307239
+BrCCOC(=O)CC(C(=O)OCCBr)O,0.8502745252759665
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.06934742896726595
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.08228721921528115
+Nc1cccc(c1)Cl,0.702076780020415
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.23298865766404717
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.08845932211359894
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.6455957516023895
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9713627366668798
+O=NN(C(C(=O)C)OC(=O)C)C,0.8774938032457268
+BrCC(=O)N(Cc1ccccc1)C,0.18460242390343878
+O=c1oc2c([nH]1)cccc2,0.18690299016747416
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.0988704243604023
+COc1c2cccc(c2nc2c1cco2)O,0.7535116828536017
+Cc1cccc2c1ccc1c2cccc1,0.9303685462376451
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.7796549037038089
+OC(=O)c1ccc(cc1)N,0.2964503623886706
+ClC[C@H](Cl)C,0.8503594500215972
+Nc1cccc2c1c(O)nnc2O,0.5
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.10612854331991003
+Nc1ccc(c(c1Cl)Cl)Cl,0.42915418333261274
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.14583164439126226
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.5
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,0.9103222064694144
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.16645336578650308
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.6177583402290954
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.945817471532479
+OC(=O)CCCCC1SCC2C1NC(=O)N2,0.0885287403870325
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.12735707115235093
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.7046132169156545
+c1cnc2c(c1)ccc1c2cccn1,0.9419472720026791
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9741277080353808
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9673511844575243
+CCOC(=O)c1ccccc1N,0.06198237767926019
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.6880480443039216
+O=NN(C(=O)N)C,0.9558478595586304
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9474857193117047
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0.10348164356394339
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,0.0404570697496018
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.1468607808192594
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.9092391286747018
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.5085571827387395
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.18870414501020533
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.9216459804743541
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.8004048215748546
+OC(=O)C1CC1,0.07451732866450003
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,0.24365941060780705
+CC(CCOC(=O)/C=C\c1ccccc1)C,0.1263006846507074
+COCC12OOC2(C)c2c(O1)cccc2,0.7474622087731561
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.0764363207028545
+[O-][N+](=O)NC(=N)N(N=O)CCC,0.9303799793947496
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.9197354109943386
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,0.8152649834612803
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.7402480610620209
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.9684125148634599
+C=C[Si](Cl)(Cl)C,0.22990689600654204
+Cn1cnc2c1ccc1c2cccn1,0.8360474145539168
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.10835507651650425
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.08841049642572653
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,0.5718753102911155
+N#N=NCCC(c1ccccc1)c1ccccc1,0.937323347429256
+[O-][N+](=O)c1ccccc1C(=O)N,0.8353547286500934
+CC/C=C/CC/C=C/C=O,0.774851641157147
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.08842234889756627
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.079861251509677
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.18213406337089588
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.724707262001628
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,0.08842637788545536
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.10039355066272733
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.1383932955632398
+Clc1ccccc1,0.06013168305739236
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.24655889906905382
+CC(N)C,0.09149393862231667
+COCN(c1c(CC)cccc1CC)C(=O)CCl,0.1754436543154019
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0.10738726788872503
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.22945291972760654
+O=Nc1cccc(c1)C,0.8986601537981921
+O=C1NOCC1(C)C,0.2037901711342413
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9860977222813473
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.785150187995265
+CCCCC=O,0.10776629998478053
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.8145399853169556
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.08839615054620638
+COc1ccc(cc1N)N,0.9844802759437731
+CCOc1ccc(cc1)NC(=O)N,0.14094299081818784
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.8846513729584493
+COc1cccc2c1nc(s2)N,0.4446436787150533
+CC(C(=O)N(Cc1ccccc1)C)Br,0.5676556313873558
+ClC[Si](C=C)(C)C,0.24296003976237343
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,0.8251995140803698
+Clc1ncccc1Cl,0.06462731957678444
+CN(C(=S)SSC(=S)N(C)C)C,0.13845415828915666
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.08766552458746649
+NC(C(=O)OC(C)(C)C)CN=N#N,0.9502127283140567
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.7791605946318276
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.970464830212411
+NNc1nncc2c1nccc2,0.7278450328713835
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.3408730757361518
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0.030931387129090795
+[O-][N+](=O)c1cccc2c1cccc2,0.957173802466619
+CC(COC(=O)C(=C)C#N)C,0.16151823536806723
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.15974466408433374
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.6194636942699988
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.950087979116878
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5421170971320725
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0.05089859456946587
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.21746229257715163
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.3060075362807973
+OC(=O)/C=C/c1ccc(c(c1)O)O,0.11461551275193188
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.20369800229787688
+Cc1cccc2c1cccn2,0.5454158144563499
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.08847075249585405
+CCN,0.18566717890131798
+ClCC(=O)c1ccccc1,0.5809327325651923
+CCCC(=C)C=O,0.5928563704480079
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,0.685535061268666
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.6512902670944597
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0.21471026314657152
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,0.17101961741056088
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.9735736373165368
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9651643324242571
+Nc1c2ccccc2nc2c1cccc2,0.9641859150852047
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.13869921307031244
+CCCCOCCCC,0.08466713507510286
+CCCCC=C,0.12070780290478658
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.25169282294366296
+O=NN1CCCCCCC1,0.9757585200841777
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.7830039525104597
+O=C(c1ccccc1)OOC(=O)c1ccccc1,0.13233759093952197
+O1CC1Cc1ccccc1,0.9508970040366272
+ClCc1ccc(cc1)C(F)(F)F,0.02561525541752061
+Oc1ccc(cc1N)S(=O)(=O)O,0.04710135727555231
+Nc1cccc(c1)S(=O)(=O)O,0.03979244721019643
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.9688076513478682
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.1271397507062603
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.9382170377622192
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,0.43000811627026714
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,0.7637907312679583
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9847948259332632
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.10360829530091793
+CCOC(C)(C)C,0.23606226983010242
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.9308468986421037
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.522434039894587
+O=NN(c1ccncc1)C,0.6716845210053661
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.4420619556733668
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.9217313615839372
+ClCCN[P@]1(=O)OCCCN1CCCl,0.8950327907365722
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.0884918185822925
+Nc1sc2c(n1)c(C)ccc2,0.4326785723342387
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0.08839000386801976
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.11850769455558764
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.712661400865838
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.09902375892105231
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0.05055439329240074
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0.05696391135477004
+O=C(c1ccccc1O)Oc1ccccc1,0.08716093963800532
+Oc1cc(O)c2c(n1)cccc2,0.26173750516710836
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.9732985399943709
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.06847586867183027
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.9347406550846935
+CCOP(=S)(SCSC(C)(C)C)OCC,0.14008588132437744
+OCc1ccc2-c1cc(ccc2C)C(=C)C,0.560058189575302
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0.1326262153296886
+Nc1ccc(cc1)/N=N/c1ccccc1,0.9658382024825025
+Oc1ccc2c(c1)nccc2,0.5685732400684742
+CCc1cccc2c1nccc2,0.5505188208067262
+CC1CCCC1,0.05612946391344388
+Cc1nccc2c1[nH]c1c2cccc1.Cl,0.9020535935428883
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.8641805720621104
+ClCCN(C(=O)NCC(=O)N)N=O,0.9543762647627967
+N/N=c/1\sc2c(n1C)cccc2.Cl,0.6922027325289659
+Cc1cc2CCCc2c2c1c1ccccc1cc2,0.8994891835598654
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.8253851091442032
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,0.0208203287728466
+OC(=O)CC[C@@H](C(=O)O)N.O.N,0.10794126551218353
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,0.9225829971448242
+Cc1cccc(c1)c1nc2c(o1)cccc2,0.14263541065152135
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.2682325151124767
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.16699568842285586
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.1486606887980322
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0.35434643725184956
+O=C1CCCCC1,0.10652900994657281
+O=NN1CCC(=O)CC1,0.9364258883180825
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.5138946087671329
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.08951951289405226
+CCOc1ccccc1N,0.8960393600786632
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.9297410338376872
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.905734313246423
+[O-][N+](=O)c1cccc2c1n[nH]c2,0.9023480395075297
+Nc1cc(nn1C)C1CC1,0.3283896334103125
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],0.27214291469266505
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0.17477007233147382
+OC(=O)CCCC(=O)O,0.07261621034401274
+C=CCN(CC=C)N=O,0.911182764749916
+O=NN(CC(=O)COC(=O)C)C,0.9115687168381202
+CC1=CC[C@H](CC1)C(=C)C,0.02841898076505944
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.592614399995117
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.9217294286880774
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8458584042592375
+COc1ccc2c(c1)C1CCCCC1C=C2,0.1445425367092468
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.16538622091399388
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,0.6690016870515307
+CCCCN(CCCO)N=O,0.9540014665521895
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.9217156680059884
+COc1ccc2c(c1)nc(n2C)N,0.7897724991687848
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.08554198003369103
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.03109966131756695
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8940296855750591
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.9820541772900352
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.832390786671769
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.8676426390899362
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,0.441265594252647
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.3359313103716299
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.9742447558206574
+CNC(=O)ON.Cl,0.31405157722775184
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.9833453704160329
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.9421680252326131
+CCOc1cccc(c1)N,0.8101351148964759
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,0.8636815088977301
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.10867096471810558
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.7314315426222021
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.15490538621632724
+CC12OOC1Oc1c2cccc1,0.46067960453098805
+Clc1ccc(c(c1)Cl)C(=O)O,0.05991638977237071
+c1ccc(cc1)[Se][Se]c1ccccc1,0.18727220142006296
+Cc1n[nH]c(=O)[nH]c1=O,0.24781116152761534
+c1ccc(cc1)N=Nc1ccccc1,0.6958118714517153
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.42965832937673754
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.8355623822012109
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.024238730279107716
+CCCCCC/C=C\CCCCCCOC(=O)C,0.10284892042014009
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.8912065876770056
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,0.8488657786895014
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.5
+COc1cc(=O)[nH]c(=O)[nH]1,0.1761363404746105
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0.0885085228526386
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.9130054810821301
+NCC[C@H](N)C,0.07242467471649876
+Cc1ccc(cc1)/N=N/NCc1ccccc1,0.7135179655974365
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.788489816502235
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.868782075137669
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0.21524379092573864
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,0.23778384314795997
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0.0884286627201739
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,0.9222422785431194
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8954947902978995
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.4197746509400657
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0.32782130049737057
+NC(=S)N,0.12173069117628652
+Nc1cc2nc3ccccc3nc2cc1O,0.8310329596784035
+[O-][N+](=O)CCl,0.37552320818049606
+CCC(C)(C)C,0.02562236268120505
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.594512519454544
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.12660430017439467
+CCN=C=S,0.4142820221318039
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9824680079050679
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,0.8269414401268699
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.9224194350664716
+ClC(c1ccccc1)C(=O)NCc1ccccc1,0.7805103725843437
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,0.9222869635401072
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,0.8879905356305172
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.06295774020461811
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8704979267664487
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.0885365898783395
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.10360829530091793
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.972721480288485
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.41442552521656373
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.9224219688177651
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.20865376038175765
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.22236116919661866
+CCC/C=C/C=O,0.8519052497161206
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.9014248816809414
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.14940569837626722
+OC(=O)c1ccccc1O,0.0376448730458788
+Cc1ccc(cc1)N=NN(C)C,0.922326963674747
+O[C@H]1C=CC=C[C@@H]1O,0.4576766192612152
+CCP(=O)(OCC)OCC,0.132329981942726
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.8642173343278317
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,0.3033311886209024
+CC(=C)C(Cl)C,0.1640732627478612
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.06790608709982954
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.37618872452148505
+O=C(C1=C(C)OCCS1)Nc1ccccc1,0.3320787553276249
+Clc1ccc(c(c1)N)[N+](=O)[O-],0.9493873813367746
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.7477201347309632
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.09465409511919144
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.2193295544125872
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.3414808917595487
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.9507431613549192
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.11718669437641663
+N#Cc1cc(Br)c(c(c1)Br)O,0.07890887078437327
+O=S1(=O)CCCO1,0.8323448706589108
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.5301261462385695
+COc1c2cc(OC)ccc2nc2c1cco2,0.8915164496191784
+ClCCOC(=O)Cl,0.7590344071700924
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.922418417599138
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.03775335578488362
+CCC1OC1c1ccccc1,0.1961831047004448
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.19314056385573777
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.06881612315798259
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.17667225208255372
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.7808508340986247
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.974856108230042
+OC1C=CC2C(C1O)O2,0.4051477763491329
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,0.5840683508487364
+Nc1nc(N)c2c(n1)nc[nH]2,0.33672141247769205
+OOC(N=NC)(C)C,0.8544201446359814
+CCCCCCN(C(=O)N)N=O,0.8400387774820626
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.938306044501253
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.8480855223958482
+Cc1c(NC)ccc2c1nccn2,0.9041628897648026
+OCCCCCl,0.3874244299738766
+OCCNC(=O)[C@H](O)C,0.43632613951645155
+Nc1ccccn1,0.5
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.5462303125374125
+C=CC(=O)OCC(C)C,0.09098846775155237
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.1949955619347731
+BrCC(=O)Nc1ccccc1,0.27900191199261765
+Cc1cc(ccc1N)c1ccccc1C,0.9716942414912023
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.10857323103599165
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.11827676946369331
+CCCCCCCCCCCCCC[C@@H]1OC1,0.08855815062787484
+Nc1cccc2c1snc2,0.8893090597569525
+CC(=O)[C@H](O)C,0.1862577475469055
+O=NN(CCN(C)C)C,0.9438964691711612
+OC(=O)/C=C/C(=O)O,0.07311777117095844
+CCCCOC(=O)CCC,0.05293889964055246
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.9780012486550999
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.6549150751621631
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.1502259829836748
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.8091469432123223
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.7378517908858296
+COC1=C(OC)C(=O)C(=CC1=O)C,0.14597537484587783
+Oc1cccc(c1)O,0.12517437313334276
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.57835885155352
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.9483847076830529
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0.19309919954617497
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.09278651534205631
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.9284647737642299
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,0.9481900281573405
+COc1cc(O)nc(n1)NC(=O)N,0.06257894427743729
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.41524200120057525
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.08846346132503331
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.08546238843621613
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.9369897635296839
+CCCCN(CC(=O)C)N=O,0.9200208321457882
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9444246902866551
+Oc1ccc(cc1)Cl,0.07125995942221333
+Fc1ccc(c2c1nccc2)F,0.865901717201022
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9852416288180869
+O=C1CC[C@H](N1C)c1cccnc1,0.0644098359628261
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.89580798712801
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.605448484940545
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.6781526138696478
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0.3926830377506145
+O=C1C=CC(=NC(=O)C)C=C1,0.09835116360837456
+O=c1[nH][nH]c(=O)c2c1cccc2,0.08888424689037747
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.6445989642942554
+[O-][N+](=O)c1ccc(c(c1)O)N,0.9800492040118963
+C[C@H](CN1C[C@@H](OC1=O)C)O,0.08848362264290519
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.09667068476256392
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,0.9486245628107584
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.9275170582409378
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.06578570919043035
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.7341007148832661
+CCOc1ccc(cc1)N=O,0.8793123154664929
+S=C=Nc1cccc2c1cccc2,0.7333145993675148
+O=NN(c1ccccc1)O,0.39445133417105327
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.08655615593037665
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,0.9334250945268132
+OC(=O)c1ccccc1.[Na+],0.03577014255336045
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.684581904985521
+OC(=O)c1cc(O)c2c(n1)cccc2,0.2470582306348668
+Cc1nc(N)nc(n1)N,0.08144333165179714
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.11370133155208546
+COc1ccccc1[N+](=O)[O-],0.8670046891391212
+CC[C@H]([N+](=O)[O-])CO,0.13182091116540895
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.8634619739332702
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.6443002611494535
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.897257607596061
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.08399554832949124
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.11933960161119712
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.8387112056576906
+O=Cc1ccc2-c1cocc2COC(=O)C,0.5618432725371912
+CCN(C(=O)N(C)C)N=O,0.8756996865557352
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.9816352333306311
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,0.14001292941291393
+Fc1ccccn1,0.09100039741771779
+NNc1ccccc1,0.434875169508771
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9535506078105868
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,0.9083375015648361
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0.0884664076152507
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.13072909620358591
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.7475644048976259
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.08846023452408348
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.3640074119306178
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.7214541201014605
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.989190406417524
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.08852710791450459
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.3859082932258385
+CCCN(C(=O)N)N=O,0.9322267816051582
+ClCc1ccc(cc1)C#N,0.12967984928977525
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9709743186071852
+Clc1ccc(c(c1)N)Cl,0.7166881650708399
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.9549139075548378
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.8058186141056457
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,0.8201942727710687
+COc1ccc(ccc1=O)[N+](=O)[O-],0.9473680260995595
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.49326139888588666
+OC(=O)CC[C@@H](C(=O)O)N,0.11017801145729865
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.8438479590326994
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.9758998500926618
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.955461798032332
+CNCCO,0.13032283473656245
+ClC(=O)c1ccccc1Cl,0.8942466743393322
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.9543547111222678
+C/C(=N/O)/C(=O)C,0.20232174703083583
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.0885156124320915
+Clc1ccc(c(c1Cl)O)Cl,0.0611267911728203
+ClCC1=C(Cl)C(=O)OC1,0.9584639068001766
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9223310616090853
+C1CC2CCc3c(C42C(C1)O4)cccc3,0.059764546940853286
+CC(=O)C(=C)C,0.29985915092817345
+C[n+]1c2ccccc2cc2c1cccc2N,0.9806042872588322
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9224243865062048
+Oc1cc2ccccc2c2c1c1ccccc1cc2,0.8903111159283078
+CCCCCC(=O)N,0.06662330303857086
+[O-][N+](=O)c1ccc2c(c1)cccn2,0.9780484415744946
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.8809883725346985
+BrCc1ccc(cc1)Br,0.0606731489549179
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,0.9449477194678254
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.9741226417422215
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.9726888866409881
+C1CN2CCN1CC2,0.0932725682751705
+O=NN1CCCC1,0.9872774319950061
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.4798161422935706
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.059485453835781854
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.9441816365101315
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.03466226844265126
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9282399409524559
+CSSC,0.18994612027791283
+Nc1nnc(s1)S,0.3320728027554617
+CN(CCN(C)C)C,0.15827687127274417
+OC(=O)CP(=O)(O)C,0.08648788882070567
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0.934837316970751
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.8837685814373533
+Nc1ccc(cc1Cl)C(F)(F)F,0.1928526128958275
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.21745762604241686
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.11186510306669772
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,0.7074816734285322
+O=C=Nc1cccc2c1cccc2N=C=O,0.7614016314485023
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.2447783790914682
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.8427688939834063
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.05142443246457042
+ClC([C@H]1OC1)(Cl)Cl,0.9089287142880942
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.5970711646748026
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0.15087331171473115
+BrCC#C,0.22545577783561652
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.9069828829186243
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.7411772421833633
+OC(=O)c1ccc(o1)[N+](=O)[O-],0.9693602261869974
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.7951478992730796
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.6447210451940688
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.08429487375886509
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.5467798163682394
+Cc1cc(C)c2c(c1)ccc1c2cccc1,0.8774831990143211
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0.17921189414152738
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9860661539307051
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.2041338219525547
+CNc1c(C)cc2c(c1N)cccn2,0.8720635299907085
+CCCCCCCCO,0.04778196992057059
+Fc1cc2ccccc2c2c1cccn2,0.9351220678688967
+COc1cc(ccc1O)C(=O)C,0.10166718987099267
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0.2101929601962137
+CC(=O)Nc1cccc2c1ncc(c2)F,0.575384084194279
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.23052480407791814
+CCCCCc1cc(O)cc(c1)O,0.03802440371692584
+COc1c2ccccc2[n+](c2c1cco2)[O-],0.8092468489530722
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9324557516885239
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.4891805743405096
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.8041985761117166
+COc1cc(N)ccc1N,0.9681757131847709
+O=Nc1ccc(cc1)N(C)C,0.972902083563051
+CN(C#N)N=O,0.7757020061467436
+ClCCN(c1cnc(nc1O)O)CCCl,0.4708803614655591
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.9874909967797096
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.764449498117629
+[Cu].[Cu].O,0.1289296725459612
+Nc1ccc(c(c1)N)O,0.9407808144965264
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,0.9518196018631981
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0.08215789756129802
+OCc1ccc(cc1)C#N,0.10329028609512356
+COc1cccc2c1OC1(C2(C)OO1)C,0.8389010077700477
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.9346213832609391
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.9130517649519161
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.16672198945849012
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.07139709139810024
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.07166144268331648
+ClN1C2C1c1ccccc1-c1c2cccc1,0.9223429301975098
+OCc1ccc(cc1)C,0.11383280737214134
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.8941995655366739
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.8952503399340969
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.9126312305220925
+Clc1cccc2c1c1ccccc1o2,0.5640161990704096
+CCCC[C@@H](C(=O)O)CC,0.04989668884479944
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.700323402526743
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.12554343282951808
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.9436726177913005
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.0917965815611259
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.4322733743994666
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.06892817378800528
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,0.9358325427509306
+Clc1nncc2c1cccn2,0.268867351539727
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.8363180629332748
+O=C1CC(=NN1c1ccccc1)C,0.24207635488445428
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9236162724918731
+COc1cc(C=O)ccc1OC,0.06153847822471624
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.09920113720761829
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.9456600041112568
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9459906713679573
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9202356924592354
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.908612472033349
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.7335442505968452
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.989190406417524
+CNN=NC,0.6964621620924426
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,0.9390450157617927
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.07525802580712442
+C[C@@H](c1ccccc1)Br,0.0854672934824708
+CNC=O,0.15010809670645975
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0.6620964358727882
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.08546837361737519
+[O-][N+](=O)c1ccc(o1)CNCCO,0.8704402029637465
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.906982681968777
+OCNC(=O)C=C,0.2564452941733416
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.9665289121625515
+COc1cc(Cl)nnc1c1ccccc1,0.23975466322834518
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0.06492116559994121
+SCC(C(=O)O)NC(=O)C(S)(C)C,0.08552500165280845
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,0.0655444290320166
+OC(=O)c1ccc(cc1)Cl,0.0189215510116955
+CCN(c1ccc(c(c1)O)N=O)CC,0.774354315953829
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9262691919422019
+c1ccc2c(c1)Oc1c(O2)cccc1,0.19650438265862796
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,0.8250843744802894
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.13455438459383945
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0.08726376690549098
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,0.6898604678579964
+Oc1ccc(cc1N)S(=O)(=O)C,0.3447397195247171
+CO[C@@H]1OC1(C)C,0.2808054502455881
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0.7549278503015117
+N#C/C=C\C#N,0.08549692787550714
+Nc1ccc2c(c1)nc1c(n2)cccc1,0.9638203353359244
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,0.22928972831911384
+ON1C(C)(C)CCCC1(C)C,0.20770925468301635
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.979831236448559
+CCOP(=O)(SC(CC)C)SC(CC)C,0.10572554540259867
+NC(=O)C[C@H]1CO1,0.8747865495463173
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,0.8463825027853336
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.10252427463739024
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0.08984744326623258
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.06949196933421836
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.08543297284620754
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.9859128242401418
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.18403333654210788
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.4518243759311307
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8635062896784588
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.07413553521706827
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.9165073372580352
+[O-][N+](=O)c1cccc2c1snc2,0.9005045082875016
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.6856495455625515
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.08538032994879326
+CC(OC(=O)Cc1ccccc1)C,0.06411920334919056
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.32948670848918704
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.41518779895579183
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.5917412577466419
+CCCCOc1ccc(cc1)N=O,0.9029387604478664
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,0.09188652786339858
+Fc1cnc2c(c1)cccc2,0.631120847818752
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.8862669537543958
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,0.191058046940893
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9329008386010463
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8689772531606786
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.7641031072605192
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.1259233876319098
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.9826464814493758
+O1C[C@@H]1c1ccccc1,0.5253833786530012
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.15212391985477308
+CCOc1ccccc1OCC1CNCCO1,0.09088961833137768
+[O-][N+](=O)c1cccc(c1Cl)Cl,0.6631261639388069
+Cc1ccc(o1)C=O,0.40612272681247935
+OC(=O)/C=C/c1ccc(cc1)Cl,0.06303497341837148
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.08969053603214118
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,0.46300850738591864
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.8770717319705992
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0.09153650903423802
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.91792488342645
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.1814340114353348
+C/C=C(/C=O)\Cl,0.8989591718992319
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.7774231806155629
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0.2236858010213719
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0.08539659730228441
+COP(=O)(NC(=O)C)SC,0.085437289926592
+OCCOCCO,0.09654751178451215
+C[C@H](COC(C)(C)C)O,0.33326821097518294
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.8740323736206682
+C=CCOC(=O)COCCC(C)C,0.09228254342927504
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.061531889333018626
+O=c1c2ccccc2[nH]c2c1cccc2,0.916062463004541
+CCCCSCC[C@@H](C(=O)O)N,0.2112947359938759
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.05900671103825732
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],0.8848090721547072
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.9468289523205798
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.4908212286507623
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.0854279072071643
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.032005734946392486
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.07654752110282005
+Clc1ccc(c(c1)[N+](=O)[O-])N,0.9493873813367746
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,0.9130520929392855
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,0.08550336721715704
+CNC(=O)CSP(=S)(OC)OC,0.15805942271418402
+[O-][N+](=O)OCCN([N+](=O)[O-])C,0.8378745058481822
+C1CCCCNC1,0.06209659578429897
+CC[C@H]1CO1,0.8049292186467581
+CCCC(=O)Nc1snc2c1cc(C)cc2,0.26119570504890766
+C=CCc1ccc(c(c1)OC)O,0.14800685037253375
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9272884737151926
+CCc1c2ccccc2cc2c1c1ccccc1cc2,0.8751455282126482
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8911341910849002
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.06943312933422131
+c1ccc(cc1)/C=C/c1ccccc1,0.3684055797227491
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.9739657101700804
+CC(=O)/C=C\c1ccccc1,0.26487966340425767
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.0854363789878897
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.9357696004217758
+CCC(=O)O.[Na+],0.08349537079543386
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.030510542524135542
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,0.08562742788918742
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.9223199121533464
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.9283623580868486
+CC(=O)Nc1cccc2c1nccc2,0.7220308503371591
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.9714838026032251
+ClCc1ccc(cc1)F,0.1996961603618594
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.06671233009303172
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.8204286567756868
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.06079572373352004
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.3381443237712769
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.2293993657830828
+BrCCSCC(C(=O)OC)NC(=O)C,0.9223698351305111
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.1468711842827915
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],0.897231888150378
+C[C@H]1CC(=O)O1,0.13017109136649976
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,0.07633027250582328
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.9577168990559539
+CCC(=O)OCc1ccccc1[N+](=O)[O-],0.4271552197186816
+OCC1CCCO1,0.1419572667732169
+CCCCCCC(=O)O,0.03266672536437149
+CCc1ccccc1[N+](=O)[O-],0.6908231841504187
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.08543373910553077
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.7799149871522956
+Nc1[nH]cnc2-c1ncn2,0.7855863053658864
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.06179370970102055
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.6162793294925486
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.35910958634396145
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.6573830440736048
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6235460637725749
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5325290532738838
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0.15809016163750667
+Fc1cccc2c1nccc2,0.8814874915438773
+O1CCOCCOCCOCCOCC1,0.11664874521193842
+Oc1cccc2c1OC(C2O)(C)C,0.12312178255279299
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.1648874994781129
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.6605428366998171
+COP(=S)(OC)OC,0.15511620417550923
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.09372393998235631
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.12027955420755626
+S=C1SSC2=NCCN12,0.3925604554540257
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,0.9449399194181454
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,0.344898177507592
+Oc1ccc(cc1)O,0.07210506755223123
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.08552956889262121
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.922315025027246
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.252945782695961
+NC(=NC(=N)N)NCCc1ccccc1,0.0962582841939033
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.9182393225724659
+OC(=O)c1ccc(c(c1)N)C,0.4909910070097778
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,0.6299461212375776
+CCOC(=O)c1ccc(cc1)N(C=O)O,0.1876238767339221
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0.11274686888365112
+COc1cc2cccnc2c(c1)[N+](=O)[O-],0.9256511651329044
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.9660778675138579
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.9223170536437059
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9223405521728443
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9614647139029178
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.2061071755526253
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.031496268362731186
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.12805986993488816
+NC(=N)N,0.29283425762451737
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,0.9222845616258772
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,0.1766830636113363
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.062893149880701
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.7351825375044356
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.7687687310651988
+O=NN(c1ccccc1)c1ccccc1,0.7983260336504359
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9896136757137418
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,0.8802409375188849
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.967227961839296
+Cc1ccc(cc1)Cl,0.06613859032633058
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9224129559534873
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,0.790438582725611
+Cc1ccc(c(c1)S(=O)(=O)O)N,0.6337036757738763
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.9960014254398651
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],0.9878060574435719
+CC(=O)N(c1ccc2c(c1)cccc2)O,0.9258783511080992
+C[C@H]([C@H](O)C)O,0.08551555759947942
+Cc1ccccc1Cl,0.021169252003119435
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.5215607759827282
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.3467253213612641
+OCCN(N=O)CC,0.9676218800724894
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.09250424598879058
+O=NN(c1ccccc1)C,0.5348941409149709
+CCCCOC(=O)c1ccc(cc1)O,0.028949602228525582
+O=CC=C(C)C,0.7190859433394635
+OCCOC(=O)C=C,0.077212538825515
+Nc1scc(n1)c1cccnc1,0.8150258173744743
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.07591474454999383
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.922291847691645
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.18886816598232511
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.0855292966632894
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9468395555635442
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.1333052599785734
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.9931217659170822
+COc1ccc(cc1)C=O,0.0965622113361487
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.9760788293162512
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.28949782909445504
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.932205195594919
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.40156927546109966
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],0.853005093713405
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.040678419655973026
+CNC(=O)ONC(=O)NC,0.22560344888629028
+CCCOc1ccc(cc1N)N,0.8662811399265586
+ON1C(C)(C)CC(C1(C)C)C(=O)N,0.10928237931315402
+C/C=C/Cl,0.5671741522636089
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.3750003522047307
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0.19311865150869667
+N1CC1,0.140705611739687
+OCC1OC(CC1O)n1cnc2c1ncnc2N,0.36887455900502675
+NCC1(C)CC(N)CC(C1)(C)C,0.09393140246579934
+CC(C(=O)N)Br,0.8945867355735524
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9224004250577668
+CC(Nc1nc(N)nc(n1)Cl)C,0.08008553971018442
+COC(=O)CCCCC(=O)OC,0.11942245607317391
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0.08546922600652605
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.271628553345058
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.9223647908063236
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.956454222475845
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.8971290116003439
+COc1ccccc1O,0.30453570020469606
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,0.29487320250130356
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0.06584898104259353
+Oc1ccc(c(c1)C)C,0.06292023383694419
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,0.08947456712579513
+C1O[C@H]1C=O,0.5389852350884552
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.41619783708859764
+CCC(CO)(CO)CO,0.14961149170747487
+NCCNC(=O)c1ccc(cn1)Cl,0.22178089427717185
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.16523703723461206
+O1C(C1c1ccccc1)c1ccccc1,0.40520829399926567
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,0.5217654805167128
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.06175740870192494
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.24019273184764656
+O=Nc1nccn1C,0.6477275521478104
+CNC[C@@H](c1ccc(c(c1)O)O)O,0.07902766365482279
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9329008386010463
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.8840107622999336
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.13349866575554917
+N#Cc1ccc2c(c1)nc([nH]2)N,0.3925032828778601
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.9706606401149046
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.9668505135082693
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.9055442038464353
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.10997341514472238
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.12420127061174761
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.15022734134410937
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.9223409553259848
+CC(=O)Nc1ccc(cc1)N,0.8616060355758093
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0.08194117712401554
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0.08472253080420464
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.9222871160043469
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.06877550676299397
+[O-][N+](=O)c1ccc2c(c1C)cccc2,0.9571393033487363
+CCC(=O)C(=O)C,0.6820814035390862
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.06388312840544208
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,0.5210943202526194
+BrCc1cccc(c1)[N+](=O)[O-],0.6988842741500928
+[O-]P(=O)=O.[Na+].[Na+],0.19155266920693767
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.6200628042222714
+ClC[C@@H](CBr)Br,0.97101771048489
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.20799458420663655
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.5870161725802148
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.08828106792256973
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,0.5611402245791393
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.16953352847432468
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,0.08543421242039693
+CCCCCCCCCCCCO,0.04778196992057059
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.8041761707960539
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.9834078581192908
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.12170751721000862
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.6684460013115247
+O=CC1=CCC(CC1)C(=C)C,0.08546425204952048
+O/N=C/C(=O)Nc1ccccc1,0.2199282417983963
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.7335590233563472
+CC1=CC[C@H]2C[C@@H]1C2(C)C,0.030314114870642967
+c1scc(n1)c1nc2c([nH]1)cccc2,0.8747180007182948
+COP(=O)(OC)C,0.12537030875939367
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7579686245162285
+CN[C@@H]([C@H](c1ccccc1)O)C,0.048421728735511
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.289077005280952
+O[C@@H]1COC(=C(C1=O)O)C,0.6896614691028717
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.022760913477726196
+Cc1cccnc1,0.08926685801258964
+CNC1Cc2cccc3c2c(C1)ccc3,0.8652173331688733
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,0.9344460848955544
+Clc1ccc2c(c1)cccn2,0.6995586198768314
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.2444025624790349
+Clc1ccc(cc1N)C(F)(F)F,0.05107934619003464
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.511985655832165
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.05401531336393431
+OCCOCCOCCO,0.09654751178451215
+O=C(C1OC1)Nc1ccccc1,0.8488279273601187
+CCCCCCCCOc1ccc(cc1)C(=O)O,0.04335430640479634
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8592556675544923
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.0789555031164575
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.8702944694299526
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.033824020703118914
+Clc1ccc2c(n1)cccc2,0.467515739544713
+OCc1ccc(cc1)F,0.1755444314212681
+O(Cc1ccccc1)C[C@H]1OC1,0.925217191063009
+CCSCCSP(=O)(OC)OC,0.2652758284788407
+[O-][n+]1cccc2c1cccc2,0.4345539499634643
+CC(=O)c1ccc[nH]1,0.10317796117951246
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,0.9194944795281498
+CCCCC/C(=C/c1ccccc1)/C=O,0.085424176565503
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.07484238679006362
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0.08544434057566287
+ClC(=C(Cl)Cl)CS(=O)(=O)O,0.5437858499326461
+CCOC(=O)CCl,0.16130593338827146
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.1375597658475899
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.11423467230804163
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.08608961975769666
+Fc1ccc(c2c1ccc1c2cccn1)F,0.9018614743733564
+Nc1ncc2c(n1)nc[nH]2,0.11969121405381561
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.7418159815442029
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,0.9096251713467327
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0.07200539252718736
+Nc1nc(nc(n1)Cl)NC(C)(C)C,0.08335241024556685
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0.07513060169033169
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.9419816681938431
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0.15160957739885358
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,0.3182973294974009
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.8994206528951086
+NNc1nncc2c1cncc2,0.7310413034045058
+CC(C(C)(C)C)OP(=O)(Cl)C,0.08537658584350147
+CC(=C)OC(=O)C,0.14772027610002597
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.8492773417587829
+OC(=O)O.[Na+],0.08446745662403794
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.08546445599258387
+c1ccc2c(c1)cnc1c2cccc1,0.9447536073287396
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.9110436892048699
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.08544399246447755
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,0.8188877986858911
+ClCC[N+](C)(C)C.[Cl-],0.46715865580273397
+CCCCNc1snc2c1cccc2,0.096919114518196
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.08090496671110654
+CCCCCCCCCCCC[C@H]1CO1,0.08549290581262611
+OCCN(C)C,0.13356710530726532
+CCO,0.15268929180890906
+CSc1ccc(cc1C)OP(=S)(OC)OC,0.22177753663175853
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.9513053696448468
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0.08235984891495277
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.5917412577466419
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,0.9343847197453263
+O=Nc1[nH]cnc1c1ccccc1,0.8010633433438473
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],0.9465775990084427
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.9811474108530779
+CCCCN(CCC(=O)C)N=O,0.8754946478683273
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.9802617383301446
+C1COCCS1,0.2546186844286447
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0.16219764245719115
+CNC[C@H](c1cccc(c1)O)O,0.038550803730545265
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.9584713101940272
+O=c1nc[nH]c(=O)[nH]1,0.10019595991379406
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.8109355205480686
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.24073491469445052
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.7895777506168372
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,0.8868620640557637
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.9244675372562613
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7836696517864872
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.9534669870337875
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.24958837175283183
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9741695009420182
+Nc1ccc(cc1)Nc1ccccc1,0.7029917370255343
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.5353402784450614
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.1970778603459726
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.5490754444696953
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.09594349769618671
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.7404398813291615
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9917109753388587
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.0854433329490434
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.8100444231731878
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.13282951207790544
+OCC(CO)(C)C,0.09874343015262754
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.1144378871060646
+OC(=O)c1cccc2c1nccc2,0.1622079293168867
+NC(=O)Nc1ccc(cc1)C,0.08340886883558866
+NC(=O)CNC(=O)C=N#N,0.8199590105257161
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.9713689509140935
+Cc1cc(nc(n1)O)C1CC1,0.0953275077092594
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.06929578176583351
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.8840415556391478
+CCN(c1ccc(cc1)[N+]#N)CC,0.7039794668452839
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.0848569909239837
+BrCC(c1ccccc1)Br,0.7451750429116529
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.3066751371252464
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,0.38545267810212863
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.08545302750740433
+SCc1ccccc1,0.16870848675580224
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,0.48803921788452803
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9223302477107562
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9164650083236762
+ClCc1ccccc1,0.12041455282467074
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8750092503266916
+CC(=C)C(=O)OCCO,0.0839296276027549
+CCNS(=O)(=O)c1ccccc1C,0.07655639309748223
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,0.9597861278010048
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.15535664256971476
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0.0980062212802428
+COCCc1ccc(cc1)OCC(CNC(C)C)O,0.06725477279783237
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.9223309369870842
+Oc1ccnc2c1cccc2,0.6788212192020376
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.08549663166175943
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.08810069596428241
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.12947424112538225
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6556142923050198
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.8815133949911931
+CNc1ccc(cc1)N=Nc1ccccc1,0.9223507996074997
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.0318563537235788
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.9623151998300615
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.9839019102472424
+O=Nc1cccc(c1C)[N+](=O)[O-],0.9595811306265042
+CC(=O)C1(CCNCC1)c1ccccc1,0.1299567842803396
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.9397941463665367
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,0.2500796674395151
+ClCCN(C(=O)NC1CCCCC1)N=O,0.9527506281213992
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.8742776835313241
+CCc1cnccn1,0.050655124582140144
+O=C1NCCN1c1nccs1,0.5301318711689378
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9341662946983456
+Cc1ccc2c(c1)ccc1c2cccc1,0.9094692008136236
+C=C,0.17602013715383116
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.1429929150075731
+CNc1ncnc(c1)Oc1ccc(cc1)N,0.6841975814315869
+Cc1cccc2-c3c(C(c12)C)cccc3,0.9223449111947107
+CC(=O)N,0.4146548174384624
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],0.9539681179308339
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.8375257293988826
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.944135180081038
+O=NN1CCSCC1,0.9695525766114443
+NC(C(=O)O)CSC(=O)NCCCl,0.7667561349169972
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.14048955065594587
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.03425561009295064
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.9435842565874946
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.21160965411396096
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.9354337222323978
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.15739631448513292
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,0.9853112254985236
+Br[C@@H](C=O)CBr,0.9223632711162146
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.14949268089609938
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.7337604745366417
+ClCCCCN(COC(=O)C)N=O,0.959063796792147
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.17826628948685155
+CS(=O)(=O)O,0.17818027306423467
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.10211355829991384
+Nc1nc2c(n1C)ccc1c2cccn1,0.964462063068542
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0.7111316696580678
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.08550325069743038
+N[C@@H]1CCC[C@H](C1)N,0.06859109119968962
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.294281308822944
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.2588238279138455
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,0.6299461212375776
+COc1cc(C=O)ccc1O,0.07990038226491375
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0.18778609123890613
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9434035598197081
+NC(=O)Nc1ccc(cc1)Br,0.033777890691626435
+N#CCCC#N,0.1010291031134639
+Cc1ccccc1c1ccccc1,0.7687073886978067
+ONc1cc[n+](c2c1cccc2)[O-],0.762337297788505
+CC1CCN(CC1)N=O,0.9503445783974784
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,0.0982606738985007
+CC(C(=O)NCc1ccccc1)Cl,0.4621490191247957
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,0.1506107563966082
+CCCCCN(CCCC)N=O,0.9414635326713326
+Clc1cc(Cl)nc(n1)Cl,0.1650156045850284
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.8777681422715118
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.05863346631078415
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.09898724148286589
+C/C=C(\C=O)/Cl,0.8989591718992319
+O=CC1=CCCC2(C1(C=O)C2)C,0.5591240843841181
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.0904001291562046
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3483548406218952
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.948351606163619
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,0.08281554542584316
+CC(CCOS(=O)(=O)C)C,0.8464021072940363
+c1ccc(cc1)Nc1ccccc1,0.2152834546308209
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.09749435229806942
+BrC(C(Br)(Br)Br)Br,0.22809667294535937
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9094692008136236
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9857678457258888
+CC(=O)Nc1ccc2c(n1)cccc2,0.6542718298397063
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,0.9101895660099547
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.4924805588308325
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.061714020771238026
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.15305515418008417
+CCCCN,0.09714828343420377
+CN1CCNCC1,0.09226053543920874
+NC(=O)CI,0.29137486034339466
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.0854413212377285
+O1CCOCCOCCOCC1,0.11664874521193842
+CCCCCCCCCCCCN(N=O)C,0.9402024197687793
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.24154614926540177
+NCCCN1CCN(CC1)CCCN,0.05407440907340613
+OC(=O)CCN=N#N,0.8320844239550661
+Fc1ccc2c(c1)c1ncccc1cc2,0.9335393075652924
+COC(C(Cl)Cl)(F)F,0.1208874115610597
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,0.9306881943535198
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.9370777802730532
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.08152763023556531
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,0.7628821512969182
+O=c1ccc(c[nH]1)C(F)(F)F,0.05641392779145119
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.1269376926025159
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.09393140246579934
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0.08322128238195094
+OCc1c(N)cccc1[N+](=O)[O-],0.8508751112423553
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.12547303539980326
+ONc1ccc(cc1)Sc1ccccc1,0.9242616510064332
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.5930032962212919
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0.08538773507836507
+NNc1ccccc1.Cl,0.45466531691925083
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.9509223966779492
+c1ccc2c(c1)cc1c3c2cccc3C=C1,0.9651618728363938
+Clc1cccnc1,0.040101822806626185
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.12756293119335357
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.7866465444572041
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7543599494428063
+Oc1ncc(c(n1)O)F,0.095833900720567
+CCN(C(=S)SSC(=S)N(CC)CC)CC,0.1934603295100887
+OC/C=C(\CCC=C(C)C)/C,0.029892660478012572
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.408013808848937
+CSCCC(C(=O)O)N,0.10668392209398327
+CCOc1nc(N)nc(n1)N,0.06264225969525793
+BrCCCCCBr,0.8311005309433033
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,0.7323946543619999
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.946693210565558
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.07252370408141537
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.9176155129438577
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.1863499957778615
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.8400467924734133
+CCN(/C(=N/O)/C=O)N=O,0.9352732921515177
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,0.5
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0.12291838751229649
+CCCCSCCC(C(=O)O)N,0.2112947359938759
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.030249798575166992
+C/C=C/C=C/C(=O)O.[K+],0.1155300994187657
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.28579501776818506
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.23331201280389924
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.07911469158603132
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.946400157840047
+CCCCCCCCC(=O)OCC=C,0.05996199059038577
+CC(=O)Nc1ccc(c(c1)N)C,0.8340392786912917
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.9558527452709393
+C[C@@H]1CCC(=C(C)C)C(=O)C1,0.13375875242589763
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.9720756155847644
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.2238910738572547
+OC[C@@H]1SCCN1N=O,0.8591455050358596
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.9223936061858732
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.25814061557967777
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.9483461791328636
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.38273311954035755
+Br[C@H](CBr)COC(=O)C=C,0.7930394503581539
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.8133073290838071
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9707161461977287
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.11802430939810066
+OC1C2OC2c2c(C1O)ccc1c2cccn1,0.42719434140555335
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.9223015211823872
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.15283716710767162
+OC(=O)Cc1ccc(c(c1)O)O,0.10412407780138884
+Nc1ccc(cc1)S(=O)(=O)O,0.16059685719481936
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.7149840673008252
+CCCCCCCCCCCCCCCCCCCC,0.033704974046353225
+BrCC=C,0.2942184836582137
+BrC(Br)Br,0.18994612027791283
+ONc1cccc(c1)C,0.906214842011388
+CCC#N,0.11010381861207912
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9579440715583908
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.9307445016029152
+C=CC=O,0.6936611845903803
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.07548450395454258
+ClCCN(C)C,0.8427933107287807
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9817126062310807
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.06453484320162613
+NCCNCCN,0.39045590143196174
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.49229732279939864
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.7487094212529857
+ONc1ccc(cc1C)C,0.9059844652836245
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.9374619764295546
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0.08648813836576649
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.8402097009588567
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.8074301883141658
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.8393599221836887
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.9221869958772101
+CN(c1nc(C)c(c(n1)O)C)C,0.07755958179472457
+c1ncn[nH]1,0.08288738364686507
+ClC/C=C\Cl,0.9221777768112914
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.5563381235212052
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,0.9164957118382908
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.10198825369941268
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.9307477992983522
+ON1CN(Cl)CN(C1)Cl,0.0966781355032176
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.9253334773833586
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.26164233184189895
+CC(c1cccc(c1O)C(C)(C)C)(C)C,0.031604476318016106
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.13695691019775003
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.8868880515450109
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.20131067575624262
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.8390794829105752
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9527831838816996
+O=NN(Cc1ccc(cc1)C(=O)O)C,0.7577700879965967
+Cc1ccco1,0.09133386228451282
+ClCC(Cl)Cl,0.5723948573227253
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0.09140188391804444
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.09952232527524821
+Cc1ccccc1C,0.12692978847578767
+OCCCCCCC/C=C/C=C/C,0.2625330752159963
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.09380908830042446
+Nc1sc2c(n1)c(Cl)ccc2,0.3622461930643117
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.9771902547433919
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.2468378364005149
+O=S1CCOC(=C1C(=O)N)C,0.35923903069861846
+C=COC(=O)C=C,0.14905605031148972
+[O-][N+](=O)c1ccccc1C,0.8879185913434645
+NC1CC(C)(C)N(C(C1)(C)C)O,0.1318869847225783
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.9221938809255108
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8646315952348137
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.22431961521759736
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.059144656634120954
+O=C1CCCO1,0.09862349130971033
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.47847274560460396
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.3808995790202698
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.6521840368225068
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.9221818640202901
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.8861476293992832
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.3348015791283299
+OC(=O)c1ccccc1,0.030202653293243696
+O=NN(C(=O)N)CCC(=O)O,0.8356916736823463
+Sc1ccccc1,0.19454350247983934
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.12113197796118215
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.23257662497957923
+ClC(=C1OC(=O)C(=C1)Cl)Cl,0.8335874082573784
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.8490836616109426
+OCc1ccc(o1)C=O,0.13326786928448353
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.09749142298012486
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.170205304626813
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.4590078662878271
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9808125339677365
+C1CCC(CC1)N=C=NC1CCCCC1,0.08302028580058637
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0.6959721140806273
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.8598778977128073
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.037256133132549794
+COCCOCCO,0.07498492487552001
+Cl/C=C/CSCC(C(=O)O)N,0.4399950942429984
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.8125263633642501
+OCC(C1OC(=O)C(=C1O)O)O,0.08543348080020896
+Nc1cccc2c1cc1ccccc1c2,0.9551859116377761
+On1nnc2c1cccc2,0.09749651205086
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.2674351508606274
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9748653309199385
+CCCCCCCCC,0.033704974046353225
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,0.6970138027932705
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.10358974917302612
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,0.13913709997768
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0.19416532781786824
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.0954385550844642
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.07054443190939949
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,0.8562999643053671
+Oc1cccc(c1)N(C)C,0.6295977202149771
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.8623529318945179
+OCc1c2ccccc2c(c2c1cccc2)C,0.8259787459285386
+CC(=O)OC=C,0.22603125931128126
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.08545562738360665
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0.4192369695144893
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6224461342836491
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.9365741513272373
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.08449761865414246
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.1637294206129678
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.06630275200477605
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.8398646448155536
+c1ccc2c(c1)c(OCC1CO1)ccc2,0.923838096169561
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,0.3603964430568273
+O=C1CC=C(O1)C,0.2404502984810237
+NNc1ccccc1[N+](=O)[O-],0.8997293005629604
+N[C@@H](C(=O)O)CS,0.31002309221355967
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.9960732953027563
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.8528867371564438
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.07760713088951988
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.15215248877936036
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.08612349119106336
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.12498861151500969
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.03914998305093066
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.08602805053459242
+CCn1c(N)nc2c1c(C)cc1c2cccn1,0.8696241414134139
+O1CCOCCOCCOCCOCCOCC1,0.09979607442053526
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.22831290003601643
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.5466455412127997
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8440502567955511
+CCCBr,0.8605219078325873
+NCCNCCNCCN,0.15036949514087147
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.16643535780053176
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.03567348948817288
+ONc1ccc(cc1)Cl,0.7641352929344253
+CCN(c1ccc(cc1)N)CC,0.7902866803739858
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.24652311620752224
+Clc1ccc(c(c1)N)N,0.7697156809193992
+OC(=O)C[N+](C)(C)C,0.07223747093208367
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.9248158721865468
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,0.9698769474096252
+ClC(=O)c1ccccc1C,0.8670619970772044
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.10285283484339164
+CCC([N+](=O)[O-])CC,0.18200771476186892
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.8902236641640185
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8718163468413038
+CCCON(C(=O)c1ccccc1)OC(=O)C,0.9043847911523085
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9325730867337327
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.9271487615601328
+[N-]=[N+]=CC(=O)NCC(=O)N,0.8181658128784813
+CCCCCCOC(=O)C(=C)C,0.05263355565626411
+[O-][N+](=O)c1cccc2c1c(C)ccc2,0.9174651439393718
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.08942570065960005
+CC(=C)C#N,0.12646629413394156
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.9248158721865468
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.24573083870483664
+CN(N=Nc1ccc(cc1)Cl)C,0.8662213442185545
+OC(=O)[C@H](O)C.[Na+],0.07188132224849704
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.8458016521516779
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.9846027159460822
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.6300357009634071
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8770892224556729
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.08608072065982371
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,0.5556115211220484
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.9315290315043127
+CN(c1ccc(nn1)NN)C[C@H](O)C,0.713169682254162
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.08607911975858265
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,0.09292497935544569
+COCN(c1c(CC)cccc1CC)C(=O)CO,0.4090266984877305
+COc1ccn(c(=O)n1)CC(CN=N#N)O,0.850130467290713
+[O-][N+](=O)c1cccc(c1N)C,0.9369142964802671
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.9221725430749982
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.09796664229538277
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.0861309423362354
+OC1C=Cc2c(C1O)c1cccnc1cc2,0.424787840678845
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.1663316281754115
+ONc1ccc(c(c1)C)C,0.9408956534409376
+c1ccc2c(c1)cc(cc2)OCC1CO1,0.9542727059689619
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0.041654308862843326
+OC(=O)CCC(=O)O.[Na+],0.04647578484617143
+ClC(=C)C#N,0.14924013861189675
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.7234529895981548
+CN(C#N)C,0.29028703375709397
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.13589549631322073
+CNc1nc(C)c(c(n1)O)C,0.1334726150537835
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.9786920032124603
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8831617680965973
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.10507671424176966
+CCCCCNc1snc2c1cccc2,0.06988586511902062
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.10635924453723408
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.5538924957627502
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.6615209519375581
+CN(CCOC(c1ccccc1)c1ccccc1)C,0.0788991722246593
+OC[C@H](O)C,0.08843760317053564
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.09626319841474046
+Oc1nc(O)nc(c1)C(=O)O,0.07750287302041325
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.9225333631200139
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.08948091731645481
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,0.07518079890370316
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.17158733017142583
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9687901547901964
+OC(=O)O.N.N,0.08610811683282314
+CNC[C@@H](c1cccc(c1)O)O.Cl,0.06061880768270319
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.965470958070329
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.4164982753480596
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.2391659699908167
+O=C(c1cccc2c1nccc2)OCc1ccccc1,0.11802263312418375
+OCCCCl,0.5771482975873248
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9830999034344546
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.9221038176041861
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,0.15293023554182567
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9539562638895616
+CCCCCOC(=O)C=C,0.03672103087178433
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.9212482520631011
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0.09961841196684701
+COc1nsc2c1cc(OCC1CO1)cc2,0.9221746181868742
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.08607623355476447
+CCS,0.13330117051047496
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.9228742520842521
+O=C/C=C/c1ccccc1[N+](=O)[O-],0.9580596216626269
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.9180627085185566
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.9221910700736782
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.3600019603499423
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0.4559937136876921
+Clc1cc(Cl)c(cc1Cl)Cl,0.02041294707460995
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.6499650462717467
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.14792822485215334
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.09656149763140567
+Cc1c[nH]cn1,0.10261414872394793
+O=C=Nc1ccc(cc1)N=C=O,0.5531613362274654
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.9222102157468572
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.2076779483423534
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.6192850637704416
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0.10925970372647896
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0.09758591624384903
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.08741550678038855
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9221541469288436
+ClCCCN(COC(=O)C)N=O,0.9708901077770883
+O=C(C(C)C)Nc1snc2c1cccc2,0.15680553398889546
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.0823331520424424
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,0.6479748206414516
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.08606124214710129
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0.290180053622649
+OCC(CBr)(CBr)CO,0.7986335240762128
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,0.7808869708892455
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.2617206550216417
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.1412606874951179
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.11487639417949957
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.09252687672272329
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.9656566856043796
+OC(=O)c1occc(=O)c1O,0.18023949107760667
+CN(c1nc2c(n1C)ccc1c2cccn1)C,0.9193630498701109
+CC(=O)c1ccc2c(c1)cccc2,0.3958531136708405
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.8556058745860924
+Clc1ccnc2c1cccc2,0.48283980762826345
+CC(=O)OCN(N=O)CCCl,0.9758232976873712
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.10379979359259382
+Cc1c(N)cccc1Cl,0.5990329128118688
+COS(=O)(=O)F,0.2993853582479834
+ClC(Cl)Cl,0.17894425920029836
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.9534665873001545
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.18889834674852765
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.0723910249470546
+NC(=O)c1cccc(c1)[N+](=O)[O-],0.9213956639238734
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.049785817735680526
+CC[C@H]([N+](=O)[O-])[C@H](O)C,0.12437697038875241
+Nc1[nH]cc2-c(n1)ncn2,0.14583558993037096
+ONc1ccc2c(n1)n1cccc(c1n2)C,0.8706984217358621
+C/C(=N/O)/CC,0.5184622806822727
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.42004289754922913
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.058696008390694956
+O1CCC2(CC1)CO2,0.23477571146675766
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.08094599416224345
+COC12OOC2(C)Oc2c1cccc2,0.43677675772048846
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.9615974908065769
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.8264092492632849
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,0.8769583919016944
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,0.15809535430755897
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,0.2161886330660838
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.14416980973046062
+NC(=S)NNC(=S)N,0.1350861368171093
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.9522605512782331
+Cc1ccc(cc1)C[C@@H]1OC1,0.935773400249718
+CC12OOC2(C)c2c(O1)cccc2,0.9381826854014919
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0.334214309044343
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.6409759025008116
+O=C(c1ccccc1)Nc1snc2c1cccc2,0.360033646714629
+ClC(C(C(F)(F)F)(F)F)Cl,0.07257008557559128
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.6986546579649352
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8129447042474766
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.8934681484328492
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.06289161502894201
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0.10680681046840382
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.9727532711940435
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.4096427585062695
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8905612633293282
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.6078837109733393
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0.08609363856742754
+N#CC(C(C#N)(C)C)(C)C,0.13830405704945883
+Nc1scc(n1)c1ccccc1,0.46769625294562683
+Clc1ccc(c(c1)Cl)O,0.07330120098690114
+CC(c1ccc(nc1)C(F)(F)F)O,0.07274297930360546
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.08603740619542699
+ClCCC(=O)N(c1snc2c1cccc2)CC,0.1781927228959523
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.11321913414593257
+COC(=O)c1ccco1,0.059236109133925734
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.15480765318770184
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.07250918411974376
+Nc1cccc2c1nc1CCCCc1c2,0.8686104291191882
+CNS(=O)(=O)c1ccc(cc1)N,0.36328189885371953
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0.05452266920526947
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.05178489705575466
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,0.8997446606946643
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.421232645426299
+ICCc1ccccc1,0.38630390625890265
+CCOC(=O)C(CS)N,0.29526874829026056
+S=C(NC1CCCCC1)NC1CCCCC1,0.18041548183919223
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.09963278327190968
+Nc1nc(nc(n1)O)NC(C)(C)C,0.06459731156791694
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.18961029689557793
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.6635170228328904
+CN(N=O)C[C@@H](CO)O,0.9075495400029171
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0.020459009743444192
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.34497948777128584
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.19544298314783717
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,0.08601762779960188
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.3206030888974306
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.023091908841802844
+C=C=O,0.19346405953692336
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.8773873842534824
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.24245033730158205
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.28262227430472675
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.33599714345203846
+OC(=O)CCCCC(=O)O,0.07427547871724345
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.9321083629108444
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8404637875608997
+CC(OOC(C)(C)C)(C)C,0.10232133134809253
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.8996505489269618
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.625105266140064
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.9860148596513114
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.2062820889924634
+Cc1ccc(cc1)N(C(=O)C)O,0.7617505867872305
+[O-][n+]1ncc2c(c1)cccn2,0.12839113278839526
+CC(N)(C)C,0.15222471760944004
+O=C/C=C(\CCC=C(C)C)/C,0.12190948268435496
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,0.8939820855649088
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,0.7176624871812959
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],0.5194019486562275
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.9610665672490608
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.977215589410287
+ON(c1ccc(cc1)Br)C(=O)C,0.6242439270564152
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.46816897292235166
+Cc1ccc(c(c1)C)N,0.9648411643431619
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,0.6584752496696216
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.13190127976541333
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9830653532423763
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.9222022431428535
+CN1CCN(CC1)C,0.09820956676596089
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.9219285696744111
+N#Cc1ccc2c(c1)n(C)c(n2)N,0.8598587695038666
+O=CN(c1ccc(c(c1)Cl)Cl)O,0.35681090970524115
+OCCc1ccc(cc1)N(C)C,0.6094301365789343
+Cc1ccc(c(c1)N)C,0.8837176917499674
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,0.9691576698467693
+C1CCCC2C(CC1)O2,0.0838897990868926
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.9506477504259626
+CN(Cc1ccccc1)C,0.15373394392789877
+Nc1ccc(cc1)F,0.8483513841233042
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.05395624023765084
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9438899350223433
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.0711109837194928
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.8963262103399239
+O=NC([N+](=O)[O-])(C)C,0.30036853265515584
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,0.9085477521125599
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.35682567462805637
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.12444224585788259
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.3700787491788118
+CNC(=O)Oc1ccccc1OC(C)C,0.20092696349574893
+CCN=NC(OO)(C)C,0.9190299054823787
+CCOC(=O)OCC,0.07718692203739745
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,0.3608979933823265
+CN(N=Nc1ccc(cc1)Br)C,0.8619293340912904
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0.054715688195218236
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.08929069757086991
+CCCC(=O)OCCC(C)C,0.042724421958171124
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.7488460498004222
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.4498849682811371
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.09756149763978038
+CCCCCN(N=O)CCCCC,0.9295914467665797
+C=C1CC[C@H]2C[C@@H]1C2(C)C,0.06190059071354399
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0.04628902599085277
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.9784756472645608
+N1C(=O)C(=N#N)C=NC1=O,0.6116272960208532
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.785852057380843
+O=C(C(Br)C)NC(C)(C)C,0.8365471281975697
+OC(=O)CCc1ccccc1,0.07881993163910392
+[O-][N+](=O)c1ccc(c(c1)Cl)N,0.9705264681741516
+OC(c1ccccc1)CN=N#N,0.8473798770622116
+OCC#C,0.13375110474832688
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.9322182862271194
+N#CCCCCC#N,0.12558600062632785
+OC[C@@H](CCl)Cl,0.8947939694079559
+N[C@H](C(=O)O)CS/C=C/Cl,0.7629388445084725
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.09578174394729218
+Cc1cccc2c1nn[nH]2,0.3726346628151292
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.10175141101273513
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.5922572988254222
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.0801849244402782
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9926186257241224
+CCOC(=O)N(C)C,0.20193447050710514
+OCCN(C(=O)Nc1ccccc1)C,0.07458556602382854
+CC(NCC(c1ccc2c(c1)cccc2)O)C,0.30652340518983073
+Cc1cc2c(NC(=O)CCl)snc2cc1,0.8836886260476782
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.9444119369104043
+CC(NC(C)C)C,0.08173449652375986
+CCOc1ccc(cc1N)NC(=O)C,0.8729985748837813
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.048562304048180724
+Nc1ccc(cc1)N=Nc1ccccc1,0.9770014850127192
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.906577518978755
+NNc1scc(n1)c1ccc(cc1)N,0.9079061674564356
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0.07812789023067679
+COCCOC(=O)C,0.4104867944911485
+CCN(N=O)C=O,0.7985156566873536
+CCCC[C@H](COC[C@H]1CO1)CC,0.3919032074924099
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.37231563116028943
+COCCO,0.13199951346813987
+c1ccc2-c3c(Cc2c1)cccc3,0.9066061535627129
+COC(=O)C,0.33219256987939744
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.25012252708962646
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.9222285941006312
+ClCc1ccc(cc1)OC(=O)C,0.11046722098881373
+Cc1cc2c(nc1N)[nH]c1c2cccc1,0.9377866638364964
+CCN(C(=S)SCC(=C)Cl)CC,0.2471743026216236
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.06596191120793235
+[O-][N+](=O)c1cncn1C,0.9304014388274359
+CC(CCOC(=O)CC(C)C)C,0.07013068951914879
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.23207916595216002
+Nc1ccc(cc1)Oc1ccccc1,0.8930810317393798
+OCNC(=O)c1ccc(cc1)Cl,0.12586376820626496
+CNc1ccc2c(c1C)nc(cn2)C,0.9221975804058736
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9678848009328058
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.19956806493206694
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9024741416625561
+[O-][N+](=Nc1ccccc1)c1ccccc1,0.47770325172564093
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.44594702923286483
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.15469013617494334
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9221230437248347
+COc1cc(OC)[nH]c(=O)n1,0.07169911428609978
+Fc1cnc2c(c1)cc(c1c2cccc1)F,0.589148410024934
+OCCCc1ccccc1,0.15703907227986175
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.8160840412491253
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.03558893012725793
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.14293157145093652
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.08906512563159089
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6159041081614112
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.8653655076439587
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,0.886367603190096
+OC(=O)c1ccc(cc1)C(=O)O,0.02314054257359159
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9868146014435248
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.11162811257193307
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9291562506263998
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.8929178271304296
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.09375559659414168
+CC(=O)Nc1ccccc1,0.47838594752002084
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.08607433636530049
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.9849743242016603
+ONc1ccc2-c3c(Cc2c1)cccc3,0.9887544756343142
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.16258577989680717
+NC(=O)c1ccccc1C(F)(F)F,0.023178817559537136
+OCCCNP(=O)(N(CCCl)CCCl)O,0.9464808512472825
+ON1CN(Cl)CN(C1)Cl.[K+],0.09164510830558792
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.12091873192667066
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.21458736654995936
+c1cnc2c(c1)C1OC1CC2,0.17288384698958595
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.7386007119911446
+OC(=O)CN=N#N,0.7626829689495364
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4750844865287725
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.24259620545239582
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.9769937462634106
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.8608262366227118
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.185627921181664
+Nc1ccc2c(-c3ccccc3C2)c1,0.9800173857422837
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.27543381393794836
+CCCC(=O)O,0.06766250495404698
+Nc1ccc(cc1)[N+](=O)[O-],0.9876525707096946
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0.2675435269935397
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.09945282175717518
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.11256535091782967
+Oc1cccc2c1nccc2,0.4379491403300785
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,0.1713245351101503
+Nc1cc2ccccc2c2c1cccc2,0.9523102868227821
+Clc1[nH]c(=O)c(cc1Cl)Cl,0.06831065061220241
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.8015486756523157
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,0.20433594253445664
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,0.9135948494161306
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.13455781345998677
+N#Cc1cccc(c1)[N+](=O)[O-],0.62086548938644
+NC(C(=O)O)CSC(C(F)F)(F)F,0.16358046258739592
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.06923092024622605
+COP1(=S)OCc2c(O1)cccc2,0.2503303795728575
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,0.06066371582592095
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,0.2405746511642343
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.09437437584135835
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.1071008792300522
+OC(=O)C(Oc1cccc2c1cccc2)C,0.132030655923253
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.1627388261691783
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,0.23899113519975895
+Cc1c(C)cccc1C,0.07559890864218852
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,0.8592471114740872
+Cc1c(N)ccc(c1C)N,0.9381042560358309
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.9825031784563891
+CCCCN(CCCC)CCO,0.05982506631254072
+NCCCCCCCCCCC(=O)O,0.07297203579189838
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.0861596464081518
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.9761486729752252
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,0.9623503776528556
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,0.23353654477829625
+Oc1c(O)cccc1O,0.16217043844580925
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2060871356599865
+[O-][N+](=O)c1ccccc1Cl,0.7764412548847015
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.09845283038943625
+N#N=Nc1nc2c([nH]1)cccc2,0.7089129222599995
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0.019025697136928445
+Nc1ccc2c(c1)nccc2,0.9266906962803797
+CCCCCCc1ccc(cc1O)O,0.08969778946306387
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,0.0730739562364274
+N#Cc1ccccc1C#N,0.09986751411668449
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.20073010868212515
+OCc1ccc(cc1)O,0.06977587708643435
+OC(=O)Cn1cncn1,0.05669991025073544
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.911537530877235
+[O-][n+]1ncc2c(c1)ccnc2,0.08865977657599118
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.8170299021512419
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.017984731169081114
+Nc1ccc(cc1)O,0.8348697275679244
+O/N=C(/c1ccccc1)\N,0.3595541293721547
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.8871553992107727
+O=C1c2ccccc2C(=O)c2c1cccc2,0.7076453601174271
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.1697513128701911
+OCC=C,0.2587077740318819
+C=CCOC(=O)CC(C)C,0.16501677968017264
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.156866883114232
+CC(=N)S,0.18932334678124754
+Cc1cc(ccc1N)N=Nc1ccccc1C,0.9860701531636267
+C[C@]1(OC1)c1ccccc1,0.7416377411162592
+Oc1ccc(c(c1)C(C)(C)C)O,0.032739539201162925
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.9108572927646192
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.057823740698740266
+C=CCc1ccc(c(c1)O)O,0.10830948530446748
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.048582966497973425
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,0.13802597538212802
+CC1=CC[C@H](CC1)C(O)(C)C,0.09476439578552946
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.922173948842797
+Cc1ccc(cc1)C(C)(C)C,0.039591912142277474
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,0.08606601742482753
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0.08615192573911191
+CCCCN(C[C@@H](CCO)O)N=O,0.891603790250117
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.12483772677926594
+NCCN,0.16078500356955
+Nc1ccc(cc1)Br,0.6730509360681078
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.08608766617714822
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.7441809455057546
+c1ccc(nc1)c1cccnc1,0.589793944702621
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.1480585427697536
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.086304764866982
+CCCCCCCC(=O)O,0.030662600351748292
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.9190970451159429
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.15587539090664562
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.9140191417495481
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.025889009208006665
+Clc1cc(Cl)c(c(c1Cl)O)Cl,0.03071235617173032
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.0935360109556534
+C/C=C/c1ccc2c(c1)OCO2,0.10005011130241762
+CCCn1c(OCCC)nc2c(c1=O)cccc2,0.16169038634359478
+[O-]Cl.[Na+],0.1359273012717399
+OCC=O,0.2827321846281219
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,0.1407978178297859
+O=c1[nH]ncc2c1cccc2,0.113650404927167
+C/C=N\O,0.16439056301388047
+CC1=CC(O)C2CC1C2(C)C,0.086036732646493
+COC(CC(=O)C)(C)C,0.21174159047259836
+Cc1cccc2c1cccc2,0.7900478321293722
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.7676491576113759
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9367717224156129
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.4869537794443909
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.16546470400154253
+OC1CCCCC1,0.027161102173310196
+BrC(C1=C(Cl)C(=O)OC1O)Br,0.9253016735604904
+Nc1cccc2c1cccc2N,0.8868798730266788
+CNCCCN1c2ccccc2CCc2c1cccc2,0.16039325001408694
+O=C(c1ccccc1)C(=O)C,0.24934241220136272
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,0.8328869936884641
+OC(=O)COc1ccc(cc1Cl)Cl,0.0527885785611254
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.7375070366433222
+CCOC(=O)CC(=O)C,0.054084535224452404
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.9537636171828278
+CCCCCCOC[C@H]1CO1,0.4576594364173632
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0.20757238912795595
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,0.32886256567088096
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.08610607528426133
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.91196395163476
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.0860925961475796
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.08614483413595109
+CC1(CO1)C(=O)N,0.6256089645215684
+OC(=O)CCc1c[nH]c2c1cccc2,0.09465309138101169
+CCOc1nc(ns1)C(=O)O,0.10346905458943084
+ClC([N+](=O)[O-])(Cl)Cl,0.27963574462704904
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.9744876513796412
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.8837673739990449
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.9221385385164758
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],0.9662476146012305
+CC([N+](=O)[O-])C,0.1450728131478861
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9864529667323142
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,0.6745655989567075
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.2907492383481638
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.08604417555717762
+C[C@H]1CN1,0.0908392371122556
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,0.8683191191688027
+O=CN(c1ccccc1)O,0.653197392521443
+COP(=O)(OC)OC,0.09353697134268803
+NC(C(=O)O)CSCCCl,0.9088597153209065
+OCCn1c(C)ncc1[N+](=O)[O-],0.9306181519068188
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.9425017345693111
+CCCC[N+](=O)[O-],0.13995346372675826
+O(Cc1cccc2c1cccc2)CC1CO1,0.9852347512775836
+ClC(=O)OCc1ccccc1,0.1601392815582498
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.9831264851491983
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.6725616896396236
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.971367624868227
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0.0682669834560695
+Nc1cccc(c1C)N.Cl.Cl,0.9081392824521437
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.97486591609659
+ClCC(=C)Br,0.5918077834842785
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.9222411258420341
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,0.45294313117137786
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0.9598296442848758
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.7855000335348963
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.9924702923231922
+COCC(=O)Nc1c(C)cccc1C,0.20261193252489126
+Nc1ccc2c(c1)s[nH]c2=O,0.8622184549480794
+OCCN(CC)CC,0.09602494935912981
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.2183466976927198
+NCCCN(C)C,0.08498614182671206
+Cc1cccc2c1ccc1c2ccc2c1cccc2,0.9233128341185384
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.1946969299632228
+O=Cc1ccco1,0.06280742735364495
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0.09188202761200011
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.06949916087987197
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.08230508979695308
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9221811780585889
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.8412955452087839
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.0860986884138682
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.17158929342293924
+O=NN1CCOCC1,0.9087422855463685
+Cc1cc(=O)[nH]c(=S)[nH]1,0.16422828181820798
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.0940559333609133
+Cl/C=C(/C(Cl)Cl)\Cl,0.9221248489702281
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.7527446358254627
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.05282197257579794
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9656566856043796
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9720918558216267
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8407479826305829
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.6969827851828226
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.9936472250217071
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,0.9868347405428859
+O=Cc1ccc(cc1)Cl,0.05324506254858704
+Cn1c2ccccc2c2c1cccc2,0.8811065688021873
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.9366519681358529
+CCCCCN(CCCCO)N=O,0.8571254559893062
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.059028283444859754
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9899107523841945
+ONc1[nH]cnc2-c1ncn2,0.9407246557728597
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,0.806469047883086
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.1109243919082561
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.894628620624225
+Nc1ccc2c(c1C(C)(C)C)cccc2,0.8064466254619529
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.08609391311887553
+N#Cc1ccc2c(c1)nc(n2C)N,0.8598587695038666
+Clc1ccc2c(c1)nc(n2C)N,0.7576406716927337
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.08600177866407761
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.8737687896808821
+O=NN(Cc1ccccc1)Cc1ccccc1,0.9523903041871169
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.47338968366386325
+Nc1cccc2c1nc1cccc(c1n2)N,0.9221894071799819
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,0.49243135466487864
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.8187180158786878
+Fc1cc2cccnc2c(c1)F,0.8975116533237278
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.341537368522061
+ClCCNc1ccc(cc1)C,0.8983301753453714
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.8564715008960924
+CCCCN(CCC)N=O,0.9627192118994676
+S=c1scc(s1)c1ccccc1,0.36829242360622805
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,0.874231784337657
+OCCC#N,0.13048091971460854
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.943672682034154
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0.9430046229665066
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.12134182237621215
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,0.08626429855472235
+CC(OC[C@@H]1OC1)C,0.9702529574256331
+CN.Cl,0.13174269261425842
+SC(=N/C=C/N=C(S)S)S,0.20767050209391344
+CC/C=C/C=C/C=C/C=C/C=O,0.9545762554515206
+CC(C(CBr)Br)Cl,0.9546773793008477
+CCCCOCCO,0.057669794808913225
+OCc1c2ccccc2cc2c1cccc2,0.83271128814336
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.1394209086072166
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.13773823881539893
+O[C@@H](c1ccccc1)C#N,0.09023005988291793
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9213705862668515
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,0.922058300884976
+Oc1ccc2c(c1N)cccc2.Cl,0.7031926215963136
+NCC(=O)Nc1ccccc1.Cl,0.32143451998806694
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.08605367750141098
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.903386553292773
+ClC(Cl)(Cl)Cl,0.17894425920029836
+OS(=O)(=O)c1cccc2c1nccc2,0.24378594388637634
+CC(=CCC1CCCC1=O)C,0.11099561042715413
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.13850830626925428
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.8153410132727391
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7884869907831022
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.06224958945115038
+COP(=O)(N1CCOCC1)OC,0.17610925583662382
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.351474869505969
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.2529820501679327
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,0.19414629946939407
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.07404716653048948
+COc1ccc(cc1)C=C,0.11484343849153496
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.8907246707328851
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.21057925642355893
+[O-][N+](=O)c1ccccc1C(=O)Cl,0.9901624876312377
+CC(Cl)Cl,0.12817403323881557
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0.08604701804268959
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.561284066374247
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,0.922127824340595
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.9467979235057242
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],0.659386373249899
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.9567160811925713
+CC(c1ccccc1)N(C)C,0.08612183159317892
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.04110641452881901
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.2079829466614059
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,0.0940808533041195
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.47296394205448994
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.9776211477180635
+CCCCCCCCOC(=O)C(=C)C,0.05263355565626411
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.7632187571289805
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.07243506203322696
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.9641249690007061
+O=CC=C(Cl)Cl,0.8735831058049108
+CC(=S)N,0.20767050209391344
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.9365233380991167
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,0.963444877835756
+O=C=Nc1cccc(c1C)N=C=O,0.479547188057878
+O=C(c1ccccc1O)OCc1ccccc1,0.07689589350348648
+C1CCC2(CC1)CO2,0.17599194598798942
+CC(C(=O)Nc1ccccc1)Br,0.7913437374414198
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.47296394205448994
+[S-]C(=S)NC.[Na+],0.13711656171581932
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.9024038684404302
+CN(C1Cc2cccc3c2c(C1)ccc3)C,0.8677019253385692
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.9602462858019936
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0.086161875285376
+O1CCOCCOCCOCCOCCOCCOCC1,0.09979607442053526
+C[N+]1(C)CCOCC1.Cl,0.10318664184072078
+OC1OC(=O)C=C1CCl,0.9138719104338104
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9251390680281131
+Clc1ccc(cc1)c1nc2c(o1)cccc2,0.060632099321245636
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.08822669942954844
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.0898861156611439
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.8929600454018125
+c1ccc2c(-c3ccccc3C3C2N3)c1,0.9843060752308448
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.8765769674635445
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.988568668175342
+OCc1c(CO)cnc(c1O)C.Cl,0.10411017489376051
+CCNC(=N)N([N+](=O)[O-])N=O,0.826847426802751
+C1CC[C@@H]2[C@@H](C1)CCCC2,0.04194307615180006
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9491659928499532
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.08163442268397232
+Nc1cccc2c1cccn2,0.9227659022515113
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.113795423039656
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9294286828142954
+CCCCCCCCn1sccc1=O,0.2204326880163783
+ClCCCC(=O)N(c1snc2c1cccc2)C,0.10458030879491689
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.26924591613401294
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,0.5138617540284259
+OCc1ccc(cc1)OC,0.14870720897294734
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.7300863828819721
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,0.97095812215435
+Clc1ccc(cc1)[N+](=O)[O-],0.9156116457688424
+Oc1ccc2c(c1)OCO2,0.1574991305999187
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.9221158915256569
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.9221277309708164
+ONc1ccc(cc1)Oc1ccccc1,0.8880549737543562
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,0.2027252362170554
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0.21168495815931387
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.9355948186284458
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.9860317187087321
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.08692076731713676
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.9930243639338677
+CCON(C(=O)c1ccccc1)OC(=O)C,0.8737178391897158
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.0876546916753673
+CCSCC[C@@H](C(=O)O)N,0.14676078731396253
+CC(=O)c1cccn1[N+](=O)[O-],0.3693872233700826
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.9951664124465879
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,0.8653080727057745
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,0.9221583953748804
+ClCCC(=O)N(c1snc2c1cccc2)C,0.18421037103558616
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.08615658790940667
+CCC(=O)Nc1snc2c1cc(C)cc2,0.3419628831227102
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.10754521333379788
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.4660434789721297
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.1728489746000245
+CC(=O)OCc1ccco1,0.26877747695091364
+C[n+]1cccc(c1)OC(=O)N(C)C,0.09408026867501283
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,0.1641567316404577
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.08601248913777625
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.9043225253863275
+[O-][N+](=O)/C=C/c1ccco1,0.10205783221359171
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.9726407564540734
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0.9571393164182962
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,0.4175944205353671
+CC(OC[C@@H]1OC1)(C)C,0.9602179463269478
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.08628606090802465
+CCc1ccccc1O,0.08157568901992439
+ClCC(=O)c1ccc(cc1Cl)Cl,0.2903288206410141
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,0.08513284835345139
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.07858339704839604
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.09373711295248095
+O=NN1CCN([C@H](C1)C)N=O,0.9034861613387153
+CC1=CCC(CC1)C(O)(C)C,0.09476439578552946
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0.13468528580922506
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,0.6249486455392929
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.37732747237293435
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.9221117547388021
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.7745739995199263
+OCN=N,0.24017274141232636
+Cc1c(N)c(C)c(c(c1C)N)C,0.7035161204495641
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8743071549763543
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0.12578655558775
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.31128841113832106
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.9710868542943752
+Oc1ccc2c(c1)oc(=O)cc2C,0.06354954593675634
+Fc1ccccc1,0.12260223081904426
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.9183969432832167
+CC1CCc2c(C1)occ2C,0.22370307646922133
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.1507552174514913
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.2756607674419445
+Nc1ccc(cc1)N,0.8902782885632392
+COC1OC1(C)C,0.3215940888089538
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0.8279624877644632
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.07699189505765365
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.9221338158806807
+CCCCCC(/C=C/C=O)O,0.7120200602902721
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.8002482878545968
+ClCC(=O)NCc1ccccc1,0.5763161077052454
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.07541431322488482
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.027556483638940536
+OCc1ccc(cc1)NNC(=O)C,0.49090007113649436
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.1968429562014964
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6233762972986937
+CN(CCN(c1ccccn1)Cc1cscc1)C,0.07696769386290052
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.21554064508616141
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.26837695883472773
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.3201180751106353
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.8970610033225143
+CCOc1cc(C=O)ccc1O,0.09115147867918676
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0.07605531444591694
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.07356902818218235
+COc1cc(N)ccc1C,0.9293746568830601
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.8726210284834427
+OCCN(c1ccc2c(c1)cccc2)CCO,0.4607025545379119
+CCOC(=O)[C@@H](C(=O)C)Cl,0.08614333360783943
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.895115206040079
+Nc1nc(N)nc(n1)Cl,0.06465024741688691
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.2121031476123127
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.0591048645031435
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.5312925916372198
+NC(=N)NC#N,0.26308398641391534
+N#Cc1ccccc1C,0.1026793053466977
+OC(=O)Cc1c[nH]c2c1cccc2,0.061414832273737376
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.7473709703847098
+Clc1ccc(cc1)Cl,0.0810662976979963
+CSc1ccc(cc1)Cl,0.0899562828936445
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.09545509614885068
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.06018718747975469
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0.216461481022738
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,0.8032185171898046
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.8764593235539845
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.16173735862338257
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.480479132069313
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.03849985491592136
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.1744140468086498
+CCOC(=O)NNc1nncc2c1cccc2,0.8900139724513197
+BrC[C@H]1CO1,0.9999931657815596
+O1CCOCCOc2c(OCCOCC1)cccc2,0.047307209726741226
+OC(=O)COc1ccc(cc1C)Cl,0.0705981234587916
+O=NN(Cc1ccc(cc1)C)C,0.9622093001498025
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0.09094587546227643
+C/C=C\C=C/C(=O)O,0.11918271267029981
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.237186706517486
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.08647630951635056
+ClCc1ccc(cc1)Cl,0.09993576079072405
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.9622589897052256
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.08647294237957759
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,0.891657764139963
+CN(C)C,0.15369650648984004
+CC(=O)Nc1cccc(c1)C,0.5529607899598978
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,0.10875634369302534
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.33315612448493365
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.08343348389034537
+CCCCCl,0.2511763865879694
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9286508189371383
+O=C1NS(=O)(=O)c2c1cccc2,0.05464168250347018
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.965432111294513
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.8355439548135901
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.08645957933546342
+O=NN1CSCC1,0.8209010988918857
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.08331862390346581
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.9810991180089014
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.12127460866825497
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.9149432675279459
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.25141939641606936
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.9632321598592072
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.20066860150781335
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.533846348326903
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.9224771341153025
+O1Cc2c(C1)cccc2,0.10817511513162056
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9689573769543255
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0.08085980038775516
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.988976340404272
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.9668117850708519
+Cc1ccc(cc1)[N+](=O)[O-],0.9451625756412395
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.2550674822627026
+CC(CON=O)C,0.7338130969578257
+Cc1ccc(c(c1)N)O,0.5940667298179867
+CNCC(c1ccc(c(c1)O)O)O,0.07815339617620788
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,0.6729101648509898
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0.26237409037955994
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.9225438572340834
+C=CC(=O)OCCCCCCOC(=O)C=C,0.05922798404398398
+ClCC(=C)Cl,0.672692611855994
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.9234776093650087
+NC=O,0.18432882664048922
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.08642971931669384
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.807928623830723
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.8456186868998246
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.12346639756450858
+ClCc1ccc(cc1)Br,0.06683269852834274
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.9060337989434581
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.9224216257284008
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.16425060704787084
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.9496830557576872
+Cc1ccc2c(c1)cccc2C,0.8157470686539947
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,0.10727032314731581
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.9576963211498255
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0.42040347951148127
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.418882441086955
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8437049020920626
+CC(=O)Nc1ccc(cc1)C(=O)O,0.29555448300487674
+c1ccc2c(-c3ccccc3C3C2O3)c1,0.922544001530445
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.9749907523678661
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.4080031583141325
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9533535115639533
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.2779440791061671
+O=C=NC1CCCCC1,0.10002021641919329
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.1932316927912916
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.7536074106911638
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.1509559843406393
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.7090455674903348
+N#CCc1ccccc1[N+](=O)[O-],0.5096371354024023
+OCc1c(CO)cnc(c1O)C,0.07799796873676942
+Cn1c(N)nc2c1cc1ccncc1n2,0.3037376156259423
+CC/N=[N+](/CC)\[O-],0.08644741556668044
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.270252743130414
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.14115229110167812
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.08966336441247122
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,0.051581160131320594
+Oc1ncnc2c1cccc2,0.21929080380375468
+ClC[C@@H](CBr)Cl,0.9818227603501087
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.9593634422088795
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,0.07822512140519465
+CCCCCOc1ccc(cc1)N=O,0.8379137246431918
+O=C(c1ccccc1N)OC1CCCCC1,0.06596166516772475
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9318550970293271
+Cc1ccc(cc1)[N+]#N,0.6173321875838117
+Nc1ccc(cc1)Cl.Cl,0.7656376700293195
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.978511589839209
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.9239511794641586
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.9077191432435582
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.6932572959155648
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9353654695134508
+CC(=O)Nc1snc2c1cc(Cl)cc2,0.304285816092018
+[O-][N+](=O)c1ccc(c(c1)N)O,0.9761598538783836
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.8540587375814133
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.8104301147617547
+O=NN1CC[C@@H]([C@H](C1)Br)Br,0.9442260064576466
+Nc1c2ccccc2nc2c1cccc2.Cl.O,0.9470557519796265
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.24955401704325983
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.949545572439586
+CN(C(=N)N(C)C)C,0.28042391129512173
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.8655265628783378
+COC1=CC(=O)C=CC1=O,0.07180114781710553
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.9632209587469813
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.0864070798680029
+CSCCC=O,0.16673508033818224
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.90435832220031
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.08637931860953198
+BrCc1ccc(cc1)CBr,0.2429992863287447
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0.07563014676360677
+ClC(=O)c1ccccc1C(=O)Cl,0.8761443953411108
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0.0427972443824232
+CC(=O)Nc1snc2c1cccc2,0.36366690450819367
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.9706179860373959
+[O-][N+](=O)c1ccc(c(c1)N)N,0.9955952923798261
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.9289768186689925
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.11444157945365861
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0.18450820658596115
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,0.8109356301457598
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.16689009561710774
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.9040390386329915
+ClCc1ccc(cc1)OC,0.2231278217681429
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0.49145787151827464
+CNc1ccc2c(c1C)ncc(n2)C,0.9225610120661338
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.41783997956921215
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.867680509862289
+Cc1cccs1,0.1097275393669733
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.9469226756405372
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.08433145765251693
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.9611251871620857
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0.4102311421772055
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.10495845472911548
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9854677150411062
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.810474844140294
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.09744978372671048
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.9538843137890683
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.9309996076742216
+CCC12OC2O1,0.13535144969512566
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,0.08641630323890659
+CN1CCN=N1,0.7663947693497751
+Cc1cc2ccccc2c2c1c1ccccc1cc2,0.9205059897408894
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.22419011445742357
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,0.9224365150609557
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.08643491888436071
+CC(=C)C,0.15972712068704178
+c1ccc(cc1)c1ccc(cc1)CC1CO1,0.9789854870513404
+O=C(C(F)(F)F)C(F)(F)F,0.18328730256123793
+Clc1c(O)cccc1Cl,0.040566019445535714
+CCc1cccc(c1NC(=O)C)CC,0.5217467872310374
+ClC(C[C@@H]1OC1)(Cl)Cl,0.8883836166385615
+Nc1cccc(c1)C(F)(F)F,0.250522136299935
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,0.9224465020244672
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.8245470822837468
+Oc1ccc2c(c1)nc(n2C)N,0.9012469270627809
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,0.5925355288331909
+CCc1ccc(nc1)C(F)(F)F,0.053531455057625695
+O=NN1CCC[C@@H](C1)O,0.9218165137269786
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.08637780121067416
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8657688237796608
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.2774771379654835
+CCOc1ccc(cc1)N,0.7925729844710986
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9334060665002907
+CC(=O)Nc1ccc2c(c1)nccc2,0.7883547179290944
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.5984849610546089
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.0795665796472781
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0.09757451075996856
+Clc1ccc(cc1)S(=O)O,0.122329828147419
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],0.9569616353449802
+Cc1cc2n(C)c(nc2c2c1nccn2)N,0.918439857850505
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9560830035358717
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0.08647724656475489
+O=C/C=C/C=O,0.8904813268657089
+Brc1cccc(c1)[N+](=O)[O-],0.7950008915417754
+ClCCN([P@](=O)(O)N)CCCl,0.9309044059261172
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,0.8802720763583398
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0.1293689623265165
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.3909644767646564
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8753936009299947
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.17502658019355388
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.9943578088214294
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0.8762607710735109
+O=C1CCc2c1ccc1c2ccc2c1cccc2,0.9186467817778297
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.1077113977614466
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0.04618682303972517
+CCCCCCCCC=O,0.045654357377163564
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.9832214766708891
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.8794189320995391
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.2705010034307285
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.1494215023160194
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06341024988991173
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.9103137108895948
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0.11940659988357545
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.3731431366806964
+CC(=O)OCCOCCOCCOC(=O)C,0.33067406278651923
+O=CC[C@H](CCC=C(C)C)C,0.08639288501423176
+CC(CC(O)C)C,0.08640754621695462
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.6026086358076459
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.086394555474242
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.11974765322597282
+N[C@H](C(=O)NCC(=O)O)CS,0.6923508285710057
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.40436547093012126
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.17812925526455836
+OCC(Cc1ccccc1)CN=N#N,0.7990552523139552
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.09904670568581943
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.09631488635159396
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.14115229110167812
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0.04939645406525271
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0.1393889574639103
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.5804798114180033
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.8741379246704291
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.6434406405871641
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.9224677493583219
+OC(=O)C[C@@H](C(=O)O)Cl,0.05792409520982852
+O=C1NC(=O)C(=C1Cl)Cl,0.5786246280308085
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.237186706517486
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.13927476091635407
+FC(OC(C(F)(F)F)Cl)F,0.16402009905418766
+COc1ccc2c(c1)nc([nH]2)N,0.646566572058555
+Fc1cccc2c1ccc1c2nccc1,0.9355942161699307
+O=Cc1ccccc1[N+](=O)[O-],0.8942052302119037
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.9224902780059275
+Nc1ccccc1c1ccccc1,0.9225051842055317
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0.08642188928938917
+CC/C=C\C#N,0.16664390605747356
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.860294983535345
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.1469129580531229
+O=C1CCc2c(O1)cccc2,0.13654214386932906
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.8334599531899936
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.09536158108108533
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.9747766905340535
+Nc1cccc(c1C)N,0.9132281382871369
+ClCCOP(OCCCl)OCCCl,0.6672934226945284
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.17778614435505885
+CCSC(=O)Cl,0.3017104729965322
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.19063839240309588
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.15433590597636718
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.10737627092314853
+NC(C(=O)O)CSC(C(Cl)F)(F)F,0.17579909696515936
+ONc1ccc(cc1)/N=N/c1ccccc1,0.9847162664676233
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.9433938747486819
+Clc1ccc2c(c1)cccc2,0.37652460592991766
+ClCC[N+](CCCl)(C)[O-],0.7594545886510214
+COc1cccc(c1O)C=O,0.08619357120163307
+O=C1CSC(=S)N1,0.3406552889435018
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.8688436661506422
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0.4111914532796231
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.792587167238695
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9413106388759975
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.2504298253692102
+FC(=C(F)F)F,0.1979414471107356
+CNc1ccc2c(c1N)nc(cn2)C,0.8248444518647181
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.3126449015565976
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.922564195870904
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7120085020647069
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,0.8983226875026312
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.9866986241520463
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.8099572531631766
+COC[C@H]1CO1,0.9663680791229236
+Oc1cccc(c1)Cl,0.04686528240106605
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.97472020783179
+ON1C(=O)CCC1=O,0.25034344642763073
+Oc1ccccc1c1nc2c(o1)cccc2,0.21355459015641945
+CCOC(=O)CBr,0.15656464444092819
+C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0.0928218755850464
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.7296610411281669
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.11970331473720665
+ClCc1ccccn1,0.11801733991111119
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.12915147292518248
+NC(=O)NCC(=O)O,0.28976837229520697
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.9498970846926807
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.962808422833701
+ONc1ccccc1c1ccccc1,0.9469229708285525
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.1342242446140713
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.9012858579949503
+NCCCl,0.8363845748267257
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.08643127242321044
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.12106060629847509
+O=C1C=C(N)c2c(C1=O)cccc2,0.7297410741742089
+Clc1ccccc1Cl,0.02008489462614406
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.8443942865871225
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.49290771194697663
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.9224650776633703
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.08642179071413102
+CC1c2ccccc2-c2c1cc(C)c(c2)C,0.9225152858871314
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.908134378120737
+Clc1nncc2c1nccc2,0.17009305839820743
+CC(=O)NNC(=O)c1ccccn1,0.35183117866437963
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0.5664457548551785
+NCP(=O)(O)O,0.14912875436497336
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.8351725212752812
+Nc1cc([N+](=O)[O-])c(cc1C)N,0.9706746516407504
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.18130066731267866
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.08629201010562762
+OC(=O)[C@H](O)C,0.10446375598493855
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,0.7689682405826657
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.1201730880589438
+Fc1cccnc1,0.13366227945542275
+Oc1cccc2c1C(=O)c1ccccc1C2=O,0.9562257015003408
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.8120982422639792
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.08644870648263024
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.9236565502565539
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.07638665734914414
+NCCCNCCCN,0.08603666943468972
+Oc1cccc(c1)[N+](=O)[O-],0.860422993246585
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.10230943450882361
+CN1CCOCC1,0.06853437422777839
+C1CCC2(CO1)CO2,0.3502852071509293
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9648649864654321
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.9286508189371383
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.2838367238096064
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.9028789879404785
+Cc1cncc(n1)C,0.08892406839275728
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.6359493963847126
+c1cc2ccc3c4c2c(c1)ccc4ccc3,0.7749199622217585
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.1420661296505073
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0.915111085457768
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.08638036037507814
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.1272696401571536
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.143503285458201
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.9467802517651659
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.9141788857807229
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9726849598915098
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0.8142774456470994
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.419788556325764
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.9224338973422355
+COc1cc(CCC(=O)C)ccc1O,0.1649946969295707
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.9074489191658475
+O=C(Nc1ccccc1)Nc1ccccc1,0.05589645640635286
+CC(c1ccccc1)C,0.07053225753680915
+COc1ccc(cc1)CCC1OC1,0.9224435100367898
+n1ccc(cc1)c1ccncc1,0.14376339485450187
+O/N=C/C1N(CCN(C)C)C=CN1C,0.10359637383675054
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0.7020314339662451
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0.24861373990546953
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.5563325690405053
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0.10492069867393922
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.9225148666335926
+OCC(C(C(C(C(=O)O)O)O)O)O,0.10354049293435465
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.9224565252577883
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9795526736838558
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.06220900622135246
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.8981223559310053
+Nc1ccc2c(c1)ccc1c2cccc1,0.9787502294244838
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0.20272138807738024
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],0.08613368592250517
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.87286410775544
+OC(=O)C(Cn1cncc1)N,0.13182917368049474
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,0.977108074586227
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.8156386309899457
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,0.7601332273874601
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0.14407290506839068
+C=C[C@H]1CO1,0.579936111931584
+C[N+]1(C)CCCCC1.[Cl-],0.09365063525724023
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.9697246080518781
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.09727029343234604
+OCCc1c[nH]c2c1cccc2CC,0.3016790348695543
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.9840275908664378
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.11292705452230967
+CC(=C)C1CCC2(C(C1)O2)C,0.14756576932245666
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.30722371512337565
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.10565508484829175
+CC(C(=O)NCc1ccc(cc1)Cl)Br,0.8049560656994941
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.41200078554572356
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,0.6972569712732677
+Fc1ccc2c(c1F)cccn2,0.8798877699821437
+ClCCC(CBr)Br,0.9747048822424899
+Nc1c2ccccc2cc2c1cccc2,0.9033014683298928
+BrCC1=C(Cl)C(=O)OC1,0.8930280449511934
+C(C[C@@H]1OC1)CC[C@@H]1OC1,0.5633132541696655
+OCC(=O)O,0.09048902329548342
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.24666765675720756
+COC(=O)c1ccccc1O,0.050392665522161054
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,0.870770953405528
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.10199630142015563
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0.0918216512078324
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.9832214766708891
+Cc1cc(cc(c1)C)[N+](=O)[O-],0.7876786539895967
+OCCCCO,0.1833248424519385
+CNC(=O)O/N=C/C(SC)(C)C,0.08647590992473957
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0.08641189297629406
+OC(=O)CC[C@@H](C(=O)O)N.[K+],0.09408100541101243
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.8049560656994941
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.9697922123380013
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.08698261200765285
+NC(=O)N/N=C/C(=O)O,0.19874048569592395
+Oc1cc(O)cc(c1)O,0.09643963070305576
+CCCN(CCC)CCC,0.061640261604894026
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.49433836039460427
+CNC(=O)N(c1nc2c(s1)cccc2)C,0.22526971087695177
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9023351130195236
+C=Cc1ccccn1,0.13797351662504034
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.8466394674267106
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,0.9224600877443377
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.2239741163685268
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.13327330558230255
+NC1CCCCC1,0.061390372582478286
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.46210770705771714
+Nc1ncnc2c1ncn2Cc1ccccc1,0.8508552509450156
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.93993083246378
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9648020744119862
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,0.8645800736192172
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.782699441448793
+CCCCCCCCCCCC(=O)O,0.025640633007523995
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.8422615955221792
+O=NN(C(=O)N)CC(=O)O,0.9042275473695173
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.9209966941493548
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.9231038268287128
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.29299887108952244
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9892852810265543
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,0.4629562677025604
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,0.23352378116507802
+C/C=C/C=C/C=O,0.9224996168713216
+ONc1ncnc2c1nc[nH]2,0.9464135159614014
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,0.11171211843045875
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.9908384845313207
+CCCCCCC(=O)OCC,0.031999038999240295
+N#CC1=C(SCCS1)C#N,0.17057974421403332
+CCN=NO,0.8428048190275411
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.17975438471717559
+C[Si](O[Si](C)(C)C)(C)C,0.11053127803860552
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.26093913118239503
+C[n+]1c2ccccc2cc2c1cccc2.Cl,0.9343111793819708
+CCOC(=O)CC(C)C,0.08445935200137607
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.9122247566043729
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.9224979886582426
+O=NN1CCOC(C1)O,0.9225186767114439
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.7019525102981387
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.9506977793029844
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.08647525101097019
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.9571041751772529
+Nc1ccc(cc1)c1ccc(cc1)Cl,0.8674956037878222
+OS(=O)(=O)ONNCCc1ccccc1,0.30306234388063646
+CC(=O)OCc1ccc2c(c1)OCO2,0.49052015325125004
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.9549988863654164
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.09212387968679105
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0.016826022244192926
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.808495957181345
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.735019331681218
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0.9246661851975494
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,0.341873804303277
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,0.913867953417186
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.6082825011884694
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.8550835266370337
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,0.9224841154292259
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0.09621166332681194
+COc1ccccc1N,0.9540553561462773
+CC(=C)C(=O)OCC(C)(C)C,0.09790942121962319
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.5646639650951402
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.860767735866866
+CCOc1ccc2c(c1)sc(n2)N,0.5286218524998219
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,0.8310064503760874
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.1897963006934459
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.961018716950823
+OCCOCCOCC,0.07960256650508721
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.8067980021398153
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.8885818204367654
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.0653868610157759
+NCC=C,0.12773371849403778
+Cc1cc(C)c(c(c1)C)N,0.6955848762044315
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.09252133848424297
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.2015783645369739
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.23305211198022813
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9224474051318878
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9450145031586925
+N1C2C1c1cscc1-c1c2csc1,0.9000172502188761
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.1413119879574834
+C=CCc1cc(OC)c2c(c1)OCO2,0.061560067220066815
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.9547144975343692
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.08643885269250609
+CCOC(=O)CNC(=O)C=[N+]=[N-],0.5826394192698564
+Clc1ccc(c(c1)Cl)Cl,0.03479928185880977
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9221488769588592
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.9224773154151853
+COc1cc(/N=N/c2ccccc2)ccc1N,0.9873728878410106
+CC(Nc1nc(O)nc(n1)O)(C)C,0.08548365814934959
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.25300832859269934
+CC(Cc1ccccc1)N,0.1493864304446041
+Cc1cccc2-c3c([C@H](c12)C)cccc3,0.9225173034933314
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.2260280092931941
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.9562257015003408
+C[C@@H]1O[C@@H]1C,0.23364276411476917
+OCCN(N=O)CCO,0.9713946566585158
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.08647711949386988
+[O-][N+](=O)c1cccc2c1snc2Cl,0.9095054428755021
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.947484225886801
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.878830480505523
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.9224633656890924
+O=Cc1cccc(c1Cl)Cl,0.03845542337357354
+[N-]=[N+]=NCCC(C(=O)O)N,0.8527479666111708
+CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O,0.9208299231683545
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0.08637048863188813
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.08642622156259692
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.07001861727087054
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,0.9549954610119952
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.13903895740439448
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.9735388141565258
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.0309267383951675
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,0.9944714684626048
+COc1c2cc3OCOc3cc2nc2c1cco2,0.9164529630508983
+c1ccccc1,0.11449857874692124
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.7097133656138914
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.9747404393613145
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8943107092540831
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.913867953417186
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.953668592757196
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.9360149887112499
+[O-][N+](=O)[CH-]CCC,0.13884446863628533
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.17535739922295374
+Cc1ccc(cc1)N(C)C,0.6747756864666367
+C[Si](N[Si](C)(C)C)(C)C,0.2060225409411372
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,0.15218412627565317
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0.7868963030927709
+Nc1cccc(c1)N,0.912016154060286
+Cc1cnccn1,0.05614374088382799
+O=CCC(C)C,0.09912581138841993
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.37153907645481166
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.7940138317324159
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,0.8379285629107575
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,0.8723852105184471
+C[C@H](CN)O,0.09555230730446496
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.09228534678522138
+OC(CO)CN=N#N,0.9634288080808031
+N#CCc1ccccc1,0.12848440395193841
+OCCN1CCNCC1,0.10038988603210296
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.9626673388471424
+ClCCSCCCl,0.9383511980373833
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.0876788134089607
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.8153922181622084
+C/C=C\c1ccc(c(c1)OC)O,0.0864334294196782
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.3506969567502804
+OC1c2ccccc2Oc2c1cccc2,0.1181640469048736
+ClC#N,0.2060225409411372
+CC/C=C/1\OC(=O)c2c1cccc2,0.18130084298460725
+CC(=O)Nc1ccc2c(c1)cccn2,0.7261346824296746
+CC(=CC1C(C1(C)C)C(=O)O)C,0.0862515635168973
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,0.08645730378964336
+[O-][N+](=O)C,0.4603694409592043
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0.08637162797793621
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.11008539862999553
+ICC[C@@H]1OC[C@H](O1)CO,0.8100560333491217
+CCCCCCCCCc1ccc(cc1)O,0.05597672880154656
+O=c1[nH]cc(cc1O)C(F)(F)F,0.06295327542082023
+C1CCC(CC1)NC1CCCCC1,0.06724149851864647
+[O-][N+](=O)c1ccc(o1)c1cscn1,0.9266807792299095
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.15366905465403075
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.17154660940968167
+Oc1ccc2c(c1)cccc2O,0.608624873055721
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.3172952480647599
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.12391724367551854
+ClCCNC(=O)N(CCCl)N=O,0.9868507914786604
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.9739197853426377
+Nc1ccccc1C(F)(F)F,0.38702781985012297
+Fc1cnc2c(c1)c(F)ccc2,0.6676340893575995
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.9497088646952457
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.26981507228536616
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8230372298935084
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,0.9224905753599286
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.9232026825602417
+NS(=O)(=O)c1cccc2c1nccc2,0.1499684105228705
+OC1C=Cc2c(C1O)ccc1c2cccc1,0.9209966941493548
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.18151540985307965
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.9832107354822408
+OCC([N+](=O)[O-])(CO)Br,0.4586696574919567
+[O-][N+](=O)[CH-]C,0.22910108164998857
+N#N=NCC(C(C(C(C=O)O)O)O)O,0.8903549366816625
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,0.9661057533540512
+CCC(=O)N(c1ccc2c(c1)cccc2)O,0.8455881199729087
+N#CC(=C(C#N)C#N)C#N,0.17650697044879043
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.9761055558223714
+CCc1ccco1,0.1109780051003985
+[O-][N+](=O)c1ccc2c(c1)cns2,0.9645704888682921
+OC(=O)c1cc(Cl)cc(c1)Cl,0.029310868386749067
+FC(C(Cl)(F)F)(Cl)F,0.1488284266875065
+O=Nc1ccc(cc1)O,0.8628640130599617
+OC(=O)c1ccc(cc1)C,0.05597195738524885
+CC1c2ccccc2-c2c1cccc2,0.9419204394897208
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9224140679003991
+NC[C@H](N)C,0.10759779417025768
+CCN(C(=O)Cc1ccccc1)CC,0.10996434026492481
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.06536695074529447
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.9036723007759943
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.3946973231984829
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.765252090310457
+CCNc1cc2oc(=O)cc(c2cc1C)C,0.17528205432435717
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.9792433766119126
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.0866861290968246
+CC(=O)Nc1ccnc2c1cccc2,0.6155195993118324
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.8227114284060336
+COC(=O)c1ccccc1S(=O)(=O)N,0.02752443715658094
+CCCCOC[C@H]1CO1,0.7776019332479533
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.08640241257907628
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.9265954892775357
+OC[C@@H](CBr)Br,0.9378620672734203
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.9224765742977706
+OC(=O)CS.[Na+],0.07489980538071354
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,0.7278440229632754
+CCCOC(=O)c1ccc(cc1)O,0.021951326021296208
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.051148722137075844
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.0918443979424561
+NCCCNCCCCN(N(N=O)O)CCCN,0.33763480839853127
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.9724111711555933
+C1C/C=C/CCC2C(CC/C=C\1)O2,0.20272138807738024
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.9659502586202687
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.7457490920134558
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.8428554868095395
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.9605364529936752
+COc1cc(/C=C/C(=O)O)ccc1O,0.06942316169896208
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.10371792274723016
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.8858168778927201
+CSCCl,0.1620568066003185
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.957257978740142
+CC(CN(CC(C)C)CC(C)C)C,0.10063669742975313
+Cl[C@@H](c1ccccc1)C(=O)Cl,0.8759489050274003
+C[C@H](C(=O)NCC(=O)O)S,0.25025485432746647
+Oc1ccccc1c1ccccc1O,0.6066709557009999
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,0.10516922746107238
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.08638146461286389
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.8071223780295392
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.8259828427941952
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.9546763076656165
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9431739624334691
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,0.08634785410610683
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.37185260629642014
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9324688595804715
+CCCCN(CC(=O)CC)N=O,0.898383446082029
+O=c1ccc2c(o1)c1ccoc1cc2,0.13464820578013764
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.07287573467674369
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.6201819157976394
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.7530649728928547
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.08085834736577963
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0.1618370829254018
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.33947632429704416
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.06539568091235921
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9185705770501665
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.512330566662638
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.922451505649069
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,0.8330567051942237
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.1452590267503376
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0.5
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,0.38751628512244
+Clc1cc(N)c(c(c1)Cl)O,0.38699926816199803
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.9933675453250643
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.16499556275212066
+ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8617046625230886
+O[C@@H]([C@H]1CO1)CO,0.8671106019980171
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,0.11896018114128258
+OCC1=CCN2[C@H]1[C@H](O)CC2,0.07881183550514163
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.086413319032685
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.09206215403613854
+CCOC(=O)CC(O)C,0.06855346941478833
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.9375690460665888
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.984444174486608
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.9849879497069427
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.08640990242892121
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.9528278816265654
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,0.1627179642576411
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,0.15137513165170383
+O=NN(C(=O)N)C[Si](C)(C)C,0.8973970687121454
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.9200976551059104
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.13301592093294712
+NC(=O)c1c(Cl)cccc1Cl,0.08115632907010589
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.40739265935944363
+Ic1cc2cccnc2c(c1)C(=O)O,0.16761021304810825
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.10325637799045936
+OCc1ccc(cc1)[N+](=O)[O-],0.8103269142672055
+c1ccc(cc1)Cn1cncc1,0.1696275427395121
+OC(=O)CC(=O)O,0.08769266739622594
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.3300318685448001
+CCCCCCCCCCCCCCCCN,0.05267723755806443
+OC(=O)CCCCCCCCC(=O)O,0.04918883697610889
+Clc1ccc(cc1)CC[C@@H]1OC1,0.8496810551796722
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.06498275072569186
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.9610352761089095
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.9367423838157687
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,0.8997670821391943
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.8899136248203245
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,0.8873338094116698
+CCCCCO,0.04431746514463361
+CC(C(O)C)O,0.08565029922152669
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9829013699009433
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.09683806017809096
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.9538419567011738
+OS(=O)(=O)c1ccccc1,0.006819435712677955
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.9298562522809573
+ClCc1cccnc1,0.09395723158193328
+CC(=O)N(C)C,0.36051319494369544
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,0.30723582459358717
+CCOS(=O)(=O)c1ccccc1,0.2313704972883431
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.9590927757002934
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.9225338734935005
+C=CN=Nc1ccccc1,0.6358407943000407
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.7195665511865217
+CC(=O)N(c1snc2c1cccc2)C,0.24183197568404313
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.06437558769466299
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.0526105979612907
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.14250124633336672
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.1821025477903653
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.46802227793348006
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.08642934502238979
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,0.9174503313578424
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.6553052642173237
+OCC(CO)O,0.14218219120637168
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.6786561448782453
+Cc1c[nH]c(=S)[nH]c1=O,0.09592638192509804
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0.17456286618274125
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.21782789764309915
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.22459719980930526
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.7688635386831154
+CCNc1nc(NC(C)C)nc(n1)Cl,0.08413755791299306
+CC(C1CCC2(CC1)OC2)(C)C,0.08643844883818662
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.9220618318625067
+COc1cc(N)c(cc1N)[N+](=O)[O-],0.979713447770102
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.08642062465612607
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.10574903862962422
+Clc1nc2ccccc2nc1Cl,0.24306722472607517
+O=C/C(=C\c1ccccc1)/C,0.3542125364718825
+C[C@H](c1ccccc1)O,0.16321338299084714
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.09313807881754424
+ONC(=O)Cc1cn(cn1)N=O,0.6347962608712474
+O=C1C(O)CC(N1C)c1cccnc1,0.13065498698452058
+Clc1cc(Cl)c(cc1O)Cl,0.025400122411786855
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.8573458095352273
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.7373266868962345
+Nc1ccc2c(c1)scn2,0.7759882922280454
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,0.8664643230783853
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.10479020260554787
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.3881471354987853
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.8422112719905047
+c1scc(n1)c1nc2c([nH]1)cccc2,0.19411234227518165
+Clc1ccc2c(c1)cc1c(c2)cccc1,0.5759308027376414
+CC(=O)Nc1cccc(c1)O,0.4445816419971268
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.0626912019234322
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.9488868627436381
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0.5095128978533284
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9808854330800779
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.9018465036184073
+C[N+]1=CC=C(CC1)c1ccccc1,0.4854868283332272
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.4276518713211632
+[O-][N+](=O)C1CCCC1,0.15383776198440172
+Cc1cccc(c1)N.Cl,0.7964855607607386
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.5150131256037178
+ONc1ncnc2c1ncn2C,0.9568972182162092
+ONc1cccc(c1)c1ccccc1,0.9620690711183654
+O=CC=CNCCCCC(C(=O)O)N,0.48587298087555486
+O=NN1CCC(=O)NC1=O,0.9065183430853907
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.9646932567614287
+[O-][N+](=O)N(C(=N)NN=O)CCC,0.7472145552306746
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0.92317886346836
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.9219410383757346
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.6341879907414165
+OCC(C(CO)O)O,0.21019346938595496
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.7509056659658238
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9799012550121147
+NCCS(=O)(=O)O,0.09384078788475171
+[O-][N+](=O)c1c(C)cccc1C(=O)O,0.7580242908912329
+COC(=O)COc1ccc(cc1Cl)Cl,0.08211193111233966
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.9827022372910463
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.08643866224926727
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0.8437049020920626
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.9405912951903701
+Oc1ccc(cc1)c1ccccc1,0.3214467247620776
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,0.8995918263055186
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0.1627179642576411
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9291007330938155
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9594405668921452
+O=C1NS(=O)(=O)Cc2c1cccc2,0.19973496243699543
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.2705010034307285
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,0.9225492969503443
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.10673401768131896
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.0764198295703836
+ClCC(CBr)(Br)C,0.6648328067752779
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.08338375958559618
+COC(=O)C(=C)Cl,0.5302609042100628
+Cc1cccc(c1N)C,0.7440893696679661
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,0.9699153966095342
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0.08599829366593209
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,0.6803094552835128
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.20636777178986712
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.93993083246378
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.8775626943899192
+NCc1ccc(cc1)CN,0.14510023474820655
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.29439212591024033
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8923051804831773
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.278394894832028
+ClCBr,0.2060225409411372
+C[C@]12CC[C@H](CC1)C(O2)(C)C,0.13928303699440592
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.09932040456354141
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.08633953255534595
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0.08643777733173677
+O=C1N(C)CCCN1C,0.1895320169039945
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5
+CCc1nccc(c1)C(=S)N,0.20505561802926975
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.08643448154587922
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,0.9869835442879856
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,0.8804218716187808
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.07338691053479089
+BrC([N+](=O)[O-])(Br)Br,0.4587977757122798
+CN(C(=O)C#N)C,0.14648114450496874
+ClCCBr,0.9724992992341374
+Cc1ccc(cc1)C,0.1482270307050954
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9864377264407964
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.5159704505996258
+COC(=O)c1ccc(cc1)C=O,0.03175155300834438
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.442017577238313
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.92209926914188
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0.0667405157320217
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9609538695854472
+OCC[N+](C)(C)C,0.12654547728825571
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.9725062306543499
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.7940138317324159
+CCCCN(CC(c1ccc(cc1)O)O)N=O,0.7982884262634994
+C=CC(=O)OCCCCCOC(=O)C=C,0.05922798404398398
+CNC(=O)ON(C(=O)NC)C(=O)NC,0.647449864832638
+Fc1ccc(c(c1)F)N,0.8828838959363834
+Nc1ccc2c(c1)[nH]c1c2cccc1,0.9854514878178724
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.11188741979488002
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.9297374596588662
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9961490857451822
+Oc1ccc(c(c1)O)O,0.13511982166985323
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,0.1303587062179167
+CCC(=O)NCc1ccccc1,0.6038686716330057
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.44573630850289225
+CC(=O)Nc1ccc(cc1)C,0.1626965095960151
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0.08646277209197982
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.4677158008130584
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.8610964923361839
+ClCCCC(=O)N(c1snc2c1cccc2)CC,0.4209004770865828
+CC(c1ccccc1)Cl,0.15044372828820984
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.09904174751037878
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,0.8272774943410269
+ClC(=O)c1ccc(cc1)C(=O)Cl,0.9253869038093365
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9879478626571312
+Sc1ncc(c(n1)O)C,0.07029920128541711
+OC(=O)c1cccc(c1N)O,0.09512552557930516
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9831573363868313
+O=C/C=C\c1ccco1,0.6217382944355628
+O=C1C=Cc2c(C1=O)cccc2,0.7734172334269139
+[O-][n+]1cccc2c1C=CC1C2O1,0.22506082943172628
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0.1765983901978961
+CC(=C)C(=O)OC[C@H]1CO1,0.9071278749566045
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9222800808394667
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0.040558348766376845
+CC/N=N/O.[K+],0.825408797290608
+COC(=O)C1=CCCN(C1)N=O,0.7607963494210548
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.08601164141497053
+N#CC1(O)CCCCC1,0.07865088512526323
+Cc1ccc(c(c1)N)[N+](=O)[O-],0.9726199403100708
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.9762179774182511
+CCOC(=O)C(C(=O)C)Cl,0.08849986434970387
+N1CCc2c(C1)cccc2,0.2090053855667197
+[O-][N+](=O)C(C(O)C)C,0.21226312619532534
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.9872135696428147
+CCCCCCCCC=C,0.05283650299351202
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,0.6726775737637357
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.5830458549361717
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.17322809934340208
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,0.0884181671751306
+CON,0.20661734521289943
+C=CC(=O)NC(CC(=O)C)(C)C,0.12077845119988906
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.6617151558770886
+C1COC1=O,0.19761987560940836
+CCCON=O,0.8824051617346154
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0.45114840505347475
+COc1cc(OC)c2c(c1)OC1C2C=CO1,0.9194230437528809
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.9280191087672643
+NC(=O)CCCCC(=O)N,0.24245430513537441
+COc1nc2c(CBr)cccc2nc1OC,0.5518412762309813
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.9592817774960906
+Clc1c(O)cc(c(c1Cl)Cl)Cl,0.025846188284997292
+COC(=O)C(NC(=O)C)CSCC(Br)C,0.886806662018151
+Cc1cc(C)cc(c1)O,0.06640364884595212
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.1736785652507747
+CC(c1cc(ccc1N)c1ccccc1)C,0.7683122926305609
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.08845195034766316
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,0.08842371820211913
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.8958383280555372
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,0.65068327631716
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0.07740638923393829
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.5803290273656169
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.9581616201922319
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,0.575405422251549
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.9771556151348552
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.16247767927737378
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0.07450528883878113
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0.1106470064578165
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0.04314194398488188
+C=CCOC[C@H]1CO1,0.9249866303171167
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.08854397596542127
+BrCc1cccc(c1)CBr,0.1573755870458146
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],0.7362238597525201
+Nc1ccc(c(c1)N)Cl,0.8777774180286504
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.7955560095016019
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,0.9323629989018596
+CC(N(C(C)C)N)C,0.16613358329733996
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.6776767601139463
+Nc1ccnc2c1cccc2,0.8905310273684814
+[O-][N+](=O)CCO,0.3334532702965339
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,0.8617448097959125
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,0.23541780448140825
+OC(=O)CCl,0.27239602362192955
+O=C(c1ccccc1)c1ccccc1,0.5412050836116978
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8835570355743911
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.8937311773563019
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.8843717204914537
+Nc1ccc2c(c1)c1ccccc1[nH]2,0.9843719460273511
+Clc1cc2ccccc2c2c1cccc2,0.9126850487431817
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.4933735198922058
+OCCCNC(=O)C(C(CO)(C)C)O,0.14901418677889763
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,0.08843400705548667
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.8698177473831933
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.2029858317311617
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.1277456620062882
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.6930562142540988
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.10436238274291991
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.7160885399886233
+N#Cc1cccc(c1)C#N,0.11642306952427456
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0.08490020546315231
+CCCCOCCOCCOCCCC,0.07431597837597376
+ClNc1nc(NCl)nc(n1)NCl,0.18755562239005683
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.908970670453499
+Cc1cccc2c1c1cc3ccccc3cc1cc2,0.9358746827984876
+Cc1cc(C)c(c(c1N)C)N,0.8146934888707413
+CCc1ccccc1,0.051535530309231255
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.9776933443522788
+Nc1c(C)cccc1O,0.6870270746682275
+O=CC(=O)c1ccccc1,0.5
+BrCCCBr,0.9305607249326363
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9706180334827705
+[O-][N+](=O)c1cccc2c1cccc2C,0.9723912269331374
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,0.47517049391806365
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0.3136039491273853
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,0.1201732642217267
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.11366668319197633
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0.21429136638267096
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.08838899880130535
+Cc1cc2ccccc2c(c1)C,0.792668319789313
+Nc1cccc2c1c(N)c1c(n2)cccc1,0.9659281185213839
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.9495879232547436
+[O-][N+](=O)c1cccc2c1nsc2,0.9236277896524219
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.9941291194608471
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,0.02570592053862301
+Clc1cc(Cl)c2c(c1O)nccc2,0.31450541312884794
+Oc1cccc2c1ccc1c2ccc2c1cccc2,0.8894329854233562
+CCCC[C@H]1CO1,0.08851158360613286
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.08846706161519584
+CCOC(=O)C(=O)C,0.20273292294173598
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,0.8078053024944115
+Cc1c2ccccc2cc2c1c1ccccc1cc2,0.9683089549045002
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.3661680343024409
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.13229540847815757
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.9513205617416586
+CCOC(=O)c1ccccc1C(=O)OCC,0.04035326742510083
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.864962694591682
+O=C1NC(=O)C(=C(Cl)Cl)C1,0.6572066681340452
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,0.03071927309210594
+ClCN1C(=O)c2c(C1=O)cccc2,0.1825956824370171
+[O-][N+](=O)c1cccc(c1N)O,0.8751837914123435
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.9502497557727665
+Nc1n[nH]cn1,0.2503631770652162
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.811553513775933
+COc1cc(ccc1O)CC1CO1,0.850441887766853
+Nc1ccc2c(c1)cc1c(n2)cccc1,0.9804400950140482
+C1OC(=O)C=C1,0.40367102394184173
+O=C1c2ccccc2C(=O)C1(O)O,0.16397479985072133
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9486341541938335
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.9797368963599337
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.96336695663728
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.9473474765176231
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.572304281896141
+ONC(=O)c1ccccc1O,0.5196265390635694
+c1ccc(cc1)Oc1ccccc1,0.23648851357044737
+Cc1ccccc1N.Cl,0.9225044579202282
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.8873798274462938
+O=NN1CCCCC1,0.9708208135472056
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.8403554792079969
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.11123079627987315
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.12284521212175566
+OCC1CC1,0.11194110754652502
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.15720590607668566
+COP(=O)(OC)O,0.1512107808408772
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.9680102448641895
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,0.2633757418563016
+CCCCN(N=O)CCCC,0.9708299301497451
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.09146983926344902
+CC(CC(=O)CC(C)C)C,0.14559673660763406
+Clc1ccc(cc1)C(Cl)(Cl)Cl,0.519625603988055
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.3201749117285994
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0.11789310834488657
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.057832351063980075
+CC(O)C,0.11253436509953336
+COCC(=O)O,0.11107106739547809
+[O-][n+]1c2ccccc2nc2c1cccc2,0.746030752714843
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,0.7892789898789855
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.9177859046855251
+CCC(=O)C(=O)CC,0.14278770554845083
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.8886422334382905
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.061892638742546476
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.07631845692730235
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,0.9222553915092089
+ClCCN(P(=O)(O)N)CCCl,0.9371403094256864
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9931196043212557
+CCNc1nc(NCC)nc(n1)Cl,0.10462856656544924
+CC[Si](CC)(Cl)Cl,0.22084241607020397
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0.13307967058891793
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.109066962301928
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.31524523676619876
+CC/C=C/[C@H](C=O)CC,0.07693530568528424
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.09489135233081784
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.295905514045767
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.0644228052576771
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0.2727228297695077
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.08843503942066663
+COC(=O)C=C,0.1336462973393373
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.07756105705951
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9947342810005829
+CC(=O)Nc1cccc(c1)N,0.88173651510651
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0.08845264768710841
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.922270165839906
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.8406630216309373
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.618310716611384
+Nc1cccc2c1nc1ccccc1n2,0.9223175005718898
+O=c1[nH]cnc2c1cccc2,0.36607941434545277
+O=c1nc[nH]c2c1cccc2,0.36607941434545277
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,0.234658774987557
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.8582823092407885
+N#Cc1ccc(cc1)[C@]1(C)OC1,0.7397720363411966
+Clc1cc(O)c(c(c1)Cl)Cl,0.05226227434401424
+OOC1(C)c2ccccc2-c2c1cccc2,0.9104905202034097
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.04282467991885615
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.662226628394432
+CCCCN(CC[C@H](O)C)N=O,0.885959893696953
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.1860457095713941
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.9222536829735526
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.9281987901838471
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,0.8653835917473727
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.629590843771597
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.08843514100107758
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.06572553680471838
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,0.07903503812882355
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.9606243904701653
+CC(=O)n1ncc(c(c1=O)Cl)Cl,0.10032819988361875
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.03120441863424383
+Clc1cc(Cl)nc(n1)N,0.0880627817268166
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.22743304232757308
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9553903274800151
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.9223506180258778
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.9712773993340303
+O=NN1CCC[C@@H]1c1cccnc1,0.7547663982960411
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0.08843040404803057
+CC[N+](=NC)[O-],0.22265733145622127
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9822250063752724
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0.4778507200098263
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0.10188961501336898
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.04669152676848895
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.14892725485432687
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.3785242949731923
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0.10964516639786902
+CC1=CC2CCCCC2c2c1cccc2,0.3305042476138822
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.08222566705403846
+O=C/C=C/c1ccccc1,0.8495505688590005
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.18557878883274817
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5103034260809626
+O=C(C1OC1)NCc1ccccc1,0.9222553290135217
+C/C=C/C1OC(=O)C=CC1O,0.5419294498136786
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.9510305114701645
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.08837348286159909
+O=C1c2ccccc2Cc2c1cccc2,0.2958160597452993
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.9786546221323564
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,0.9223431963906603
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9407996604213479
+[O-][N+](=O)c1cc2c(N)snc2cc1,0.9844914163840631
+CCCCCCCCCCCCCCCC[C@H]1CO1,0.08851158360613286
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.9222560043712473
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.18943587013974406
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.940161570080067
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.31444580601390676
+OCc1ccccc1,0.06092000422562769
+[O-][N+](=O)NC(=N)NC,0.826700318013287
+CCC[C@H]([C@H](CO)CC)O,0.016157509663920173
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6392484561736602
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0.13900426897932336
+COc1cc(ccc1O)C[C@H]1CO1,0.850441887766853
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.869415621896475
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.9218891588881103
+C[C@H](C(=O)NCc1ccccc1)Br,0.9384428848228449
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0.22738010851578638
+Cc1cc(=O)[nH]o1,0.13466754825541838
+Fc1ccc2c(n1)cccc2,0.5975907590917297
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.971099285101995
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.0663784680181515
+[O-][n+]1c[nH]c2-c(c1N)ncn2,0.9145154992092108
+[O-][N+](=O)c1ccc2c(c1)CC=C2,0.8566574987217035
+OC1C2OC2c2c(C1O)cccn2,0.16663385321116692
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.18358985472912231
+O=Nc1ccccc1c1ccccc1,0.9436103329688743
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.9328515805325499
+Cn1ccnc1S,0.448367855275562
+Brc1ccc(cc1)[N+](=O)[O-],0.9205570104693046
+C=CC=C,0.07662221723052197
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,0.031284937727345
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.9846585639823404
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.8382236674701732
+ClCCCN(C)C,0.37628672623497483
+CC([C@](C(=O)O)([C@H](O)C)O)C,0.06789315250781006
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,0.9341813917615869
+CC1=CC(=O)CC(C1)(C)C,0.07607983729747177
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,0.08108219490352239
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,0.9499122074634501
+Clc1cccc(c1)Br,0.04449410433445338
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,0.840965912793861
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,0.9836362860330975
+OCC(C(c1ccccc1)N=N#N)O,0.6430803509496688
+Cc1ccc(c(c1)C)[N+](=O)[O-],0.9053041990327176
+Clc1ccccc1S(=O)(=O)N,0.019528013752966783
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.9594674380973875
+CCCN(C(=O)SCC)CCC,0.0941356394630968
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.7361507076486649
+OCCN(CC(=O)O)N=O,0.7510538260339331
+O=Cc1ccc(cc1)[N+](=O)[O-],0.9449895929953188
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.4412096255641517
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.9494536897169953
+O=C(OC(C)(C)C)CN=N#N,0.6857748331677682
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.2165803014831053
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,0.9620055962790727
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,0.8077436452177881
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.9289651260075603
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9864365584945175
+CC(F)(F)F,0.10564023261268708
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.07963915814865395
+Nc1nc2c(s1)ccc1c2cccn1,0.8185135078198064
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0.14066414629031582
+Clc1ccncc1,0.06373832118659684
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.8828444262151943
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.871227298699982
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9264256822423237
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.7645135881183674
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.03606246463568558
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],0.8961191605292881
+[O-][N+](=O)c1ccccc1C(=O)O,0.8705043028252852
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.9368628750392006
+OCCN(C(C)(C)C)CCO,0.14226936260798226
+OC(=O)O.[K+].[K+],0.0876523135241206
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.24440753730028486
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.9229430324535249
+Cc1cc(nc(n1)N)C1CC1,0.08779332367366058
+BrC(C1=C(Br)C(=O)OC1O)Br,0.8840884691887824
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.9730931007112527
+Fc1ccc2-c3c(C(c2c1)C)cccc3,0.9223283585902383
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.920923657426483
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.08722241196617384
+[O-][N+](=O)c1nccn1C,0.9083780866304729
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0.1106470064578165
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.9227229620634364
+CC(=O)/C=C/c1ccccc1,0.23182981764725738
+Clc1ccc(c(c1)N)C,0.7204452434929253
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.7044642165458289
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.08839217570244239
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,0.8216913872725952
+O=Nc1cccc(c1)c1ccccc1,0.9787196177704728
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.25711571188158366
+[O-][N+](=O)c1nccn1C[C@H](COC)O,0.8713874023853581
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8971161319484892
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.15284030060407267
+Nc1cccc2c1c(N)ccc2,0.8340143592857752
+C(C1OC1)Cc1ccccc1,0.9279850937666655
+NCCN1CCNCC1,0.25913009994044517
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.9261552006871285
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.13286991915427784
+Nc1ccc2c(c1)cc1c(c2)cccc1,0.9560438357629539
+CC(=O)N(c1ccccc1C)O,0.20040916984807175
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.7043789105908793
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.18590565216012866
+CC1=C(C)C(=O)C(=C(C1=O)C)C,0.06431763924379835
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.922327627551734
+OC(=O)Cc1ccccc1[N+](=O)[O-],0.36497980845924577
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9940273174909683
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.9223218882268485
+[O-]S(=O)(=O)[O-].[Fe+2],0.11072957379143507
+CNc1nc2c(n1C)ccc1c2cccn1,0.9018625966622644
+CCCCCCCCCCCl,0.0897345103125308
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9873193662455827
+CNC(=O)Oc1cccc2c1cccc2,0.4371196484028931
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.08297899773232051
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.09770158574533043
+Nc1ccc(cc1)CCc1ccccc1,0.8360293442279904
+CNc1ccc(cc1)O,0.4273967537238188
+NNc1ccc(cc1)[N+](=O)[O-],0.9811336112051254
+C=CC(=O)NCCCN(C)C,0.10866802094079889
+O=C1OC2=CCO[C@H](C2=C1)O,0.4929502632533881
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.11902248913775806
+C/C(=C\C)/C#N,0.08844657060395418
+CCNc1cccc(c1)O,0.4203140040820501
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.9436028878349653
+C([C@@H]1OC1)Cc1ccccc1,0.9279850937666655
+CCSCCSP(=S)(OC)OC,0.13794101669476388
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.8170703747694832
+CC(C(=O)O)N,0.1716917067816152
+COc1ccc(cc1)CC1OC1,0.9432041549537262
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.3787029005698208
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.04669152676848895
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.10776147946531835
+CCCC[C@H](COC(=O)C=C)CC,0.06103215124160055
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.5606923745102469
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.1422004510092333
+OCNC(=O)NCO,0.11729893158522091
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.2051800391994197
+O=Nc1ccccc1C,0.8383507877085532
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9698159470019416
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.8456481326516689
+Cn1c(N)nc2c1cc1ccccc1c2,0.9478399497430363
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.08847268956166969
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0.3041188739880513
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.9524869544052772
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,0.9382250454105766
+NC(=O)[C@H]1CO1,0.8845706098832246
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,0.6258581591234619
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0.41278651457907795
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9738812297457333
+Cc1cc(N)c(cc1C)C,0.850414677178952
+OC=O,0.19201107776740495
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.967088588866779
+O=NN(Cc1ccc(cc1)Br)C,0.9028854045192315
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.9688247517892943
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.03912672686220229
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.08852256643607705
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.13125967534714902
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.08841953122434401
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.08841125973738252
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0.09795576174898199
+Cn1c(N)nc2c1c1cccnc1cc2,0.9242935935691898
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.8807222784223043
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,0.5237452284758133
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,0.9223322459475678
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.9223650108593484
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.9233060023489256
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.9807932466617815
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9768161399525866
+CC(C[C@H](O)C)C,0.0883976058816167
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.052776517670762295
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.2632069136391168
+Cc1cccc2c1-c1ccccc1[C@@H]2C,0.9494012168260707
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.989923232272064
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.981668521344682
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.17610494153415845
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,0.9932402320868114
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0.4638502328208398
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.03120441863424383
+NC(=O)c1c(Cl)ccc(c1Cl)O,0.11719553602164366
+CNC(=O)ONC(=O)C,0.565235547740753
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9671934877263981
+CP1(C)NP(C)(C)NP(N1)(C)C,0.20661734521289943
+COCCl,0.19732087901796713
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,0.8740976089278294
+Cc1ccc(c(c1O)C)C,0.10334030859072882
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.09519763943729939
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.9721385585857313
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.24726862958357068
+CCS(=O)CCSP(=O)(OC)OC,0.487561536533238
+OC1COC(=C(C1=O)O)C,0.6462269102568217
+ClCc1ccccc1[N+](=O)[O-],0.5299744125509931
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0.39559206481832215
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.8706266056323346
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.9579305686991476
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0.10057088997895962
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.9222675453322239
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.1734840134376482
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.9619735687302801
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.754676962002368
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.254678251815139
+CCCCN(CCCC)CCCC,0.057315023249767165
+CCCCCCCCCCC,0.032538386365543355
+[C-]#N,0.19201107776740495
+Clc1cccc(c1)[N+](=O)[O-],0.882557053568626
+Fc1cccc2c1cccn2,0.9370460639288436
+Nc1ccc(c(c1)N)[N+](=O)[O-],0.9933893284497499
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8824543135490828
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.9729890440976925
+O/N=C/c1ccccn1,0.11751926650058062
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.12307102406760864
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.9927816615330161
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.1215279231410406
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.767727338409331
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9935651524401429
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.10220840394056116
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,0.20226736698453252
+COc1nsc2c1cccc2N,0.9083501504967941
+CN(CC(=O)O)C.Cl,0.0980924194858932
+ONc1cccc2c1cccc2,0.9520865911016062
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,0.9441132319213916
+COc1cccc2c1nc1occc1c2OC,0.863239523627945
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6208559135158199
+CCO[P@@](=O)(N(C)C)C#N,0.08839696175415299
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9298222774614054
+Fc1cc2cccnc2c2c1cccn2,0.8719061912280025
+O=C1C=CC(=O)C1(Cl)Cl,0.22333147375010615
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.8789927961140492
+ClCc1cccc(c1)[N+](=O)[O-],0.6717494369371241
+CC(CNCC(C)C)C,0.09777100964892374
+c1ccc2c(c1)[nH]nn2,0.06317602478665742
+Cc1cc2ncccc2c2c1n(C)cn2,0.9095235572378702
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.924774406882642
+NC(=O)CN1C[C@@H](CC1=O)O,0.19178947264927623
+Cc1cscc1,0.23919669376770475
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9348900643204565
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.9672813375645057
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.922301108768803
+Nc1cccc2c1cccc2,0.9169563624299399
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.934633789593959
+Cc1cnc2c(n1)c1ncn(c1cc2)C,0.7548230505278135
+c1ccc[nH]1,0.07055673633494902
+O[C@@H]1OC(=O)C(=C1C)Cl,0.887969020205308
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0.08837983215851102
+CCCCN([C@H](OC(=O)C)CCC)N=O,0.8660518165090437
+Nc1ccc2c(n1)no[n+]2[O-],0.645909735017377
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.8755659731331069
+Cc1ccc(cc1)[C@H]1OC1,0.4200025570292909
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.11472727475379989
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08841238447544696
+[O-][N+](=O)c1nc2c(n1C)cccc2,0.964354092914048
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,0.9222918554952606
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9539671785925663
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.037537333409543724
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.2537537882520783
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.7994488871650535
+CC(OS(=O)(=O)c1ccc(cc1)C)C,0.21266199643379882
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.14870273962943018
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.9001561012142028
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.2406091837799376
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0.07847450700578426
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.7964725358490704
+C=COc1ccc(cc1)[N+](=O)[O-],0.9370676942312347
+BrCCCCBr,0.9598358363756282
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.922302964182613
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,0.2967552182902274
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.9504951278100937
+Nc1cc(Cl)cc(c1)Cl,0.4466900305202321
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,0.5565857786742601
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.5147618335643487
+Oc1c2ccccc2nc2c1cco2,0.6652010559818984
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.08849522566974319
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.9068103736632046
+Fc1cnc2c(c1)c(N)ccc2,0.5
+CC/C=C/C=O,0.8614364529249254
+OC(=O)c1cnccc1C(F)(F)F,0.029510958737132876
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.2377051391251564
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.14953619199420654
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5675639790685854
+CC(CN(CC(C)C)N)C,0.10954350289229722
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.10109248021054826
+COCCOCCOC,0.09408876379111214
+CCCCCNCCCCC,0.043630105830124305
+Nc1ccccc1Cl,0.5959950828985802
+OC(=O)CBr,0.15572996230365815
+CCCOC(=O)c1cc(O)c(c(c1)O)O,0.060966570762774876
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,0.9492674344257428
+OC(=O)[C@@H]1CSCN1,0.1428145000460756
+Nc1nc2-c3cccnc3CCc2s1,0.4475696491946179
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.46909157405235175
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.8083772725518439
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0.21845437122463043
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.8283528941007599
+NC(=O)Nc1cccc2c1nccc2,0.5896345039369648
+Fc1c(N)cc(c(c1Cl)F)Cl,0.4233417268298368
+OC(=O)CNCP(=O)(O)O,0.08757589768868829
+ONc1cc(ccc1C)[N+](=O)[O-],0.9843732907328001
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,0.8741185502452367
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.39604698857015747
+ClC/C=C/CCl,0.6966900573167382
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.21539714174705554
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.08848789187606385
+Oc1nsc2c1cccc2,0.39842789565591097
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.8807300534849976
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0.15392806356690103
+CCCCCCCCCCOC(=O)C(=C)C,0.04793233181790079
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0.10218999114688682
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,0.9076733950045843
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9769214945869443
+NC(=O)N=NC(=O)N,0.13827016927384075
+C=C1CC(=O)O1,0.14091289155348052
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.7348720492068066
+Cc1ccc2c(c1)cccn2,0.8928169926682784
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.9799101341316597
+CCOCOCC,0.11888063494564496
+C=CN1CCCC1=O,0.22766219363816095
+Clc1ccc(cc1)S(=O)(=O)C,0.062120515062051046
+[O-][N+](=O)[C@@H](CO)C,0.2927519480006534
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.07129944217622429
+OCCSN=O,0.29256384586649004
+CC1=CC(=O)c2c(C1=O)cccc2O,0.7884104839286714
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.117066601989168
+Cc1nsc(c1)N.Cl,0.6662899888204901
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.14412089058893873
+O=C1C=C/C(=N/C(=O)C)/C=C1,0.10385867788363481
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.7409095924439809
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,0.9205899165082055
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.9801302452106766
+O=C1C=CC(=O)C=C1c1ccccc1,0.13772069741881515
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0.18166542539671343
+NC(=O)c1ccc(cc1)[N+](=O)[O-],0.9385681386140856
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.3274453340790094
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9227316932087164
+CNC(=O)c1cccnc1S(=O)(=O)N,0.08894398517328758
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,0.9242088384373774
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.9731119000273508
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.9043662195050991
+OCC(CBr)(Br)C,0.3552349662874143
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.9449740164140337
+COc1ccc(cc1)C[C@@H]1OC1,0.9432041549537262
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.11226714946754238
+[O-][N+](=O)c1ccc(o1)C(=O)OC,0.9567887716571789
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.8926875428121294
+c1cc(OCC2CO2)c2c(c1)cns2,0.9223541660360254
+COc1cc(Cl)c(cc1Cl)OC,0.07428068134079575
+OC(=O)/C=C/c1ccc(cc1)N,0.6208228438617351
+Oc1ncnc(c1)O,0.08152641850878808
+CC(O)(C)C,0.1767394633590624
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.8426104756985573
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.8619866684991854
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.9603426635387935
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.8283195948261219
+ClC/C=C/Cl,0.9223200254595809
+[O-][N+](=O)NC,0.5623080800545832
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.2667222562664587
+COc1nsc2c1ccc(c2)N,0.921028689271356
+OC1OC(=O)C(=C1C)Cl,0.887969020205308
+CC1CCCC2(C1(O)CCCC2)C,0.06195544216045944
+Oc1ccc(cc1)C(=O)O,0.010982191944620504
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.9866562825523036
+FC(C(Cl)(Cl)F)(Cl)Cl,0.20661734521289943
+CCNC(=O)CC[C@@H](C(=O)O)N,0.08840898620862216
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.1700113152504597
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.08843775745433884
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.8349158608151487
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.855777355199434
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.08846296339024282
+CCCC=O,0.15590425260879087
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.06892812431447656
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9093748182096015
+O=C1NCC(=O)N1,0.30028274214342093
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,0.8986039628542899
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.06566146289696505
+CCc1cccc(c1N)CC,0.12164722974229639
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.4874449844320517
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.8808681312149821
+ICI,0.19201107776740495
+ClCCCl,0.6713611971216822
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,0.6693376034611749
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7567423322293796
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.2482546836188389
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9791328228329362
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.122888034228675
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.20842807170189656
+NNC(=O)c1ccncc1,0.18253348123836477
+c1ccc2c(n1)cnnc2,0.3583384256649778
+[O-][N+](=O)OOC(=O)C,0.23106607773088206
+NCCc1ccc(c(c1)O)O,0.2392079176804637
+COc1cc(N)c(cc1N)C,0.945319127370085
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.909702012792442
+Cc1ccc(c(c1)[N+](=O)[O-])C,0.672880707808368
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.08092881125741368
+COc1ccc(cc1)C1OC1C,0.23046060113690556
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.8552584113971275
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.1473108847070206
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.9223805118422338
+CCC(CC(CC(Cl)C)Cl)Cl,0.3755765612266928
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,0.03444614919582503
+C[C@H](CCC(=O)c1cocc1)O,0.2856324373724083
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0.6869898011930285
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.9401674790154698
+C=CC(=O)OCCCCOC(=O)C=C,0.07482960941214802
+COC(C)(C)C,0.3937897428470085
+CC(C=O)CC,0.08848674463020428
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.9748938617898443
+CCCCN(CCCCO)N=O,0.9554746360063566
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.8049717902976035
+Cc1ccc2c(c1)nc(n2C)N,0.9394753793521889
+CCNCC,0.0954105825307755
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9396490730835908
+O=NN(C(=O)O/N=C(\SC)/C)C,0.6899729396569185
+C[C@@H](c1ccccc1)CCc1ccccc1,0.1481274721118306
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9187319471699698
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.10296479562085914
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,0.9222868608928602
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.08699122935357553
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.10253234351313029
+CC1=CC(C)(C)Nc2c1cccc2,0.19745358297819227
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.9666933236563987
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0.9402172656098321
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.9433978377209888
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.5383116863388351
+COC(=O)c1ccc(cc1)C,0.05512471422959794
+Cc1ccccc1c1nc2c(o1)cccc2,0.1414844381484929
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.13089698286874005
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.07309849643045707
+Fc1ccc2c(c1F)nccc2,0.8557440338619045
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.8748487939896811
+COc1nsc2c1cc(cc2)[N+](=O)[O-],0.9621268966473165
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.08838726873503475
+Cc1ccc2c(c1)ccc(=O)o2,0.44077852672008505
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.9671934877263981
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.9222667723460802
+OC(=O)c1ccccc1S(=O)(=O)N,0.02774587025034872
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.444497746438684
+FC(C(F)(F)F)F,0.09662794317499908
+CN(CCOC(=O)C(=C)C)C,0.10016448290939046
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.9390286267300937
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.9174187846255564
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.8796166583259409
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.9223234970745223
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.9223016958415611
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.5631508858555242
+ONC(=O)c1ccccc1,0.6478906200966844
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9846187810735604
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9934835699107596
+COC(=O)C(Cl)C,0.16483542504326798
+[O-][N+](=O)c1cccc2c1nccc2,0.9357295775098882
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.5791918998417447
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.4295788296372737
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.17302453703685083
+Clc1cccc(c1)NC(=O)N(C)C,0.06528813539756294
+Oc1ccccc1,0.06300265690740585
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.9222861655305031
+C1CNCCO1,0.11837330149343234
+Oc1ccc(cc1)c1ccc(cc1C)N,0.8926566387011915
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9584396188661767
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.9906401204769638
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.9473457175246981
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,0.9436751457861874
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.3091517935183819
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],0.5747320733726703
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0.9360147985348668
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.20409928940644606
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0.2515374550722484
+ONc1nc(N)nc2c1[nH]cn2,0.8370190840837961
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6208559135158199
+[N-]=[N+]=C1C=NC(=O)NC1=O,0.6329916341615761
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.2594422203959663
+C1CCO1,0.17373185722769224
+Clc1ccc(c(c1)C)O,0.0793032952238695
+CCCCOC(=O)C(=C)C,0.06586069283901823
+Cc1ccc(cc1)NN=NCc1ccccc1,0.5901190277025335
+Nc1cccc(c1)O,0.7887909878338758
+OCCc1cn(c2c1cccc2)N=O,0.7667669066468519
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.1898394888442081
+O=NN(C(=O)C)C,0.94954517569653
+COC(CCOC(=O)C)C,0.2067172022799676
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.08845610078064735
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.17648270015212697
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.9392659863293116
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.08843199657821937
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.041775114252401296
+COCCOCCOCCOC,0.09408876379111214
+CC(=O)Nc1ccc(cc1)c1ccccc1,0.8427798045603513
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.9657898015399766
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.10749247863340776
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.03579531132337624
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.7157007907702773
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,0.3322339546602983
+O=C1C(=O)c2c3c1cccc3ccc2,0.7654603132336762
+CC(=C)C(=O)OC(C)(C)C,0.1012594625502007
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.9011203229130235
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,0.06619218477090348
+CC(C#N)O,0.14987065500296345
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.06832567083010037
+OCC(=O)Nc1c(CC)cccc1CC,0.07940604997486155
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.41279020136138445
+c1ccc2c(c1)cncc2,0.7443306002153397
+CN,0.11571938963510002
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.2916341714826311
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0.21011580215465311
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,0.5844844764088196
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,0.6163882483107794
+CNCC(=O)O,0.0712774553807415
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,0.80281527317384
+O=c1cc(n(n1c1ccccc1)C)C,0.19393323797408393
+CCOC(=O)N,0.4488292869919983
+O=C/C=C/c1ccco1,0.6217382944355628
+c1ccc2c(c1)ccc1c2cccn1,0.9707780031095865
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.8145178351109095
+[O-]P(=O)(OC)O,0.19975508556274624
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.05202432530863308
+Fc1cnc2c(c1)c1ccccc1cc2,0.5535305299940699
+CCN(C(=O)N)N=O,0.949836485347433
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.2393002265030342
+Clc1ccc(c(c1)C)N,0.8019173182619146
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4909515757041486
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.7936504711824623
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.8389480633286344
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.369235591749305
+C/C=C/C,0.15948501470554893
+CN(CCN(c1ccccc1)Cc1ccccc1)C,0.19174973262177636
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.1241005895415264
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,0.6363846901855245
+NC(=O)Cc1cccc2c1cccc2,0.8502261040452564
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.061939999825644326
+OC1CC=Cc2c1nccc2,0.11553880032620831
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.615624331173886
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.9131369966193591
+OC1CC2C(C1(C)CC2)(C)C,0.07028425895871417
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,0.08843703097420687
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,0.7199127916286249
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,0.20306860846300698
+CCCCCCCCCCO,0.04747631848734745
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.9588240353846478
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.9273011452564226
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.9785743662283541
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9496782010008995
+Nc1ccc2c(c1)oc1c2cccc1,0.7019771892040999
+Fc1ccccc1c1ccccc1,0.6972207408913227
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.38443147570698255
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.8826660640690258
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.9354420807873334
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.45620651995316613
+NCCCCC(C(=O)O)N,0.10899473653913874
+CN(P(=O)(N(C)C)N(C)C)C,0.316385076477663
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.24342731684076452
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],0.06424651965046542
+O=Cc1ccc(c(c1)Cl)Cl,0.02361277220717916
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,0.6816650126687008
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9431661337034819
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0.05955776234490375
+ONc1cnc2c(c1)nc1n2cccc1,0.8858903758815438
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.9476789065371352
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,0.21919456324395423
+OC(=O)c1c(N)cccc1N,0.22179558359689266
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.0982163708100391
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.9233437064883704
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,0.8892091332439529
+Oc1cnnc(n1)O,0.14377438683555338
+[O-][N+](=O)c1ccc(c2c1cccc2)C,0.974018800500501
+OCC=C(CCC=C(C)C)C,0.042516768911217605
+CCc1ccc(cc1)[N+](=O)[O-],0.864420240858059
+C=CC(=O)OCC(COC(=O)C=C)(C)C,0.09133020826661899
+FC(=C)F,0.13954384952922017
+C1CCCO1,0.1319096559366782
+N1CCNCC1,0.19849026036850473
+COO,0.5140536521697662
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.07595110492141777
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,0.08845540066344372
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,0.6355595208498697
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.23372577664461072
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.9500183957211904
+Clc1ccc(c(c1)Cc1ccccc1)O,0.14321779655495334
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0.08852409929961046
+[O-][N+](=O)c1cccc2c1[nH]nc2,0.9233272312378494
+CC(=O)N[C@H](C(=O)O)CSCCCl,0.9233714359612372
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.2947440982471335
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.08904529670287262
+O=NN(C(=O)N)CCCC(=O)O,0.8472897237965081
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0.03388817803600201
+CCCC[C@H](CN)CC,0.03263793450300243
+c1cccnc1,0.09741543131037847
+BrC[C@H](c1ccccc1)Br,0.7586707172829277
+COC(=O)c1ccccc1NC,0.15976344136006104
+CCCOO,0.34258711670850456
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.05640954692008393
+Nc1cc([N+](=O)[O-])c(cc1F)N,0.9666410176758123
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.06763959781970698
+NCC(=O)O,0.07243164341958272
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.5179229826728942
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.14701055683641306
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.1354481231898213
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.9234062706536484
+OCc1occ(c(=O)c1)O,0.43077085713956575
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.8903202580904966
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.9877985212768753
+ClCC(CCl)Cl,0.8190286859139787
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9349771520109569
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.2811410745576701
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.8057545507431371
+Clc1ccccc1C(F)(F)F,0.010886530851485714
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.9146091063048809
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.46140834497357264
+CCN(c1ccccc1)CC,0.4038402874675682
+Nc1nc2c([nH]1)cccc2,0.40200421373336626
+c1ccc2c(c1)nccn2,0.21323365102800856
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.0675548647203064
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.022280906717649217
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.15303614480897615
+C=Cc1cccnc1,0.07905230062411893
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.21632847659849458
+O=C1CCC(=O)N1c1ccc(cc1)Cl,0.1827157895559709
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8922710430629309
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.0872787899599184
+CNNCc1ccc(cc1)C(=O)NC(C)C,0.08999253409807136
+Clc1ccc(cc1)CNC1CCCC1,0.06566308729511368
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9086564259907647
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.1677932757402015
+OOC(c1ccccc1)(C)C,0.4596751859761609
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.26910823218716917
+Nc1ccccc1S,0.7835942560894849
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8688546447860199
+Oc1cc2ccccc2c(c1)O,0.5531550455145973
+OCCN(c1ccc(cc1)C)CCO,0.29040558127336036
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.9556456564347433
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,0.1937417025755625
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.6907754152272882
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.16269758045493626
+O=CC1C=COC=C1,0.3089371492951662
+O=C1CCCN1C,0.08472810020934547
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.9233593988398514
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.8815622899205007
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.819680218319395
+[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8813211381893948
+Fc1ccc2c(c1)sc(n2)C(O)C,0.511134413694697
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0.14602492361541813
+CCCC[C@H](C=O)CC,0.07402688796891088
+ClC(=O)CCc1ccccc1,0.5055500766673867
+[C-]#[O+],0.18410545399201972
+C[C@H](C(=O)Nc1ccccc1)Br,0.7178053010894329
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9234326112588482
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.9234216114181677
+O=CCCCC=O,0.12025742902101243
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.08735243572069352
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.05496060442160479
+O=c1[nH]cc(cc1N)c1ccncc1,0.5419219964413413
+C[C@H]([C@@H](CBr)Br)Cl,0.9396757389734216
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.8906526945492198
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],0.9624662825974264
+CC(=O)C(=O)C,0.16041611528635918
+ClCl,0.16922790052102948
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,0.8748477991810986
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,0.6142870396016736
+OCP(CO)(CO)CO,0.10799628162077395
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.0752520404435229
+CC(Nc1ccccc1)C,0.26217233444021404
+CC(CCON=O)C,0.8205218038919235
+CC(NCC(c1ccc(c(c1)O)O)O)C,0.07312589714929629
+CC1CS1,0.08731190887316742
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.8171096182909281
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.11938320170692678
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0.15040832219424155
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7520510552705093
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.4422942545260287
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.4795799790908272
+CCCCCCCCCCCCOS(=O)(=O)O,0.09219747579522797
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.9775610932160232
+CCC(=O)O,0.07370883000818226
+ClCSP(=S)(OCC(C)C)OCC(C)C,0.12655734282259654
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.0874172709962335
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.8550924943541753
+O=Cc1cccc2c1nccc2,0.3045503645674662
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.9257195552410988
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.09380549684042436
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.23024406469773037
+OCCc1ccccc1[N+](=O)[O-],0.7139328897262085
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.9574866207975118
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.39890425725137285
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9677748157498298
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.5757365650252441
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.8853136364600689
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.26248093870537775
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.9710493988650369
+OC(=O)C(Cl)(Cl)C,0.10600049548135602
+Nc1ccc(c(c1)C)C,0.8686241039599462
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.6021661422299245
+O=C/C=C(/CCC=C(C)C)\C,0.12778408856022883
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7381955799127603
+Cc1cc(C)cc(c1)N,0.5253358461328838
+OCC(=O)CO,0.1987708019888186
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.9292452599266902
+ONc1ccccc1,0.9082961347406381
+OC(=O)c1ccc(cc1)[N+](=O)[O-],0.936644172279624
+OC(=O)c1cccnc1,0.04002689459556013
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,0.45036949526991293
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.04667644431601863
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],0.957493973590743
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.1827549511402522
+Brc1ccc2c(c1)C=CC1C2CCCC1,0.5759686175659017
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.11032034544824358
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.9449609883589022
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0.1964949482740111
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.9238920130716484
+N=C(NC(=N)N)NCCc1ccccc1,0.09040334851065776
+CC(=C)C(=O)OC[C@@H](CBr)Br,0.7658485864279165
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0.12991777845524224
+CCCCNCC,0.05963830241600574
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.08733862833865468
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.7689464817851027
+CC(=O)Nc1cccc(c1C(=O)O)N,0.5445434762285182
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.08810241832020385
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0.13303430357153417
+CC=O,0.24256347539866854
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.9722677160590927
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.9696150086061869
+O=C([C@@H]1OC1)NCc1ccccc1,0.9233992720096619
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.23429167237144197
+c1ccc2c(c1)cc1c(c2)cccc1,0.7168844831159024
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,0.12947782400430105
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,0.9212778221325734
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.06251185244905874
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.08729459966868329
+N#N=NCc1ccccc1,0.9225095077997574
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7882033415262589
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.18015958470189447
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.5989451706275112
+CCC(OS(=O)(=O)C)C,0.9005116753369855
+Cc1ccc(cc1)C(N)C,0.21743792055836067
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.9120941759078074
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.30692671451097187
+O=NN1CCC[C@@H](C1)Cl,0.9649074396619886
+COC=O,0.18821589495402763
+Cc1cccc(c1N)C,0.5134322105401583
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],0.8755757142682942
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0.09304379267534485
+COC(=O)c1ccc(cc1)CN(N=O)C,0.6938727332055459
+O=C1CCCCCO1,0.054881361173813495
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.08738739625923497
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,0.9106041385734086
+C/C=C/c1cccc(c1OC)OC,0.12543907686247227
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.08005123498956113
+C1CCC2C(C1)CC1(CC2)CO1,0.1219713940215288
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.9233807017591567
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.8885707881959767
+[O-][N+](=O)CC,0.4684073995581078
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.18053259330045288
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.08720702631177382
+Oc1[nH]nc2c1cccc2,0.11806314125006384
+O=C1C(=O)C2(C(C1CC2)(C)C)C,0.08728229098273993
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.8533238013639609
+O=c1ccc2c(o1)cccc2,0.11657585782268219
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.7802237713555266
+OCNC(=O)CCl,0.6585058117145032
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.6561148812749539
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.9233800009705735
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.3747256282205772
+CNNC,0.19233397658640308
+OC(=O)CCN[N+](C)(C)C,0.12206096378542186
+c1ccc(nc1)c1cccc(n1)c1ccccn1,0.6123746753055551
+CCC1(C(=O)NCNC1=O)c1ccccc1,0.26607159632824656
+Oc1ccccc1Cl,0.0584982854217795
+S(Cc1ccccc1)SCc1ccccc1,0.12020788465085058
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.8401465078373
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.08722222086565326
+COC(=O)C(Cc1ccc(cc1)Cl)N,0.2197209586840259
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.19971925455174286
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.0873000023088598
+Cc1c2ccccc2c(c2c1cccc2)C,0.8622824325551688
+O=C(c1ccccc1)/C=C/c1ccccc1,0.07476426719419545
+NC(=O)Nc1nc2c([nH]1)cccc2,0.12476472322037191
+O=C/C(=C(/C(=O)O)\Cl)/Cl,0.8864084660857017
+COc1ccccc1C[C@H]1CO1,0.9495466837144484
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.9850072296021645
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.8594910275140958
+CCCCN(CCCC)N,0.11238339159805634
+Nc1cccc2c1C(=O)c1ccccc1C2=O,0.9652560109614492
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.0737354714790945
+Cc1cccc2c1-c1ccccc1C2C,0.9476280159661697
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,0.9233352153176614
+O=NN(c1ccccn1)C,0.2798138008688675
+COC(=O)c1ccccc1CS(=O)(=O)N,0.11289212917410558
+FCC(F)(F)F,0.1243548136685253
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.9086259084182178
+CCN1CCN=N1,0.708189874973729
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.8367714954195832
+C1N2CN3CN1CN(C2)C3,0.40915089035606184
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.6072410995961645
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9513232378069908
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.871216550273702
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.08724886071687361
+O/N=C/1\C=C/C(=N/O)/C=C1,0.33230830169906195
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9865361767335109
+CCOC(=O)C[n+]1csc2c1cccc2,0.19476259305129817
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],0.5
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.9732769797103303
+NCC(C)C,0.10923162403793311
+Fc1ccc2c(c1)sc(n2)O,0.6493841995283315
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9394474219138469
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.3531656008818974
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9577785313223246
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.3085170375552035
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],0.8408860348169764
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0.8493059833397214
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7308654881521327
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.16722609813470327
+Oc1cccc2c1cccc2,0.5415876985008592
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,0.4741560898500365
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,0.9233852338798076
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.7288417820602864
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.9515798466706977
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.9627125507041193
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,0.8018026746671467
+COc1nncc2c1nccc2,0.238976007114232
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.16705857295047402
+CC1=CC[C@@H](CC1)C(=C)C,0.032041342476808676
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.19967861356498393
+CCCCCCCC/C=C/CCCCCCCC(=O)O,0.03880602551038521
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.9317188885705215
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.5751543211517709
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.4202929484167041
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.06746534222657453
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,0.8898567413382152
+ONc1ccc(cc1)C(=O)C,0.7216115948697418
+OC(=O)O,0.09057836363520098
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.13318738908999028
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.9697517798699524
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,0.14538195203110277
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.989627929026619
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.9509056184402677
+CCCCC(=C)C=O,0.5630223187300185
+OC(=O)CCP(=O)(O)C,0.07708531458178512
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.13191975705840386
+OCc1ccc(cc1)Br,0.050357468276133466
+O=CC(=O)C,0.6297594165772413
+Cl[C@H](C#N)Br,0.1425520358258296
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.08729233834693564
+COC(=O)c1sccc1S(=O)(=O)N,0.08288197797249405
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0.07010126613334193
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.936702682951825
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.9673409460185827
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.7048126004039718
+C/C=C/c1cc(OC)c(cc1OC)OC,0.1815466336843953
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0.1636438812682811
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.17850283063874547
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.08728403745500105
+P,0.12852886221691248
+Nc1ccc(cc1)N.Cl.Cl,0.8980757861616506
+Oc1nc2c(C)cccc2nc1O,0.4336278352317554
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.9273867538897784
+O=C1CCCCCN1,0.05962315636946484
+O=NN(Cc1cccc(c1)OC)C,0.7682499663962938
+C/C=C/CC#N,0.08161718261603287
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9234093786663663
+NC(=O)c1cccnc1,0.059734942946454025
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.9646900252699712
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.8198620070578215
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8383406536807377
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.08057406260673568
+Cc1cc(O)c(c(=O)o1)C(=O)C,0.09448375124429262
+NN(c1ccc(cc1)C)c1ccc(cc1)C,0.42755900726889257
+Cc1ccc(cc1)c1nc2c(o1)cccc2,0.06157325272237501
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,0.8371793510920783
+ClC(=O)c1cccc(c1)[N+](=O)[O-],0.9921766735921895
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,0.11201263202412282
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,0.18166797973251922
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.17894866963902378
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.12866742904400988
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,0.061682205945961646
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.88261741790124
+Nc1nc(O)c2c(n1)nn[nH]2,0.0650378836279467
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.9446985617976039
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0.3501591258375938
+OC[C@H]1CO1,0.9796461603624292
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.8910723567825958
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.8118218081670123
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.10363960842477186
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.08734850066741401
+CC(C(=O)O)Cl,0.09861630165166835
+O[C@@H](c1ccccc1)[C@H](N)C,0.056166729201895436
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.7916735493014974
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.9132805321851344
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.876244137785497
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5588527133439238
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.2531395399135154
+ClC(Br)Br,0.1987436420147857
+O=C1C(=O)c2ccccc2-c2c1cccc2,0.8481568270529918
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.9888751108064789
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.885750799126354
+CCOO,0.34472721268818524
+Cc1cc(C)c2c(c1N)nsn2,0.7879942059990032
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,0.19335594004695614
+CN1CN(C)CSC1=S,0.6094336347836089
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.08882894789190107
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,0.1768129544405448
+c1cnc2c(c1)CCC1C2O1,0.15527705274591427
+BrC1=C(Br)C(=O)OC1,0.6731568354929398
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.08729617312136857
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8847466686779416
+NCCCCCCN,0.10576451616406236
+COc1nncc2c1cccc2,0.17485579658561937
+Clc1nncc2c1ccnc2,0.10224601839994434
+Nc1c(C)n(n(c1=O)c1ccccc1)C,0.762159089191471
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9505786267400091
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,0.9585359188294894
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.16594986523298175
+CS(=O)(=O)C,0.12975225799343792
+CC(=C)C(=O)O,0.07463959668640435
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.08722411069917427
+Nc1ccc(c(c1)Cl)C.Cl,0.743592137019671
+CCOS(=O)(=O)c1ccc(cc1)C,0.2800883041622926
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.9233738367201525
+Nc1c(C)cccc1N,0.9012937210512117
+OC(=O)C(CCl)Cl,0.23187152409134876
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,0.7356880336044938
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.08723597528538328
+CCCCCCCCCCCCCC=C,0.056853004367181964
+Cc1ccccc1N,0.9286731727296141
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.15827214387707148
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.48154681330724797
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0.2933557482707496
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.9169221938634422
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0.047014843654776824
+ClCc1ccncc1,0.1385754877656121
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.05504734982851715
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0.02917061567858035
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,0.7243619752403613
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.8404528339917264
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,0.8603258615916087
+NC(=O)N(c1ccccc1)c1ccccc1,0.2485954594527287
+CC(Cl)(Cl)C,0.12217732205861243
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,0.19780789982629055
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9012003318207176
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0.07042417732590567
+ONS(=O)(=O)c1cccc2c1nccc2,0.3121995744359401
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.27814279124455404
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.0944907400170574
+CC(c1ccccc1)Br,0.0873219835793123
+NCCc1cc(O)c(cc1O)O,0.24228976697065976
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,0.8325462328145946
+CCCCC/C=C/C=C/C=O,0.7932630174650035
+CNP(=O)(N(C)C)N(C)C,0.12315452174735157
+CC(=O)OCc1ccccc1[N+](=O)[O-],0.4936580958258045
+CCSCSP(=S)(OCC)OCC,0.0894880884384278
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.4497683429098786
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.9234319363971453
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.9454637331486899
+Brc1cc2cccnc2c(c1)C(=O)O,0.12491494019038515
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,0.11709215760165777
+S=P(N1CC1)(N1CC1)N1CC1,0.347002817912427
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,0.9267094754064307
+ClC=C(Cl)Cl,0.6842307151320154
+C=CCN(CC=C)CC=C,0.1205866767751357
+CCOc1cccc(c1)[N+](=O)[O-],0.9058418460959999
+O=NN(CCCC(c1cccnc1)O)C,0.7846729320186565
+Cc1ccc(cc1)Cc1ccccc1,0.104369242917688
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.06824703615510463
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.9885668369200655
+CCCCOc1ccc(cc1)CC(=O)NO,0.41605700481427915
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.13729257109431395
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.8455254533744835
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0.09205820837872401
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.13065501051194228
+COc1cc(ccc1N)[N+](=O)[O-],0.9920874249892951
+CN(c1[nH]cnc2-c1ncn2)C,0.4829037669283251
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.735724930667489
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.13849328974287864
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.1978151636044783
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.1010833339741374
+CCOc1ccc(cc1)[N+](=O)[O-],0.93362052323929
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0.08723150640682993
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0.08731662254394795
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.9125001939091711
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.16989043546077573
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.08732698058831405
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.08724466027630752
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,0.9651334322298819
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.893641107799493
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.8986030838906621
+BrCCBr,0.8386764108653207
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.9233640800403697
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,0.08728131740881437
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0.17565483678623853
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.9545186698807893
+NC(C(=O)O)COC(=O)C=N#N,0.5
+OC(=O)C1OC1C(=O)O,0.06564398987957296
+OC(=O)CI,0.07675827057352808
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.8510680274499067
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.1339951878796772
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.08737123287414023
+OC(=O)COc1ccc2c(c1)cccc2,0.26181556423842084
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.06449228969045856
+Clc1ccc(cc1)CC1OC1,0.9234188996784481
+CC[C@H]([C@@H](CO)C)C,0.07338287715420162
+COc1cc(CNC(=O)C(Br)C)ccc1OC,0.923393464441112
+O=Nc1ccc(cc1)Oc1ccccc1,0.9452916663361128
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.9233032399695033
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.08727378708505663
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.951596514301175
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,0.9063259990480602
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.08736168530462943
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.9406901225798945
+CNC(=O)c1ccccc1,0.2072423901865417
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.14421605781394
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.9882884174088171
+Clc1cccc2c1cc1ccccc1c2,0.7963020997993481
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.20289698929644634
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.9425098476200646
+COC(=O)C(=C)C#N,0.10989629437990024
+NN(C(=O)C)C(=O)C,0.2883814338489046
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.9308172927923198
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,0.926785757042713
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.10790951647164351
+OC(CN=[N+]=[N-])CN=[N+]=[N-],0.8549741760615853
+CCN(C(=O)c1cccc(c1)C)CC,0.10366604538538646
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.8816566794551453
+OC1CC(C)(C)N(C(C1)(C)C)O,0.10065677532501152
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.26296402076339487
+CCCc1cc(O)nc(n1)S,0.07802996115636916
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0.08723551120777565
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,0.571253090719278
+O=C1C=CC(=O)C(=C1)Cl,0.44494712367759837
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.16340004752285173
+O=C1C=CC(=O)c2c1c(O)ccc2,0.9309728779522253
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.9029281978966508
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.052940986079724486
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.9233803098364298
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.8792577620332668
+OCCCl,0.7998520186655144
+ClCCSCc1ccccc1,0.6172220754371316
+Sc1ncnc2c1[nH]cn2,0.6818538300980079
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0.8468158283040345
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.21813656842721227
+O=C1OC(=O)c2c1cccc2,0.19515361435630846
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.9713494260900079
+OCC(CO)(CO)CO,0.17647954173389294
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9879622245697689
+Cc1ccc2c(c1)nccc2,0.7667097911842876
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.9399221151066388
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0.08724084686117989
+c1ccc2c(c1)snc2,0.5
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.8102581948629879
+NC(=O)Cc1cccc2c1cccc2,0.3352385029659715
+COc1ccc2c(c1)oc(=O)cc2CBr,0.21237238903192276
+OCC(C(=O)O)N,0.22946895302103051
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.39274078840362225
+NC(C(S)(C)C)C(=O)O,0.16837578221716223
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],0.8217570218351934
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.881041145829842
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,0.08246145515955286
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,0.08305757146244683
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.19107311429158563
+COc1cc(F)ccc1[N+](=O)[O-],0.8932443029855872
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.3878555212582762
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.07184491862558412
+CN=C=O,0.1566805778601789
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],0.9435714659808342
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,0.7499006813430407
+OCCCCN(CCO)N=O,0.9688184693409017
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.014079278863612243
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,0.8965589448791742
+CNc1snc2c1cccc2,0.22962235578919543
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.12804748787673106
+C1NCCS1,0.2200810331850204
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.1139473304341042
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.9487884788581518
+Cc1ccc2c(c1)cc1c(c2)cccc1,0.7825846034299129
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9359239686688228
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,0.08734083683651844
+COC(=O)c1ccccc1N,0.15452705751470905
+N#Cc1ccccc1[N+](=O)[O-],0.7119866392319756
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.0912428857726803
+Nc1ccc(c(c1)C(F)(F)F)Cl,0.22034704746280487
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.130038537654639
+C[C@@H]1O[C@H]1c1ccccc1,0.42452347639967664
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.15750100877536438
+NC(C(=O)O)CN=N#N,0.9282553901281557
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9670253421517935
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.06957085431161426
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.09856239043168159
+CSCNc1ccccc1C(=O)C,0.48552693824929016
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.9233583645832522
+OCCN(CCO)C,0.09590475135439472
+Cc1cc(C)nc(n1)N,0.07851780996582253
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9862506302279626
+Fc1ccc2c(c1)nccc2,0.8897979048548946
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.5521862801757073
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0.12305476593562
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.8254138307478269
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.9528309901407485
+Cc1ccc2c(c1C)c1ccccc1cc2,0.8713951946837543
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.8730158460596786
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.9286099715436354
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.1304807544943201
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,0.13139068346813726
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9161691582365236
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,0.21136756342250865
+CC(=O)CCl,0.44260057050733925
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.13979734721863743
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.4249339253615917
+CCCC(=O)Cl,0.5
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.0872714770243883
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.08727956301209626
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.8831214049598745
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.9233828169877941
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9626548645164978
+CC(Cc1nccs1)C,0.3289454012663599
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.24411314759325645
+C=Cc1ccccc1C=C,0.08496482324306935
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.08609116495029323
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.13827042656093033
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.3965627682018624
+CC(N=C=NC(C)C)C,0.19762925855055546
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,0.29131610577008027
+CCCCCCOC(=O)c1ccccc1,0.01844863124899887
+COc1ccc(c(c1)C)N,0.886795082050663
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.9327641915578339
+Cc1nc2c(nc1C)ccc(c2C)N,0.9710656579264024
+C=CCc1ccc(cc1)O,0.07782638490283336
+COc1cc(C=C)ccc1O,0.07941699602460218
+C=CCNCC=C,0.1393221204999975
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],0.20666732260053614
+c1ccc2c(c1)nc1c(c2)cccc1,0.8583159291570793
+CC(Cc1ccc(cc1)C(=O)C)C,0.12265053182638624
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.4539587800507244
+Nc1nc2c(n1C)cc1c(n2)nccc1,0.687357127516084
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.18428295365973435
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9742779055655998
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.36198992669544583
+[O-][N+](=O)c1c(O)ccc2c1cccc2,0.6084606480009398
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.4353999623448286
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.849322775021453
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,0.9316695957898102
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.8059343991838518
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.0977502744845983
+CCCCCOC(=O)C(=C)C,0.04567238264656019
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8805853482529136
+Clc1cccc(c1)C(=O)O,0.03352713456671317
+ClNc1ccc2-c3c(Cc2c1)cccc3,0.8196299520171594
+Clc1c(Cl)ccc(c1Cl)Cl,0.018696229576346323
+O=NN(Cc1cccc(c1)C)C,0.8868486759315807
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.9133441754872035
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.12501038653303034
+O=CC(=O)O,0.5145825340944894
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.22402939480328599
+OC(=O)COc1ccc(cc1)Cl,0.057384103640767875
+COc1ccc(cc1)N=O,0.9506343755970476
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.2116509125242873
+C[C@@]1(CO1)C=C,0.38628936452328355
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.3608091726485551
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.9785644658538971
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.7254299395707632
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.9691306320125366
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.5174816198402002
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.12522862795777182
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.9438052617235023
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.08724034870672406
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9884651961627134
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,0.11228594384884716
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.11049463529678545
+C=CC(=O)OC[C@H]1CO1,0.9433564893928843
+[O-][N+](=O)c1ccc2c(c1)NCC2,0.959564098077542
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.989448287866003
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0.15004735805207017
+O=c1oc2cccc3c2c2c1cccc2cc3,0.6709767427582719
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.9449781462194947
+O=Nc1cc(ccc1C)[N+](=O)[O-],0.9610513996782241
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.05939477755164823
+O=C1C=C(O)c2c(C1=O)cccc2,0.9233205503589027
+O=C([C@@H]1OC1)Nc1ccccc1,0.8545833544586158
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,0.4320675571969189
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0.04792605471572618
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.0958453267476913
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0.20273466197008314
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9560363600428006
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9733995724957986
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.871578142564976
+COC(=O)C(Cl)Cl,0.471825267621748
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,0.5993907748673407
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.7035530184022576
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,0.08725608814589775
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.1545757764468263
+CC(Cl)C,0.45434081081903155
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0.1746889156424362
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.13279560497737278
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.9721709625389561
+Cc1cccc(c1)N,0.7233984514485791
+OCCNc1ccc(c(c1)O)C,0.7296709899828705
+CCCCCCCCCCCCc1ccccc1,0.04873465232041638
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,0.9109705782218529
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.9638205975177001
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.09321900701890853
+Fc1cnc2c(c1)c1ncccc1cc2,0.735197827493451
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.13385078637040132
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8924191769853456
+Clc1cc(N)c(c(n1)C(=O)O)Cl,0.15068565504176706
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.6543040785409274
+N[C@H](C(=O)O)CSCc1ccccc1,0.10184290208597993
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.08122278905725719
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.902639458390175
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0.08732404691191678
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.08240878533494271
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.771684029536801
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.9303947950808831
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.12736919991561704
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.9524738161526748
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.964981965358713
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.04465733146828702
+CCCCCCCCBr,0.7500232159522077
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.7742681543968446
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.8728455979950728
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,0.8456945508543179
+BrC(=C)C=O,0.8267104682967227
+CN(/N=N/c1ccc(cc1)Cl)C,0.905485626001496
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.8084903313305097
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.10173452953636648
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9233850711386291
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.765118923687133
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5482917171863284
+COC(=O)C1=CCCN(C1)C,0.14605967451363105
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.41835886678211254
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.1442541310177853
+COc1c2oc(=O)ccc2cc2c1occ2,0.14651206075356502
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.0873005134035966
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.8753956233091542
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.061629733405004494
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.09480420446669288
+Nc1ccc(c(c1)[N+](=O)[O-])O,0.8565203752901366
+CCOC(=O)[C@H](Br)C,0.6911725026018335
+Oc1ccc(c(c1Cl)Cl)Cl,0.034994380482060584
+C=C[C@@](CCC=C(C)C)(O)C,0.19036821877069451
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9795526155424884
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.609957879836018
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.09205769726858919
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.9811599684069904
+CN(N=Nc1ccc(cc1)C(=O)O)C,0.547407247024842
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.39394442617759867
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0.14839781281740622
+ClC(C(=O)O)Cl,0.29286099751415706
+Cc1ccc(cc1)C(O)(C)C,0.22896808908914124
+CCCCOCC(=O)O,0.06014209093470765
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0.10708701461324642
+OC(=O)CN(CC(=O)O)CC(=O)O,0.08410561285873538
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.07609007824282318
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.1667084818109041
+O=C1C=C(O)c2c(C1=O)cccc2,0.9233205503589027
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.8945500829699348
+OC(=O)/C=C\C(=O)O,0.06111262774999181
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.08735787443725283
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0.54930852248233
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.9449520791878778
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0.7253865343025905
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.954837798869736
+Nc1nc(NC2CC2)nc(n1)N,0.15309156988574454
+Cc1ccc(c(c1)N)N,0.8702367368077242
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.09525729776889533
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.28849606201417505
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.091183147001851
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,0.7045095612849686
+CNc1ccccc1,0.6058261034056643
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.8901074328926737
+Cc1cc2ncccc2c2c1n(C)c(n2)N,0.9424570132564787
+O=N#Cc1cc(C)cc(c1)C#N=O,0.199079016762799
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.9648380979457876
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0.4600725052586263
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.07316316646057293
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.8971824634983644
+CCOCC,0.0789651504880875
+O=Cc1cccc(c1)[N+](=O)[O-],0.9016796910863556
+COc1nc(NC(=O)N)nc(c1)OC,0.05684488331768826
+O=CC(C)C,0.1537033732981486
+Cc1cc(C)c2c(c1)c1ccccc1cc2,0.8870228633697437
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,0.23987314741629512
+O=C1C=Cc2c3c1cccc3ccc2,0.9308307181944903
+Clc1cccc(c1)C(=O)Cl,0.7292802645378362
+Cc1ccc(cc1)CC[C@@H]1OC1,0.9110371159574391
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.9895753077230269
+C[C@H]([C@@H](CCl)Br)Br,0.9233758245679488
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0.6365814051204806
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9233790550395898
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,0.6103951693791928
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.9791753814372728
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.8927987330816384
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,0.8814227283703101
+Nc1cc(Cl)c(c(c1)Cl)N,0.35167686175394897
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.15613544818300393
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,0.8768650812918188
+Oc1ccc2c(c1N)cccc2,0.6725790719844
+CNC(=O)Oc1ccc(cc1)c1ccccc1,0.41927380659658087
+CCCCCCCCCCCCC=C,0.056853004367181964
+O=C(C(=O)O)C(=O)O,0.12688137650065487
+CC([N+](=O)[O-])(Cl)C,0.3793242586975245
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.9400469202580263
+ClCCOP(=O)(OCCCl)OCCCl,0.7385153251704554
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.9379093862876056
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.7373093659817014
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.20839078757708343
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.8632784266452803
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.0964595070627207
+COC(=O)c1ccccc1,0.059966874366279566
+CBr,0.18410545399201972
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.9415600689104853
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.982793306687956
+O=NN1C[C@H](C)C(=O)NC1=O,0.8324123045030606
+CC(=O)Oc1cccc2c1nccc2,0.46976035444879494
+Nc1cccc2c1ccc1c2cccc1,0.9821544260781513
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.8102581948629879
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.08241984013932598
+ClCc1ccc(cc1)CCl,0.16914592353991165
+OC1=C(C)CCC1=O,0.26133417326145925
+COC(=O)C1=C(C)C(OC1=O)C(C)C,0.23873473410023754
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.9233852986299248
+N#C/C(=C(/C#N)\N)/N,0.13554433414467942
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0.11687430317157724
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.11409730382537714
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.14247540274188933
+OC(=O)/C=C/C(=O)CC(=O)C,0.10328362054554503
+CCCCC,0.03015948626763509
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.7401920738056694
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,0.6204884441910009
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0.2876982753118282
+OCCCCCCCCCCCCCCCCCC(=O)O,0.06129375519461497
+OCCc1ccccc1,0.19270994466127803
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.9233515769355769
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.08469134711965864
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0.08308958772515984
+CCN1CCNC(=O)C1=O,0.24369848788199802
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9554067101769326
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,0.9541333118405212
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3[N@@](CC2)CC=C1)CC)[C@]1(C[C@H]2C[N@@](CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,0.11808934425425545
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.9246006979680804
+NC(=S)Nc1ccccc1,0.1547868742183291
+OCc1ccco1,0.33127913894291616
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.9233206744594117
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,0.653535754828375
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.9409107432926845
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.8301465878754076
+COc1nsc2c1ccc(c2)[N+](=O)[O-],0.9641121046567735
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],0.10094276131852992
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.18273055567171156
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.12837370197028788
+O=C(Nc1ccccc1C)CC(=O)C,0.06722952536861536
+C/C(=N\O)/CC,0.49494589523774524
+Oc1ccc(nn1)O,0.06294135373327012
+CO,0.18410545399201972
+C/C(=N\O)/C(=O)C,0.10055464734177766
+Clc1cc(Cl)c(c(c1)Cl)O,0.06090156282520019
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.9702019824454623
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.9233946238172904
+Oc1cccc2c1cccn2,0.43135195617030847
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.09751324551893457
+Sc1[nH]cnc2-c1ncn2,0.6818538300980079
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.08132728989713435
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,0.9181984721068416
+Nc1cccc2c1c1ccccc1cc2,0.9592923066802346
+ON=C1CCCCC1,0.18690777047439175
+OC(=O)c1ccccc1C(F)(F)F,0.03413640830526482
+OC(=O)CC(C(=O)O)O,0.08734888009825928
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.18895364268179846
+CN(C1CCCCC1)C,0.07623096760707866
+Fc1cc2cccnc2c2c1nccc2,0.9422058457769948
+Cc1cc(N)cc(c1)N,0.6936224317113726
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,0.1649876536664843
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.11882483519103089
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.0872440692203836
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],0.7445400542337473
+CC(COC(=O)c1ccccc1N)C,0.11353690337100517
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.1980446978002569
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.3616372165214457
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.8094340632834514
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,0.647497618098315
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.19718421842269201
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.47354967176662566
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,0.7866478878931821
+CC1CCCO1,0.21760452414850515
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.9240125358558803
+CC(=O)/C=C\c1ccc2c(c1)OCO2,0.10562860587626864
+CNC(=O)N(c1ccccc1)c1ccccc1,0.1876461878986143
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.9233758963773228
+O=C(Cc1ccccc1)OCc1ccccc1,0.10879405209627913
+Cc1ncc[nH]1,0.12422442187306612
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.14926431775803037
+N#CCC[C@](C#N)(CBr)Br,0.5778847106188109
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,0.09703454742784949
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.9264548250376949
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9234021563363835
+Cc1ccc(c2c1c1ccccc1[nH]2)C,0.9467030674024715
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.4419075673397296
+CC(CCCCCCCOC(=O)C(=C)C)C,0.06156891614428285
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.0815633324379436
+NN(c1ccccc1)c1ccccc1,0.365757258921243
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.2714057376349033
+ClC([N+](=O)[O-])Cl,0.3744699759515843
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.14705991171666438
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.0779131006416874
+O=C1c2ccccc2-c2c1c1ccccc1cc2,0.5491376397348331
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.08606465150374007
+CO/N=C(\c1ccccc1CO)/C(=O)NC,0.10271935837971459
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.9233530292339163
+O=C1NCNC(=O)N1,0.1650730933943258
+CNC(=O)N(C(=O)NC)O,0.18308387634879963
+O=Cc1ccccc1O,0.10881718126538895
+C1CC[C@@]2(CO1)CO2,0.32058690852410304
+S=C1NCCN1,0.12214853809487995
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.961535469588144
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.9272007938278313
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.9525996634723203
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],0.9875284364782183
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,0.8980819737969161
+O=Cc1cccc(c1)Cl,0.04760292971029508
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.16136841614738223
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,0.8406278009724172
+C=Cc1ccc(cc1)[N+](=O)[O-],0.9491736657911337
+C[C@H](COC[C@H](O)C)O,0.5
+OC(=O)c1c(Cl)cccc1Cl,0.04785825957556961
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.37834742207677335
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.9544500671309811
+CCCCN(CCC(=O)O)N=O,0.9242818123213432
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.8819507916261965
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9439657459113835
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.947378602773547
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9621827084910964
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.9872539448701337
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0.10363960842477186
+IC(I)I,0.17288480344577584
+CCOC(=O)CNC(=O)C(Br)(C)C,0.16551390140937583
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.08734053139096333
+CN(C(=O)Nc1ccc(cc1)Cl)C,0.1241088931833556
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.1860086608438029
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.5375548941501086
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.9201273927658244
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.9304523793037242
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.8581958538343963
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,0.09409032191379299
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.5682194029512561
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.7748143583394249
+ClCC(=O)N(c1snc2c1cccc2)C,0.628105657874341
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.11383082471706064
+OC1C=Cc2c(C1O)nccc2,0.1901298042008605
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.9314842710593626
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6775742465606353
+CCOc1ccccc1C(=O)N,0.08884054296790445
+Fc1cc2cccnc2c2c1cccc2,0.8802181653258577
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6453919763710926
+ClC(=C(Cl)Cl)Cl,0.40391309005676845
+Nc1c2CCCCc2nc2c1cccc2,0.8659415252360986
+Nc1ccccc1O,0.7039959271524134
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,0.08677398344699956
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.07334614139690249
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.9253453985686086
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.1773422098060887
+N#CCCNCCC#N,0.0999725087822149
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.1156041316868108
+CCCCCCCCCCCCCCCCCC(=O)O,0.02332171813095143
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,0.9202146492993726
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.9202277581157577
+CSC(=O)c1cccc2c1snn2,0.38237401157453194
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.8078217947964829
+Cc1ccc(cc1)Br,0.07208364574670457
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.23434830257523892
+CC(=O)c1ccccc1,0.09478030738024734
+CCCCCCC1OC1,0.08848655943418421
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.23537225674905904
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.9715501508067246
+O=C1CCC(=O)O1,0.10986881190735806
+ClCC(Cl)(Cl)Cl,0.7131776840443071
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0.08839724125714249
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.08825980032344291
+Nc1ccc(cc1)S(=O)(=O)N,0.3059989183185248
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.04401847320712962
+CC(C(C)C)C,0.13635267450246302
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.9202038555355122
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,0.8910691105149017
+CCCCOC(=O)c1ccccc1N,0.04862570284998703
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.09468724052998707
+O=NN(Cc1cccc(c1)C#N)C,0.832952073889554
+CCC(C)C,0.05446392641001571
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9901770792222632
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.4800166285187332
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.7966329829055213
+Nc1[nH]ccc2-c1c1ccccc1n2,0.8496655429256166
+CON(C(=O)Nc1ccc(cc1)Br)C,0.18554877626758234
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.8877101992349287
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.8461592940625785
+Nc1ccccc1c1ccccc1.Cl,0.9157317908595816
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.956273468658853
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.11708576607047448
+C([C@@H]1OC1)C[C@@H]1OC1,0.79498397967514
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,0.9202551513524314
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.7041044216574317
+O=C1c2ccccc2CCc2c1cccc2,0.41434192970737294
+CC1(OC1)c1ccc(cc1)c1ccccc1,0.959174216629479
+O=CC(Cl)(Cl)Cl,0.2259756241856022
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.08856391197341741
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.9202350717214132
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.04172514305941657
+Fc1cccc2c1ccc1c2cccn1,0.9682654898775163
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.9416015804254639
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,0.08845807125666251
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],0.9066640688426045
+CCN(C(=N)N[N+](=O)[O-])N=O,0.9395562429907356
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.08842387382725177
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.052901646843755874
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.1273740790617993
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.07617292115875232
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.9364418315096846
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.8809478595656862
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0.0883958545515982
+CC(c1ccc(cc1)NC(=O)N)C,0.100929896650894
+[O-][N+](=O)c1ccc2c(c1)csn2,0.9637735503842476
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.08237054956933959
+CCC/C=C(/C=O)\CC,0.34968055259723724
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9729272006577171
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0.08850012517867911
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.311206868861643
+C=CC(=O)OCCCCCC(C)C,0.07231706047940581
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.8625784969641277
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9565881080942087
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.1705926605189519
+CCc1cccc(c1N)C,0.3379614921408758
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.08851150147298684
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.05883537211158573
+CNC(=O)Nc1ccc(cc1)C(C)C,0.11405993683945623
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,0.8041653980423752
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.9201621717687465
+N#CCNC(=O)c1cnccc1C(F)(F)F,0.08299426763857765
+Nc1ccc2c(n1)n1ccccc1n2,0.7992488799051486
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.1805708384899761
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.5965505018004406
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,0.8520546802671561
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.6976455234230272
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.7420116769604572
+CC(OS(=O)(=O)C)C,0.8980814739579315
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5843271547516055
+ClC(C(Cl)Cl)Cl,0.11824385124852925
+CCCCCCC=O,0.05320400951108444
+CNC(=O)CSP(=O)(OC)OC,0.33877827436743674
+NC(=O)CBr,0.27178604294320363
+c1cnc2c(c1)C1OC1C=C2,0.1813467981586173
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.8202056838969284
+Fc1ccnc2c1cccc2,0.7846483323869933
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.7619928558078205
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.9609097672428792
+CC[C@H](OS(=O)(=O)C)C,0.883922079165631
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.8544716022750902
+O=C1CCCCCCCCCCCCCCO1,0.059124249897378876
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.11362948303134111
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.10258395913514905
+COc1cccc(c1)[N+](=O)[O-],0.909644818510106
+O=Cc1ccc(o1)[N+](=O)[O-],0.9840284887414649
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.09558179532867961
+c1ccc2c(c1)oc1c2cccc1,0.5369001564140189
+Nc1nccs1,0.4159063530884651
+Nc1nc(N)c2c(n1)[nH]cn2,0.33963159752643673
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.9027870924179063
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0.10130694490636895
+ClC(=O)c1c(Cl)cccc1Cl,0.7588879057930797
+CCN(N=O)CC,0.966014817014233
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.8669844790935755
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.08851285393823537
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.10248613764186515
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.08848909530617789
+NC1=N[C@@H](CS1)C(=O)O,0.15135960395166728
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0.12756016323248115
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.19457437363496483
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.8914218866426789
+ClC(C(Cl)(Cl)Cl)Cl,0.17936624920620603
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.924010082179217
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.08719934255754365
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0.08614573066096573
+CC1OC(C)CN(C1)N=O,0.9552402965805913
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.5136890577515343
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.954618976988485
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.23500359027551943
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.9103674932651128
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.2382455768080504
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.9478475529639109
+CC(=O)c1ccco1,0.12162991173823212
+Nc1ccc(c(c1)O)[N+](=O)[O-],0.899271686971255
+COS(=O)(=O)C(F)(F)F,0.5541291019541075
+Cc1ccccn1,0.09186468493542718
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.9220520448851216
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,0.9181001978425493
+O=C(Nc1ccc(cc1)C)CC(=O)C,0.0885422462019655
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.9750688755192928
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,0.9201932234376894
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.10225125269053137
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.1716399050654054
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.9231690706487219
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0.17580950937552725
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,0.8273328503512297
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.21926881230571976
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.3232187553132624
+OCCNCCO,0.19413013348980995
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,0.6804044406345316
+OC(=O)C(CC(=O)O)CC(=O)O,0.09973654217723103
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0.08056224933614366
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.4807698779106876
+CC(CN1CC(OC1=O)C)O,0.0948873682663886
+O=C(c1ccccc1N)OCCc1ccccc1,0.15087798738480637
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],0.8922598010583771
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.624252199654593
+CNCCS(=O)(=O)O,0.0898612601993577
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0.08843786130559449
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.6799217503618789
+OC1C2OC2c2c(C1O)c1cccnc1cc2,0.4263792653573313
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.12093929372282859
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,0.9007900502971383
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,0.6965604658994956
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8757076115102763
+OC(=O)Cc1ccc(cc1)NC(=O)C,0.435946710384342
+O=CN(c1ccc2c(c1)cccc2)O,0.7715361688090019
+ClC(=O)c1ccc(cc1)C,0.8918036624634494
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.08843300945222539
+O1CC1COc1ccc(cc1)Cc1ccccc1,0.9314842710593626
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9399017852065527
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.9641025145995481
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.17747359585277298
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.09669336542232626
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.08853278328215708
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],0.8832160750915776
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.7893699197597619
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0.3990997081156223
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.10366929356122284
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.9338185282906012
+Nc1cccc2-c3c(Cc12)cccc3,0.9610729774496762
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.9675365005617236
+FC(C(F)(F)F)Cl,0.0862806128020232
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.0999404505051269
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.681847202288252
+Cl[Cu]Cl,0.17288480344577584
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.9202132370652365
+C/C(=C\C)/CCl,0.366366517760577
+Clc1cnc2c(c1C)cccc2,0.2018681549367142
+ClC(C1=C(Cl)C(=O)OC1)Cl,0.9630021567667275
+CC(=O)CC(O)(C)C,0.0660251114640104
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.16417274219133535
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.9202285502318542
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.898944499290424
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8971343319174887
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.8193246173426613
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.9202636253314376
+CN[C@H](Cc1ccccc1)C,0.14836576505376797
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0.16446367660480796
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.07151187866148759
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0.43572604692974437
+OCc1cc2ccccc2c2c1c1ccccc1cc2,0.6459861878696598
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.09148826142942827
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.7101225905251795
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.08848690931892479
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.27495320845787696
+Fc1ccc(c2c1ccc1c2nccc1)F,0.8619812819695221
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.08853610209219276
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.43552604935958317
+Nc1nc2c(n1C)ccc1c2ccnc1,0.9197689729782085
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.7789489061919997
+ONc1ccc(cc1)N=O,0.9944472241089056
+C=C[C@H]1CCC=CC1,0.09382523898010219
+NCCO,0.22654886673070065
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.885603781080742
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.10003581219677263
+Clc1ccc(cn1)Cl,0.060181709375129185
+CCCCCCC=C,0.05675643485101716
+FC(C(F)(F)F)C(F)(F)F,0.08529159985041086
+CCC=O,0.19957826765672984
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,0.08844662587673613
+O=C1C=CC(=O)c2c1cccc2,0.7799495889841523
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0.1710304218097373
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.9299158480224403
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9020501198405168
+C=CCOC(=O)c1ccccc1N,0.09232826143497759
+Cc1nccc2c1[nH]c1c2cccc1,0.9347971466296918
+ClCC[N+](CCCl)(C)[O-].Cl,0.733888848668063
+ClCCNCCCl,0.8595226366800882
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,0.35550434741091097
+Nc1ccc2c(n1)n1cccc(c1n2)C,0.8055886554529319
+Oc1cc(Cl)c(cc1Cl)O,0.05183490223717438
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9201912901509434
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.8817609763922214
+OC1C2OC2c2c(C1O)ccc1c2nccc1,0.8963321680888727
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.8991310634299353
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,0.9327415647762047
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0.48932275291732097
+COc1cc(N=Nc2ccccc2)ccc1N,0.9841640145133126
+Cc1cccc(c1)O,0.06870947479569464
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.08849504381509286
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9219637371476003
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0.569932541640264
+COc1ccccc1N.Cl,0.9385231205541744
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.9201566208461749
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],0.18726573607322855
+CCCCO,0.09610870339644685
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.033719764429613844
+CNC(=O)NC,0.15835136932494692
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.11471906330644492
+COC(=O)c1ccc(cc1)O,0.03856358684647436
+OCCCN=N,0.37682202484926014
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,0.6898610076685301
+Nc1cnn(c(=O)c1Cl)c1ccccc1,0.08847488510441597
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.8806264657754248
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,0.45220927786485954
+CC(COS(=O)(=O)c1ccc(cc1)C)C,0.5410215194140094
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.5314286749293904
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,0.016064513923270213
+ClCc1ccc(cc1)C,0.15354332550012395
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.9160148251596028
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.12942441783712952
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.2931122361645027
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9778716764516447
+Nc1ccc2c(n1)cccc2,0.7647349932760649
+CC(COC(=O)C(=C)C)O,0.13346825208119395
+Oc1cnc2c(c1)cccc2,0.5688879739998268
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.2155872133085891
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7829336528007624
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.7014315879707244
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.09636156742803888
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.08712045570172303
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.9447605429525683
+O=C1C=C(C)C(=O)C(=C1)C,0.08364933463866722
+Clc1ccc(cc1)C[C@@H]1OC1,0.9202351785871811
+COc1nsc2c1c(ccc2)[N+](=O)[O-],0.8372902043418216
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0.1833364964313562
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.34924092025020603
+Nc1cccc2c1snc2Cl,0.8970246942752973
+CCOCC=O,0.1686848636983419
+[O-][N+](=O)c1ccccc1c1ccccc1,0.9750127194242115
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.2385654773670109
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.9234272187543174
+Clc1cccc(c1)C(F)(F)F,0.012170259851544157
+NC1c2ccccc2-c2c1cccc2,0.7566265149758912
+CC(OP(=O)(F)C)C,0.08847907913754675
+O=NN(CC(=O)C)COC(=O)C,0.8881941142771158
+OC[C@H]([C@H](CO)O)O,0.2312984752323969
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.44228036659860803
+CCCCON(C(=O)c1ccccc1)OC(=O)C,0.9519096562446216
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,0.920172828944374
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.49252805748293105
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.07330226023872073
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.16364573038538063
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.2894638028947803
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.960340476362679
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.8004887095451287
+O=NN1CCN(CC1)C,0.8789508652944746
+COCCOC(=O)c1ccccc1C(=O)OCCOC,0.05993003564178413
+Clc1ccc2c(c1)oc1c2cccc1,0.348240749711717
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5076680175251279
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0.11918921371307575
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.507548201854144
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.9654927110941324
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.980895544213281
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.2051487950062341
+Cc1ccc2c(c1)nn[nH]2,0.28039970936100145
+NC(=S(=O)=O)N,0.20176756422734313
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0.3721503582101238
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0.05237348361413865
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.14305150268692265
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.07705637672814349
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.5085350207895296
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.9878017767144895
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.8934342405009603
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.45832348068424683
+c1ccc2c(c1)Sc1c(O2)cccc1,0.17732891513769963
+Oc1ncnc(n1)O,0.13278215136271254
+Brc1ccc(cc1)c1ccccc1,0.2744461663069884
+COCCOC(=O)C=C,0.10302014144339963
+N#Cc1cc(ccc1N)[N+](=O)[O-],0.9196005689509876
+NNCCO,0.18066681208957622
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.9166255503881062
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.987510255785837
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.9483710567278724
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.9662877496696936
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.4307077569754701
+NCC(=O)O.Cl,0.10520382895487052
+CC(=O)c1ccc(cc1)[N+](=O)[O-],0.9358558700416275
+ClCC#N,0.1384337969874687
+OC(=O)CCCc1c[nH]c2c1cccc2,0.10384383632683028
+COc1cccc(c1)N,0.9532419920033163
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.08851007925336445
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,0.20995600244625198
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.7931500397816007
+NC(=O)NCC=C,0.11779607685261403
+[O-][N+](=O)c1cccc(c1C)C,0.5
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.13534835534431416
+Fc1cccc2c1c1cccnc1cc2,0.942538411073961
+Cc1cc(ccc1N)/N=N/c1ccccc1C,0.9799856769496839
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,0.6847466454809443
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.5982982565742531
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.3696500034945119
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.37826880282271436
+C=CC(=O)OC(C)(C)C,0.12380838329616178
+ClC(=O)c1ccccc1F,0.8658803965135485
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.9167216683617215
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.24167895425737587
+[O-][n+]1ccc(cc1)[N+](=O)[O-],0.8113500312457625
+Oc1cccc2c1c(O)c1c(c2)cccc1O,0.8910944328022302
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.8663161662992729
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0.02803413413417476
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.08280017023908298
+CC1(CO1)C=C,0.2550358230635608
+SC[C@@H](C(=O)O)NC(=O)C,0.2922225028001048
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.98530660248305
+Cc1ccncc1,0.07003688542512744
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,0.4007889767981109
+Sc1ncnc2c1[nH]cn2.O,0.8809815799352153
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.06093240451573194
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.029036209668445008
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.09956780839041406
+ClCc1c2ccccc2c(c2c1cccc2)Cl,0.7918877997866266
+CCCCCC(=O)O,0.02332171813095143
+N#CC(/N=N/C(C#N)(C)C)(C)C,0.08845967793053107
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.5747131485315882
+O[C@@H]1OC(=O)C=C1CCl,0.9011274148849419
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.027811176102003884
+CC(Oc1ccc(cc1)Nc1ccccc1)C,0.20186298821634893
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.9739203179718275
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.13310379210239473
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.36734411994236343
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.9734573571545818
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.8361369921425068
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,0.9549891247448337
+CCNc1nc(NC(C)C)[nH]c(=O)n1,0.11448642411747041
+N#Cc1cccc2c1nccc2,0.4156049882435537
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,0.40607704067414735
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,0.8989786592034892
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.9521401564363215
+Nc1ccc(cc1)C(=O)N,0.6531539915416417
+OCc1cccc(c1)[N+](=O)[O-],0.26344838916033525
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.030579606033805683
+O1C2C1c1cscc1-c1c2csc1,0.624252199654593
+FC(C(C(Cl)(F)F)(F)F)Cl,0.08854157694548491
+O=Nc1c(O)ccc2c1cccc2,0.8636211029857452
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.3996003839308572
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.08846096276776327
+CN(c1ccc(cc1)N=Nc1ccccc1)C,0.9295462130571231
+CNC(=O)Oc1cccc2c1cccc2,0.8173183590881752
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.08852097646553564
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.24012848527354538
+ONc1c(C)cccc1C,0.6730670546384697
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.914544491617822
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.8638514396633722
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.5066526049781725
+COS(=O)(=O)OC,0.559408786812809
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9175369228743934
+Nc1cnc2c(c1)c1ccccc1cc2,0.9644374552959428
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0.08846111951915715
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.12932043125715714
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,0.8997551655272832
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.07113100840412978
+c1cc2ccc3c4c2c(c1)cnc4ccc3,0.8610529182353381
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.8819786646844253
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,0.08855729508740964
+CC(=O)O,0.06881054172535762
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.7356788923560034
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.21317031343042225
+CS(=O)(=O)OCCCCOS(=O)(=O)C,0.9686058970574077
+CC1(CO1)C1CO1,0.9202224984123728
+CCNc1nc(NC(C)C)nc(n1)O,0.10198360171719331
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.9865372751682745
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.13411760280004856
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,0.03694517210949384
+C=CC1CC2CC1C=C2,0.0610963967584467
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.15908978462078424
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.4059394741805938
+CNC(=S)N(C)C,0.10197188764210426
+Cc1cccc(c1)Br,0.061277129584858495
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.255227124259748
+CCCCCC(=O)OCC=C,0.05497608155588377
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.14613491817000113
+CNP(=S)(N1CC1)N1CC1,0.33150424427790093
+Sc1nc2c(s1)cccc2,0.2052614537931531
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,0.08774245743879182
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0.08848414111300011
+CCOP(=O)(N(C)C)C#N,0.08850294635030892
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.08844865082585734
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.4109413355111106
+C/C=C/c1cc(OC)ccc1OC,0.3451105911234303
+OCCC(C)C,0.0844260739128271
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.05269736351333647
+CCOc1ccc(cc1)N(C(=O)C)O,0.5453241613014054
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0.08844771071244854
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.088478487163229
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6640383796382909
+CNc1ccc2c(c1N)cccn2,0.9251507790652219
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.9201987474502488
+NCCc1c[nH]cn1,0.15915697200381876
+Nc1ccccc1S(=O)(=O)O,0.11273507254927358
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.9734573571545818
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.9286493080628073
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.9132491168107897
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.8270614211141781
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0.08847063900651549
+OC(=O)C(Cl)(Cl)Cl.[Na+],0.08816721739824777
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0.6064817460440151
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.8667112033792223
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.16380766030948016
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.842894293262006
+Clc1cccc2c1nccc2,0.3351893714761018
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,0.8178011876008657
+OCCN1CC1,0.07719812280848504
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9854638906730655
+OC(=O)CCCC[C@H]1SSCC1,0.09134932909628317
+Cc1nsc(c1)N,0.6282083219616208
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.9038729147527965
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.44328816066531196
+OCc1ccc(cc1)C(F)(F)F,0.01977991989630374
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.08612698107734998
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.1309725452699552
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.9201725801388944
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.9503913664993822
+OC(=O)C[C@@H](C(=O)O)C,0.09458217623063653
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.09188506904366332
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.36308444893101194
+CC(OC)CCO,0.1432412614458173
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.12472577492456434
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.13491468545579646
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.9304523793037242
+ClC(C(=O)C)Cl,0.467039295886256
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.07317866175334
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.15429791001086984
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.7164685425666472
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.9432026070637705
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.08845645681366941
+C=Cc1ccccc1Cl,0.13321762072295695
+CNCCCC(=O)O,0.039961828421661696
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.06965889829284493
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.12753810998099113
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.6829871496485467
+Oc1ccc(c(c1)O)C(=O)O,0.043368601890980976
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.5851677418264695
+C=CCc1ccc2c(c1)OCO2,0.13388446674209573
+ONc1ccc(cc1)C,0.9197473351169451
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5575297639899013
+Cn1c(N)nc2c1cc1ncccc1n2,0.8444302851966241
+O=C(C1(C)OC1)NCc1ccccc1,0.8243946001946665
+COCCOC,0.1218440416009813
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.920147204853905
+CCCN=NC(OO)(C)C,0.8048713714183219
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.35226248972151125
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.46399087548066675
+c1cc(cc(c1)c1ccccc1)c1ccccc1,0.8179985890663712
+Nc1cnc2c(c1C)nc1n2cccc1C,0.8851671614297778
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.9917588625132624
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.9060550612994539
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.5366937366672725
+OC1C2OC2c2c(C1O)ccc1c2cccc1,0.9105389369744182
+Oc1ccc2c(c1)cccn2,0.7194298042943915
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.4392243767222145
+CC=C,0.11758159070742993
+CCN(CCCC(=O)O)N=O,0.9300657963136568
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0.08844399394342241
+Clc1c(Cl)cccc1Cl,0.011615847578112471
+Nc1cnc2c(c1)cccc2,0.8133672909749072
+Cc1cnc(c(n1)C)C,0.14193854132415273
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.9611628789689411
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.806846576696624
+ClC(c1ccccc1)Cl,0.16377210393304648
+N#C/C(=C\c1ccco1)/C(=O)OC,0.08296863961186457
+c1ccc2c(n1)C1OC1C1C2O1,0.08850257900117585
+CN(NC(=O)CCC(=O)O)C,0.1059834816710023
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.2175695543559152
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.9917588625132624
+OC(C(F)(F)F)C(F)(F)F,0.06652906329692107
+COc1cc2nc3cc(N)ccc3nc2cc1N,0.9821068730615063
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],0.7725634597676415
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.09047515877639307
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.44007709238328563
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7986178837880604
+CN=[N+](C)[O-],0.08602408700419518
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.09857804200969655
+OC(=O)c1cccc(c1)C(=O)O,0.037161144630638535
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.9482551018578592
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.07247788539326289
+COC(=O)CCC(=O)OC,0.140919291319095
+Oc1ccc2c(c1)cc[nH]2,0.4357223973727061
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.9613771086369051
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.9653712655992494
+[O-][N+](=O)c1cnc(s1)N,0.8843332807883624
+Oc1cc(O)c2c(c1)oc(=O)cc2C,0.08105520429168755
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.9320971777803044
+Oc1cccc(c1)Nc1ccccc1,0.39235530342410707
+[O-][N+](=O)c1cccc(c1C)N,0.8918356373700344
+OCC#N,0.1363347491442008
+Clc1cccc(n1)Cl,0.09953060903093833
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0.09445082304638966
+CCOC(C(=O)C(O)O)C,0.25695076356366886
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.08851015427367248
+OC(COc1cccc2c1C=CC2)CNC(C)C,0.10345195523600415
+CC(C(=O)OC)CN=N#N,0.8416364368090111
+O=CCC=O,0.17588852964336815
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.9897667626691883
+OC1C=CC=CC1O,0.5227271433371063
+BrCCC(CCBr)(CO)CO,0.8119812990133995
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.4947057238981421
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.08839572781441561
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.5094377130368697
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.5
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.8674855995720285
+O=Cc1ccc(cc1)O,0.054396313198643124
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.08854768181021501
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,0.5789331161218008
+CC(=O)Nc1cccc2c1-c1ccccc1C2,0.8223059106125681
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0.05124266733909112
+OC(=O)c1sccc1S(=O)(=O)N,0.07615211266943488
+NCCCN,0.11527133652863006
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.11932779111059419
+CCN1CCOCC1,0.05298423171610585
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9295752038028037
+S1CC1,0.20833541784541096
+n1ccc2c(c1)cnnc2,0.3086319275923734
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.9201223975473417
+COc1ccc2c(c1)[nH]c1c2CC[N@@]2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.1804304471093088
+ClCCCBr,0.9587244202312881
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.9109736720424276
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.569648127715224
+CC(c1ccc(c(c1)O)C)C,0.0759400436057031
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.09149824236367307
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.260970110241556
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.630016754180313
+NC(=S)c1c(Cl)cccc1Cl,0.1100155371475881
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.15772682461713192
+C[n+]1cccc(c1)C(=O)O,0.05647290877010682
+ONc1cc(C)cc(c1)C,0.8091511723602718
+OCCOCC,0.0885468455701063
+O=NN1CCO[C@H](C1)O,0.920219207940536
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.08844689645976972
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.11217293624426088
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.7832467153105539
+CCOC(=O)C,0.2531390686669855
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.9154472371556782
+ONC(=O)c1ccc(c(c1)O)O,0.7235944068310304
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.12247275060413007
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.2741659378260333
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.300130843691132
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.37826880282271436
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.9202273486126537
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.13674747077961427
+CC[C@@H](CN)O,0.12447413588822209
+C/C(=C\C=O)/Cl,0.8544745181859864
+[O-][n+]1cnc2c(c1N)[nH]cn2,0.9202444526235045
+NC(=O)c1ccccc1O,0.2239420824115689
+Oc1ccccc1O,0.20904187932514612
+Cc1cccc(c1)C(=O)O,0.059225174064809386
+O=C1c2ccccc2-c2c1ccc1c2cccc1,0.7076617622046721
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.43319811728119
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.9201977260330312
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.87702699292145
+ONc1cc(C)ccc1C,0.8309524510966161
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0.12191389696214225
+O=NN1CCCN(CC1)N=O,0.9695290667725821
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.9290664185058479
+CC(Br)(C)C,0.031350096442667265
+CCCCCCCCCCCCCCCC(=O)O,0.02332171813095143
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.08850589308643247
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.9725943256665841
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.932157645192459
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.9094875696175799
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.959249374377515
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,0.6416482451948784
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0.1719894710027076
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.9201780348368472
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.8344551255321225
+COc1nncc2c1cncc2,0.10796921635271962
+COP(=S)(SCC(=O)NCC=O)OC,0.2857675806247574
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.7534385334510424
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,0.1595246209062623
+ClC1CCN(CC1)N=O,0.9653139773344754
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.5290848655826971
+BrCCCCCCCC(=O)O,0.5056475946099604
+COc1cccc2c1C1(C)OOC1(O2)C,0.8348597040591608
+Cl/C=C(\SCc1ccccc1)/Cl,0.6252701507962309
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.906832081948685
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,0.0350721796445925
+Cc1c(C)ccc(c1C)C,0.1301187456154574
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.07404680557147554
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.12038424793764627
+O=Cc1ccc(cc1Cl)Cl,0.14364792030383497
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0.318246268728409
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.08844129275732485
+C1CCSCS1,0.18970548804109666
+CCCSP(=O)(SCCC)OCC,0.1190878560699986
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0.10694070736254571
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.16870936786656893
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.8986921932248413
+O[C@@H]1OC(=O)C(=C1Cl)Cl,0.9201345412852967
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.098189615263965
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,0.08849386994825428
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.9723522736335355
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.464138879297576
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9271621655435471
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,0.981989773295368
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.8191870348759928
+CCc1nc2c(nc1CC)ccc(c2C)NC,0.8281775533211657
+CCSCCOP(=S)(OCC)OCC,0.07906287117059604
+CC(=O)OCc1ccccc1,0.2996944179699007
+COc1ccc(c(c1)O)C(=O)c1ccccc1,0.8927260004708953
+CCCN(c1snc2c1cccc2)C(=O)CCCl,0.4934441979352801
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.9653567746387305
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,0.08849445008200083
+CC(C[C@@H]1NC(=O)CNC1=O)C,0.08844763914269343
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.08853154696592981
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,0.599273745909894
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,0.08843275610249247
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.0763116090471602
+CC(C(C)(C)C)OP(=O)(F)C,0.06745703020382211
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0.16154258930924922
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.9001220667593837
+BrCc1ccc(cc1)[N+](=O)[O-],0.7569943175989048
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.5
+[O-][N+](=C1CCCC1)[O-],0.2867575022062077
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.7105300058661991
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.0870282009669619
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.05768525068795502
+O=NN1CN2CN(C1)CN(C2)N=O,0.9342040862964596
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.913119443988047
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.1800566201183286
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.6485956396988709
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0.07573329562073486
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.04216356156498736
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.13610351154280648
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,0.40444032451886797
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.9822790316316145
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.08315492482238891
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.2261238426902974
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.17190349110704914
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.9482551018578592
+O=C(C1(C)OC1)Nc1ccccc1,0.7842995534771575
+CCc1nn(c(c1Cl)C(=O)N)C,0.1076175931424761
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.9684873439141222
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.950927440326426
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.51935792605198
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,0.088497203786252
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.12060998936599292
+N#Cc1cc(c2ccncc2)c(nc1O)C,0.14470969661742675
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9898465802174202
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.06009663465740083
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0.08726758090438953
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9913352227576067
+Nc1nc(N)nc(n1)N,0.06068707678997889
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.9684873439141222
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.7054211461857234
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.07030242619680566
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.9565980587292131
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.8645194564365623
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.7486416851368429
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.9608107428270761
+N#C[Se]Cc1ccccc1,0.19295490313748384
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.08855285844224095
+C1CCCCCC2C(CCCC1)O2,0.07008739100294324
+Oc1ccc(cc1O)C(C)(C)C,0.093028760108778
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.07749814293234271
+Cc1cccc(c1O)C,0.09458537793726961
+Oc1ccc(c(c1)C)Cl,0.02844477876511626
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.5874977918536929
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.7329831714684153
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.2228422075116336
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.3043580472292966
+C/C=C\C=C,0.23961343270017785
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0.16285688110227114
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,0.9201396352878503
+C=O,0.17288480344577584
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.08848474691087975
+CCNc1nc(N)nc(n1)Cl,0.08525180389833062
+OC(=S)c1ccccc1,0.18602944424070567
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.22194374960006835
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,0.08843736343266045
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.6043450243873171
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0.900981812655124
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.27721287236860986
+C=Cc1ccncc1,0.07301611906254558
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.03777455922843973
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.07210785902983008
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.4465784207290641
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.30336874565003147
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,0.8862286823903802
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.9063448762829841
+OC(=O)c1cccc(c1C)[N+](=O)[O-],0.7284943891918605
+ClCc1cccc(c1)CCl,0.19380045651345695
+Cc1ccc2c(c1)nc([nH]2)N,0.438094851127489
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.9353885107627297
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.04672695635580633
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,0.7719990118286675
+c1ccc(cc1)NNc1ccccc1,0.5171512596578088
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.9365188686797713
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,0.898782378708558
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0.03598230491035541
+Clc1cccc2c1cccn2,0.6140169901362571
+O=NN(c1cccnc1)C,0.6529485446498096
+N#Cc1ccc(cc1)C(=O)O,0.047261453348237344
+CCCCCCCC(=O)Nc1snc2c1cccc2,0.060236891880951375
+ClC1=CC(=O)C(C1=O)(Cl)Cl,0.6330979495523158
+OC[C@@H](CI)O,0.1751935838987684
+OCc1ccc(cc1[N+](=O)[O-])N,0.8105780940284149
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.07553278525138377
+CCCCc1c(=O)nc([nH]c1C)NCC,0.1361551922011954
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.17396738889269517
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.6780957969948407
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.04432175975392628
+CCCCc1cc(C)cc(c1O)CCCC,0.0953924492827274
+O=NN(Cc1cccc(c1)Br)C,0.8765110998921288
+CCOc1nc(NC)nc(n1)N,0.09502786718379322
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.08842191332517234
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.6402150384606997
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.088474435875675
+c1ccc2c(c1)cnnc2,0.3989891149182882
+FC(c1ccc(cc1)Cl)(F)F,0.015418286181471156
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9858310265788601
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,0.060607769862343105
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,0.18754908601056122
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.4883028908209143
+Oc1ccc2c(n1)cccc2,0.5
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.19755600173158222
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.7137278579196978
+c1ccc(cc1)c1ccccc1OCC1CO1,0.9290351852142488
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.8799643569457891
+c1ccc2c(c1)nccc2,0.8163605739491137
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.9887709374246874
+CC(=O)Nc1cccc2c1cccn2,0.8066441025855241
+O=CC=O,0.7157550409081547
+O=Nc1n(C)cnc1c1ccccc1,0.9060573421564003
+CC(CNc1snc2c1cccc2)C,0.10757816408644176
+BrC(C(=O)O)Br,0.11794052434542995
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0.4505676716336991
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.14185344659805854
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.08852750580045853
+CC(OC(=O)C(=C)C)C,0.08298757198397591
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.2393676725260185
+OCCN1CN(CCO)CN(C1)CCO,0.22299672194694115
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.06748895443527426
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0.08854082201159126
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.12746371445504648
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.10601781156582106
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.1804304471093088
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.036315206397285
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.09700973425887528
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.15442375548017864
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.954309305544052
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.23492634347940655
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9540319040550053
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.9201450479485869
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.9043462220878923
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.9202134868399551
+CCOC(=O)N(CCOC(=O)C)N=O,0.9086987513524744
+Cc1ccc(c(c1)O)C,0.0847834256402437
+Nc1ccc(cc1C)NOS(=O)(=O)O,0.9673812115309823
+CCCCOCC=O,0.10658676367580075
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.8980818022883105
+BrCc1ccccc1[N+](=O)[O-],0.6746624703028098
+O=C1C=C(C)C(=O)c2c1cccc2,0.6206872903216307
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.08671433474360865
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.12336667962039033
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,0.9759625589961265
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.08749711688800862
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,0.8224635226268447
+O=NN(C(=N)N[N+](=O)[O-])C,0.909181799151652
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.15098063325677094
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.16277772685575967
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.08751371976765362
+O=Cc1c2ccccc2cc2c1cccc2,0.7880808857755173
+CC(CC(=O)Nc1snc2c1cccc2)C,0.1046182028804363
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0.31092993522479884
+CCCC[C@H](COS(=O)(=O)O)CC,0.0868169755253266
+CCCCON=O,0.9095463404604541
+[N-]=[N+]=NCc1ccccc1,0.7404082671253278
+CC(=O)OC[C@@H](CO)O,0.4459286187992205
+CCCCN(C[C@@H](CC)O)N=O,0.9297208682523512
+CNC(=O)NO,0.4091979734088725
+Cc1cnc2c(n1)cccc2,0.4418542790346037
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.9733607787370101
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,0.03185147022063408
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,0.8643219294478814
+[O-][N+](=O)c1ccccc1C(=O)C,0.8956582013934068
+[O-][N+](=O)c1cccc(c1O)N,0.8601646698702929
+CC(=O)OCN=[N+](C)[O-],0.3275230382220008
+CCC1(C)CO1,0.09481502316018656
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.9684057455026153
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.9351364092565597
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.06619450762441081
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.10763477222813982
+CCCCC/C=C\C=C/C=O,0.7442179701715184
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8552377517967107
+N#N=NC(c1ccccc1)c1ccccc1,0.8057447411852219
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.9275562486181653
+COc1c2ccc(cc2nc2c1cco2)O,0.8256293832219355
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9690758143910875
+FC(C1=C(C=N[N]1)C(=O)O)F,0.21378485297507
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9548489513831571
+ClCc1c2ccccc2cc2c1cccc2,0.9427484172979187
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.9319668058103089
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,0.09448658810708126
+O1CC1,0.08803566518439083
+NCCNCCNCCNCCN,0.15030419544066723
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.1943386080440068
+Nc1ccc(c(c1)O)C,0.799888279795088
+Oc1c2ccccc2nc2c1cccc2,0.8430332079916388
+ClCCl,0.18191213654874655
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,0.8420805847322339
+N#Cc1ccc(cc1)[N+](=O)[O-],0.938906481960564
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.09196759266887046
+CN([N+](=O)[O-])C,0.5674092350617449
+C/C=C\C=C/C=O,0.9210639069126796
+OCCN(C(=O)OCC)N=O,0.936528557855558
+S1CCSCC1,0.21500618692097934
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.9723276914453811
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.984561549840729
+CCN(c1ccc(cc1)N=O)CC,0.9363884751565482
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.9793907851882264
+COc1ccc(cc1)CN(N=O)C,0.9386105459393904
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.08762445526180619
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.9018616180335653
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.9377910819533656
+CCc1ccccc1N,0.5881114785340278
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0.09207321344457678
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.0761317437704776
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9889555172063539
+[O-][N+](=O)c1cc2c(cc1)ncn2C,0.9795220144306445
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.09599630441710653
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.6896480742020658
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.9166333082227837
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,0.7157820929407641
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.14391460963295616
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.11957594646180572
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.9517543440470846
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.5877065811144581
+O=C/C=C/C=C/C=O,0.9356065609223061
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,0.9471051150044135
+CCCCCCCCCCCCS,0.04789438323768169
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.19648074086959952
+COC(=O)CC(=O)OC,0.16494868761817397
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0.14302746867471822
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.9001085715308972
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],0.3694465118700917
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.7565705405918619
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0.02364424586576747
+CCOC(=O)CNC(=O)[C@H](Br)C,0.7995357745226049
+C1CC23C(C1)(O3)C=CC=C2,0.1358957630273699
+CC(CCNc1snc2c1cccc2)C,0.1206191787248966
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.7911764372241845
+COc1ccc(cc1N)NOS(=O)(=O)O,0.8617769099962374
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0.08675035151519248
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.09599795616678376
+Clc1nnc(c2c1cccc2)Cl,0.13196528152914722
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,0.8257197923003347
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.14164540381162022
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.33388473658336065
+OC(=O)[C@@H](CCl)Cl,0.24855086157761935
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.08491142456599925
+O=Cc1ccc(cc1)N,0.6547454012032154
+O=C=S,0.19634025090696586
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],0.9175575198149261
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.9371068001477362
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,0.8405536836182997
+CCCC(=O)OC1CCCCC1,0.03930199112126059
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0.06401108703452633
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.9382092631061232
+NN1C(=O)c2c(C1=O)cccc2,0.22031796843458523
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.36331593432682163
+Clc1ccc2c(c1)nsc2N,0.5
+NC(C(=O)O)CS/C=C/Cl,0.20421477774634056
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.8863292488853961
+CCN(c1cccc(c1)O)CC,0.44384402604589906
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.07907407861635278
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.9211408778021444
+CSCNc1ccccc1OC,0.5182667126832435
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0.794792272100618
+C#CCOCC[n+]1ccccc1/C=N/O,0.20953548680117715
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.11262515355180445
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.12306311343927732
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8438671343995463
+CCCCOO,0.4819889874311927
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.08756101646379595
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.7836683381898425
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.8248769074340518
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.9528209312022443
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.9694869320710275
+SCC(C(=O)O)NC(=O)C(SC)(C)C,0.12125018316318387
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.9892093795522287
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7828260584110418
+COc1nsc2c1cccc2OCC1CO1,0.8991718490596595
+CC1=NNC(=O)N(C1)N,0.2507480067351118
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.7747202037110297
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.9211370619950462
+NC(=N)c1ccccc1,0.046751166499300056
+O=c1ccc2c(o1)cc1c(c2)cco1,0.23112381913330385
+CC(c1ccccc1)CCN=N#N,0.8870462150416719
+C=CC(=O)OCCOCCOC(=O)C=C,0.07663849405171673
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.7942881074776325
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.9211410145213008
+ClCCOC/C(=C\Cl)/Cl,0.9207037488644013
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0.16292736863600296
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.08751672442482092
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.2897359306372666
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.9625386812211459
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,0.9562805429604962
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.9349212757461364
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.921095307300539
+ClC(=O)C(Cl)Cl,0.7816490837829648
+BrC(C1=C(Br)C(=O)OC1)Br,0.8581307401844807
+N#C/C=C/C#N,0.08760328945532828
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.04670749887416163
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.8162956230706477
+Oc1cc(Cl)c(c(c1)Cl)Cl,0.01600283403890861
+C[C@@H]1O[C@@H](C)CN(C1)N=O,0.9544442736514368
+Clc1ccc(c(n1)C(=O)O)Cl,0.043447231398638715
+BrC=C,0.22962587097424694
+O=C1NCC[n+]2c1cccc2,0.29953680622672274
+OC1C(O)C=Cc2c1cccn2,0.17370623357413842
+OC1C=Cc2c(C1O)ccc1c2cccn1,0.8740749290137688
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.981915315149628
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.860361175397473
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,0.9649538164959128
+CSC(/C=N\O)(C)C,0.08761933840903278
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.7764095810666459
+ClC=C(C)C,0.25900476319062943
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.5911790956427915
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,0.927786133471222
+FC(n1c(C)n[nH]c1=O)F,0.12601216329898068
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,0.9273203443499334
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.8261198257561321
+Cc1ncc(nc1)C,0.09671946990329099
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.825134402912002
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],0.9790158214532615
+OC(=O)Cc1ccccc1Cl,0.03291605557188042
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.5846107905376812
+OC(=O)C(Cc1ccc(cc1)O)N,0.1438768031478748
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.8088186430503405
+CNc1ccccc1N,0.8034636255638031
+COC1=CC=CC=CC1,0.4404719020560966
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0.16201468409973668
+BrCCOC(=O)C=C,0.7883888658312389
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,0.4680872332517048
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0.09196759266887046
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.0604757742249806
+n1ccncc1,0.08283064338080987
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0.7537275927802516
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.6387386082654266
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9708997364187806
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.5567116680074357
+Clc1cccc(c1)Cl,0.045064860177391045
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.9295833296401668
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.22909203809418097
+O=CC(=C(Cl)Cl)C(Cl)Cl,0.965121663040437
+Cc1ccc(cc1C)S(=O)(=O)O,0.01836442358970419
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.9693256649729746
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0.7831384229803203
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.1387806272789661
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.8386967448827275
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.8545133939011487
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.10637823079479446
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.12567264052478277
+OC(=O)c1ccco1,0.05464373399466568
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.08755080074456681
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.8823579046801744
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.834949146285228
+NC(=O)C=C,0.2035533086298942
+O=S1(=O)CC=CC1,0.14930292188356376
+C1CCC=CC1,0.17406219238006343
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.9635249488724019
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.5106475518065842
+Clc1ccc2c(c1)c1ccccc1o2,0.2542296757512802
+CCCCN(CCC(=O)OC)N=O,0.8930292138515427
+Nc1cc2cccc3c2c2c1cccc2cc3,0.9167025285110904
+[O-][N+](=O)/C=C/c1ccccc1,0.19635814583391215
+CC(=O)OC(=O)C,0.16007046138820885
+CCOC(=O)N(N=O)CC,0.9385563754823021
+O1CC1Oc1ccccc1,0.1873885502761393
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.8922155912124062
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.33999651876113984
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.07119523831227387
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.6897085361326882
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.9211154637890987
+CC(COC(=O)C=C)O,0.15154067719851896
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.9360981872697647
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.6156396973411316
+O[C@H](C(=O)c1ccccc1)c1ccccc1,0.09600384091180413
+CN(N=O)C[C@H](O)C,0.9514517638058093
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.9796801829284054
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.18913147266778135
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.6992308757906475
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.7571373011104715
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.30056545960123876
+[O-][N+](=O)c1c(C)ccc2c1cccc2,0.8246750887666658
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.08751095324816634
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.9909739594405162
+OC(=O)CCC(=O)O,0.06106933907883118
+C[C@H](CO)Cl,0.6907840520228421
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.1984695906878317
+c1ccc2c(c1)Sc1c(N2)cccc1,0.26079381353828657
+Fc1cccc(n1)F,0.19836052413054417
+C/N=N/O.[K+],0.9007086348337727
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,0.9236569415827105
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.13261153507523268
+OC(=O)/C=C/c1c[nH]cn1,0.14373176060036025
+C=CCN=C=S,0.14651269523842111
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.7199924599166382
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.5382668208698449
+[O-][n+]1ncc2c(c1)cccc2,0.21719041069333841
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.7286736198541832
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,0.551464720949748
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.8884911499688112
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.8644749311411757
+COC(=O)C(=C)C,0.1530178075364832
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.9834648745850626
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.25682401101530766
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,0.9587580080262993
+CCC/C=C(\C=O)/CC,0.3428787496688093
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.8536303521081516
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.25921480366884764
+NC(C(=O)O)Cc1ccccc1,0.11825828920798691
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,0.8529919937961506
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.07414156156853927
+C1OCCO1,0.14712293132973672
+NN(Cc1ccccc1)Cc1ccccc1,0.2152132339000863
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.21565987087192812
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.9494272897592869
+BrCC(=O)c1ccc(cc1)Br,0.17250812979565008
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,0.5303753187123486
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.9701033697053439
+COC(=O)CCl,0.29967822080383894
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0.12402583913424155
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.1746704459076599
+CC(C(=O)NCc1ccccc1)Br,0.9381733931693715
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.9670713684549447
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,0.3848074138561395
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.9021934716946978
+CC(=O)c1ccc(s1)[N+](=O)[O-],0.8845121695819737
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0.08666189975690712
+OCC(C)C,0.10460918767642814
+Fc1cnc2c(c1)ccc1c2cccc1,0.7366348752844729
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.18593385284146285
+ClCC=O,0.42904477273790004
+CC(CC(C)(C)C)(CC(C)(C)C)S,0.14395722599492375
+CC1(C)C2CC3C(C1C2)(C)O3,0.10637823079479446
+COCCCN,0.16371435867153925
+OC(=O)C=C,0.08683353457490779
+NCCC(N)C,0.07699521254544434
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.10271471066811427
+Clc1cc(Cl)cc(c1)Cl,0.044079735713850036
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.8637643992347634
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.48004559234081684
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,0.9211055257159719
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9858158306552904
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.107150802486204
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.26379330918851207
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.9265917832707733
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.1072315171757985
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.8781691785963652
+CN(C=O)N,0.21414151504412296
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.0804379975148297
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.9609223091380672
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.3900522461718377
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.8278617698016335
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0.07723290645525478
+CCCCCCOC(=O)C=C,0.05192720121759189
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.27729906068920496
+Nc1cccc2c1nc1c(N)cccc1n2,0.9473526658054583
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.05846023037410316
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.2320066895228552
+[O-][N+](=O)NC(=N)N(N=O)CCCC,0.9449825485572045
+CCCCCCNCCCCCC,0.040143927754819876
+Cc1c(C)cccc1N,0.7776929223711305
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.9669576436153215
+Cc1ccc(cc1)CC1OC1,0.9373400274965414
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.08756126985690411
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.23711349024041728
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0.14019451102509928
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.9927188563309979
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.3634665960625381
+Cc1cccc(c1)[N+](=O)[O-],0.709734335813452
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,0.06662035131772245
+CNC(=O)Nc1ccccc1,0.06112177059941918
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0.14699488960488524
+O=C(C(Br)(C)C)NCc1ccccc1,0.33456663545363696
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.22771959045159662
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.9678030878853804
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0.8722167526356805
+O=Nc1ccc(cc1)Sc1ccccc1,0.940715784252155
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,0.1628150634990161
+C1CCCN1,0.13853491718243047
+CCOC(=O)C1C(C1(C)C)C=C(C)C,0.08755691121140269
+Nc1cccc2c1-c1ccccc1C2,0.9583264649778678
+BrCBr,0.18191213654874655
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,0.9211266215522771
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.09649552042517716
+CCCCOC(=O)/C=C\C(=O)OCCCC,0.13505239425164026
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.891880935302803
+O/N=C(/c1ccc(c(c1)O)O)\N,0.6225158049381257
+Cc1ccc(c2c1n(C)c1c2cccc1)C,0.8993879337450124
+CCCc1ccc2c(c1)OCO2,0.13659501519936917
+NC(=O)c1cnccc1C(F)(F)F,0.04877440943041457
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,0.3216212917354465
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.09691005593614228
+OC(=O)C(CC(=O)O)(CC(=O)O)O,0.09632888758203126
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.7689439166306292
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,0.8730491168697652
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.9066462638975702
+O=C1OCC1(C)C,0.1794246968779123
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.08757040107769834
+O=C/C=C/C(O)C,0.8689337667989896
+CCCCCCCCCCCCCCCCCCN,0.04039800313619288
+CCCCOCCOCCSC#N,0.09102724819695877
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,0.9210914271277854
+CCCCCCCCCCCCCCCCCCO,0.04652183608776529
+O=NN1CSCC1C(=O)O,0.6979991775281658
+C[Si](O)(C)C,0.1469735975098566
+O=NN1CCCCCCCCCCCC1,0.9740244561574893
+ONc1ccc(cc1)N=Nc1ccccc1,0.9852070969233782
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.9284365708527891
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.8459223201648027
+OC(=O)CS,0.09585518507716828
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.9699012091291417
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.9354221590685128
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.8626676520873221
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.12183432808429934
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.3433882813949579
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0.18025308737826207
+COc1cc(C=O)c(cc1OC)OC,0.30776827000874357
+C/C=N/N(C=O)C,0.394722735223004
+C=Cc1ccc(cc1)N,0.6503115265065507
+C=CC(=O)OCCOC(=O)C=C,0.10540504035987679
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],0.9751474295683459
+Nc1ccc(cc1)c1ccccc1,0.9399226642370667
+Oc1cccc2c1OC(C2)(C)C,0.08591862105042336
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.9666535311965737
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.20158651194020372
+Nc1ccc(cc1)Sc1ccc(cc1)N,0.9075028011592133
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.156947376084422
+Fc1ccc2c(c1)cccn2,0.9221620347631541
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,0.7284816899328505
+C=CCOC(=O)C=C,0.13868457867376507
+N#Cc1ccccc1,0.1153556582395626
+CCCCCCCCCCCCCl,0.104574223921695
+CC/C=C/C,0.1514357655296661
+CNc1ccc(cc1)/N=N/c1ccccc1,0.9211549300696869
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,0.4587049786039083
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.1111033381326242
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.7157360423084261
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.9813409248945122
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9748919284784503
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0.08752433739904185
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.8974892715400813
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0.2909683888613273
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.9443285174799455
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.599780111745686
+BrCC(C)(C)C,0.6840066446273025
+CC(O[P@@](=O)(F)C)C,0.08751707870512743
+c1ccc2c(n1)c1[nH]ccc1cc2,0.8437112800013994
+O=C1C=CC(=O)c2c1c(O)ccc2O,0.8036340017950747
+Nn1c2ccncc2c2c1cccc2,0.7104990254634629
+Nc1ccc(c(c1)Cl)Cl,0.5874551390989086
+N#CCc1ccc(cc1)Cl,0.08456423562923276
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.08762527142396659
+CCCC(=O)OCC,0.06882595439113036
+OP(O)O,0.16551158861537074
+OC1C(O)c2cccc3c2c2c1cccc2cc3,0.5194558516309395
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,0.07738584303687436
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,0.8099037340339916
+CCCCCCCCCCSCn1cc[n+](c1)C,0.4135941671619537
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.3219530955433817
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.9858067811110954
+Oc1ccc2c(c1)cccc2,0.6202747220790669
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.07178063697061188
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.8037472013491991
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.973007847098929
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.8994938015915401
+O=CCC(c1ccc(cc1)C(C)(C)C)C,0.06075905097277856
+OC1CCN(CC1)N=O,0.9441378354694381
+CCCCCCCC1CCC(=O)O1,0.025561856975755505
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.9647597890957733
+OCc1nc(N)nc(c1)C1CC1,0.07094893152910574
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.9313944889820822
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,0.9642807045812148
+C/C(=C/COC(=O)C)/CCC=C(C)C,0.0772182734877309
+C(C1OC1)CC1OC1,0.789488451179706
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0.2761971863497667
+O=NN(c1ccccc1)COC(=O)C,0.8209706955671481
+CN(C(=O)NC)N=O,0.904063042020779
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.8775711628556221
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.6237995154000433
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.9395206595878983
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.9618092387114326
+OCC12OOC2(C)c2c(O1)cccc2,0.8721167359915238
+ClCC(C(Br)(C)C)Br,0.5908561584899793
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,0.5983848932070395
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.9210950589550531
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.6205747224259914
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.9211540237480254
+COc1cc(N)ccc1NC(=O)C,0.9004571207837532
+COc1ccc(cc1)C(C=C)O,0.18498236786332986
+ClC[C@H]1CO1,0.9943216324099937
+CCNC(=O)CCC(C(=O)O)N,0.08757801209383749
+O=C1C=CC(=[N+]=[N-])C=C1,0.3336771898895741
+CCCCN(C(=O)N)N=O,0.9455054845573532
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.7780866790676205
+Cc1ccc(cc1)O,0.07761558020621773
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.9587331717090777
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.09722613996462048
+Cc1ccc2c(c1C)cccc2,0.7707078352314171
+CC(=O)C=C,0.2783740072382244
+BrC(C#N)Br,0.12785490382692377
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.08808071544069711
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0.0705805488080872
+N#CCC#N,0.11347657921030453
+C=CCCCC[C@@H]1OC1,0.46468014054052803
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.8919619435906453
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.913523993933877
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8612609558572832
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0.1652958968457722
+[O-][N+](=O)c1ccc2c(c1)ncn2C,0.9795220144306445
+CNC(=O)ON(C(=O)NC)C(=O)C,0.31543020154317564
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.4744163013255704
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.9886889134602104
+N=C(Nc1ccccc1)Nc1ccccc1,0.3938799823049381
+CCOC(=O)OC(=O)OCC,0.07523483574536932
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],0.8123884525978228
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.8619686301993909
+O1C[C@@H]1COc1ccccc1,0.926084938487819
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,0.7049692092552897
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.9456813947812506
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],0.9463185920164088
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.9362124096408474
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0.08754174127611507
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,0.46748100716568036
+[O-][N+](=O)[C@@H](CC)Cl,0.23568102446475425
+C[N+](Cc1ccccc1)(C)C.Cl,0.10520547320135565
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0.2123181131729144
+CCCCOCCOCCO,0.06391185108704234
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.11098038171990486
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.5
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,0.9700037917476673
+CCC/C=N\O,0.23609937351758292
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.9326053563369665
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8438671343995463
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,0.9706058202617234
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.12125018316318387
+Nc1ccc(c(c1)N)C,0.9827872630842285
+OCCNC(=O)N(CCCl)N=O,0.9821208933351858
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,0.3219530955433817
+Fc1c(F)c(F)c(c(c1F)Cl)F,0.0744221269548488
+OC1=C(O)C(=O)C1=O,0.11516309814004919
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.8728662485226603
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.9648415877337139
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.02354264701919564
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0.4030195703162044
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.9728824496569778
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.0875487614720851
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.9339838069268588
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.9286673086714721
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.960922901596787
+OCC(CBr)(CBr)CBr,0.8431535563271912
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.9470327189389154
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,0.8169090913724754
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.13188619707026292
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9671998510146969
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0.8646585259800794
+COc1c2ccc(=O)oc2cc2c1cco2,0.1277687223908652
+C1CC2=CC3C(C=C(C1)O2)O3,0.18015754365170275
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.7019940166127709
+Oc1ccc2c(c1)nc([nH]2)N,0.12829786844240063
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.9352958228491334
+CCO[Si](OCC)(OCC)C,0.15830327346613332
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0.5118399667418966
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.10977482741497965
+CCCCCCCC[C@H]1CO1,0.08755378859145416
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.47937108949288393
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.9347994523429011
+O/N=C/c1ccncc1,0.19329826440939335
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.14410198723052295
+COc1ccc2c(c1)C1CCCCC1C1C2O1,0.1840184565259367
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,0.9250580460601381
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.8424928696465863
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.9236837423509467
+COc1nsc2c1cccc2OC[C@H]1CO1,0.8991718490596595
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9580349915769172
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.7828260584110418
+COc1c(Cl)ccc(c1C(=O)O)Cl,0.0961254686155898
+N=c1nc[nH][nH]1,0.15789532088185118
+FC[C@H]1CO1,0.9143814614949385
+O1CCOCC1,0.08803566518439083
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.09073770325642803
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,0.8489995107064087
+Clc1ccc2c(c1)c(N)sn2,0.5103525579775662
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.7684843880809581
+OCCCCN(N=O)C,0.9715092492026557
+C=CCCC1CO1,0.8724482586489934
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.9210920963945791
+OCCOc1ccccc1,0.06446041150002653
+OC(=O)c1cc2ccccc2cc1O,0.38251141855486737
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,0.9190209701605696
+S(Cc1ccccc1)Cc1ccccc1,0.17012833139921163
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.2805320578576269
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.08300151137022437
+C[C@@H](ON=O)CC,0.6350310885709639
+OCC(=O)N(c1ccc(cc1)Cl)O,0.41837415875858974
+O=Nc1ncn(c1c1ccccc1)C,0.8724055539089066
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0.15684500162072773
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.2843067347838519
+O=CC(=C(C)C)Cl,0.8626886660017922
+CCCC[C@H](CO)CC,0.030493791111020453
+N#N=Nc1nc2c(n1C)cccc2,0.9353051986761356
+Clc1ccc(c(c1)O)Cl,0.08560464047194871
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.9438447106813095
+ClCC(=O)OC(C)C,0.17978945808428404
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.9553784941046075
+Oc1ccc(cc1)C(c1ccccc1)(C)C,0.08330600905752447
+O=NN1CCCCCC1,0.9740244561574893
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.9701033697053439
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.7530642636549191
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.29344489110011024
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.3061962514937227
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.9372576827784486
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.9611127535887054
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.4092262890105275
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.28421972181074595
+O=NN(CC(=O)C)C,0.9351161329233907
+O=c1n(CC2CO2)sc2c1cccc2,0.8367050071488843
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9625386812211459
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.9616774199346354
+c1ccc(cc1)NN=Nc1ccccc1,0.9148119986075204
+NC(C(=O)O)CSC(C(Br)Br)(F)F,0.12966585085348542
+OC(=O)/C=C/c1ccccc1,0.08460789087505037
+CCCCC1CO1,0.08755378859145416
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.9640225447118083
+CC(C#N)C=C,0.10232551532573379
+Oc1cc2nnsc2c(c1)C(=O)O,0.06696714811418554
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.15982180177726987
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.08753264717903447
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.9413893277586154
+CCCC(=O)c1cc(O)c(cc1O)O,0.2715937389405014
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.8383251591951995
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.822681094564486
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.10893355692217337
+Oc1[nH]cnc2-c1cnn2,0.18705925806257837
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.8194598007871672
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.08562629987690715
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.2755444408673859
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.42014628584923724
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.14932713478998985
+BrCC(=O)c1ccccc1,0.2851784282400924
+O1C[C@@H]1[C@@H]1OC1,0.913182757261112
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.9630208721590089
+C1CCCCC[C@H]2[C@H](CCCC1)O2,0.06099923471841044
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.12320568025923337
+CCCCCCCC(=O)Cl,0.25824957971123846
+ONc1ccc(cc1)c1ccccc1,0.9719465218342245
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.7981063700679655
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.8840120292792081
+[O-][n+]1cccc2c1C1OC1C=C2,0.3900255568227297
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.06861493343294471
+Nc1ncnc2c1cnn2CC(CN=N#N)O,0.8679324168207566
+O=C(Nc1ccccc1)CC(=O)C,0.09965593775250292
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.9366013121289777
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.9161928525187412
+O=CCC(CCC=C(C)C)C,0.08750082701230395
+N[C@@H](C(=O)O)Cc1ccccc1,0.11825828920798691
+Nc1ccc2c(c1)cccc2,0.9405710668413998
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.9772305594450279
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.20047446680590314
+FC(COc1nc(N)nc(n1)N)(F)F,0.055178356369072604
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.08221841567481887
+N[C@H](C(=O)O)CSCCCl,0.8942543845834381
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.6906413071073487
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.08746863487942731
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.9728824496569778
+Nc1cccc(n1)N,0.4635178279333268
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.09026009969629584
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.18359404054016776
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.06590313369228017
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.940885277532217
+CCN(c1ccccc1)N=O,0.8671213924814294
+[O-][n+]1ncc2c(c1)nccc2,0.22069308365513232
+Nc1ccc(cc1)Oc1ccc(cc1)N,0.9515101829071306
+Cl[C@@H]1CO1,0.21465413957271465
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.9855529890556873
+O=C1C=CC(=O)O1,0.33042651098230863
+CCCCOC(=O)c1ccc(cc1)N,0.12443744709737248
+Clc1ccc(c(c1)C(=O)O)Cl,0.0775979210292848
+O=NN(Cc1ccc(cc1)F)C,0.9311001013164516
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.3045072667880085
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.19888491342325534
+COc1ccc(cc1N)C,0.7032530277237233
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.08930164985870812
+ClC(c1ccccc1)C(=O)Cl,0.8033510899183343
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9668625350210801
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,0.9457894115191775
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.0890989064882306
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.4441524915098272
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.15828843340421006
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0.11651621539675353
+C1CCCCC1,0.08374809809514355
+Cc1cc(C)cc(c1)C,0.15674589010148887
+c1ccc2c(c1)[nH]c1c2ccnc1,0.8299584083540485
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.15811017611326836
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.9621481115651752
+OC(=O)c1cccc2c1snn2,0.09576419518121604
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,0.1169447297675008
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.0875293758030097
+CCOC(=O)C(=C)C#N,0.10442467569335517
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0.13730807380170557
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.8552377517967107
+CCCCN(CC(OCc1ccccc1)CO)N=O,0.8363559607169264
+Clc1ccc(cc1)S(=O)C,0.08752442565198226
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.9757355731401433
+Cc1ccccc1O,0.06529739990061209
+C[n+]1c2ccccc2cc2c1cccc2,0.9408608123029634
+O=C1C=CC(=O)C(=C1)C(C)(C)C,0.10526500529601997
+O=C/C=C\c1ccccc1,0.46971281655808295
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.09989482952513608
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.1527020207624463
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.8389223588401266
+CNC(=O)N(C(=O)C)O,0.17665032428449634
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.07648392660016752
+[O-][N+](=O)c1ccc2c(c1)CCN2,0.8153297693939486
+CC(=O)C,0.09592929859634544
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.9112346903434225
+[O-]P(=O)([O-])[O-].[Fe+3],0.16562505215239576
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.49344948186454807
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.9596246309965731
+CC(Br)C,0.4575550209730209
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.9601268156276863
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.0875750652728241
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.10429031525161016
+C/C=C/C=O,0.9047967548384023
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,0.9060225468418103
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,0.8682699187764329
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.921076343725796
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.9211483541396048
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0.1360786518600694
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.899870487556949
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9211279322584329
+O=S1(=O)OCCCO1,0.7924365927407835
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.9211418834699117
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,0.4439941238752345
+CC(=O)Nc1ccc(cc1)O,0.3816090723159182
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0.08713124903440964
+ClCc1c2ccccc2c(c2c1cccc2)C,0.9201880606811832
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.96199265072103
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.06826379774684915
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.6857769728992475
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.08756308682502731
+NCCc1c[nH]c2c1cccc2.Cl,0.19254644257735684
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.9688132353028859
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.9667717216034092
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,0.9187475538040946
+FC(=C(F)F)Cl,0.22106643542283042
+NNC(=O)CNc1ccc2c(c1)cccc2,0.6345414773623187
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.9418796939774221
+O=NN(C(=O)Oc1cccc2c1cccc2)C,0.972874415468933
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0.13304924785318428
+C[C@@H]1CNC[C@H](O1)C,0.18080381464885817
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.10215471683090882
+N#[N+]c1ccc(cc1)[N+](=O)[O-],0.9901638349578664
+O=C1CCCCC1=O,0.13073159408851887
+O=C1NS(=O)(=O)c2c1scc2,0.11968812225917572
+Nc1nc2c(n1C)ccc1c2cncc1,0.9327809072574985
+Clc1cccc(n1)C(Cl)(Cl)Cl,0.1804543360049134
+OC(=O)C(=O)O,0.11916640550289281
+[O-][N+](=O)c1ccc(c(c1)C)C,0.8159864249944709
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,0.6202076068668964
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.8922713035787223
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9528353472925046
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,0.4795499937942125
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.9458631264649581
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,0.9126128755292555
+ClC(Br)(Cl)Cl,0.19634025090696586
+Cc1ccc(cc1NCC)O,0.2816492418389328
+OCCc1ccc(cc1)[N+](=O)[O-],0.955502275097699
+CCCN(CCCCO)N=O,0.9522712515816948
+c1ccc2c(c1)scn2,0.29015840028864454
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.32355353343833715
+FC(C(C(F)(F)F)F)F,0.10729512697116068
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.2678600864433825
+OCC#CCO,0.25131503040131337
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.8008801700703815
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0.09471350835792079
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.08762158261096398
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0.17481254457326592
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.8774071280855832
+NCCNCCO,0.1379482773527686
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.2429397407472708
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.9165232096420436
+OC/C=C/c1ccccc1,0.2794780937046468
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0.03472795530899821
+C=CC(=O)OCC(C)(C)C,0.08414590482830644
+ONc1nc(N)nc2c1nc[nH]2,0.814539575821147
+Nc1ccc(c(c1)S(=O)(=O)O)N,0.2437604331883977
+ONc1ccc(cc1)[N+](=O)[O-],0.9922605640314999
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,0.13120123888156954
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0.0875419983284795
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.1885954180414232
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.11640141526145993
+N#N=NCC(Cn1cnc2c1ncnc2N)O,0.979685867609547
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],0.9912784607980503
+O=C(C(=C)C)OCCOC(=O)C(=C)C,0.10358512866721409
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,0.8314471879846919
+O=C1C=CC(=O)C(=C1)C,0.06813828241201497
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.359302239429857
+ClOCl.[Cu+2],0.15084874353937314
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,0.31407012478376317
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0.08754886533641904
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.9387345426360528
+CC(COS(=O)(=O)c1ccccc1)C,0.1276378762699742
+ONc1nc2c(n1C)ccc1c2cccn1,0.9493732288835806
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.824577589177917
+ClC(C1=C(Cl)C(=O)OC1O)Br,0.8545051197474043
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.9237614316666064
+Nc1cc2ccccc2cc1N,0.9164642277177619
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.3412943525001322
+CC12OC1C1CCCCC1c1c2cccc1,0.1335973933028948
+CCCCCCCC/C=C\CCCCCCCCN,0.06591081000037573
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.9318387037116668
+NC(=O)NNC(=O)N,0.4794866017281104
+Fc1cc(F)c2c(c1)nccc2,0.8751093930603315
+O=C1C=CC(=O)C=C1,0.07670754983883332
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,0.6626014443289981
+COc1cc(ccc1NC(=O)C)NC(=O)C,0.4372826464529794
+N#CC(c1cccc(c1)Oc1ccccc1)O,0.11727794324721959
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4182374542689105
+OC(=O)COc1ccccc1,0.023647453766079334
+NC(C(=O)O)CCCCNCC(C(=O)O)N,0.2429397407472708
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.06293430966783096
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.1996469035178457
+[O-][N+](=O)c1c(N)cccc1O,0.9095743987828202
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.3609810963578797
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,0.839737530255808
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.9023593064627129
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.08756327991397184
+ClC(=O)c1ccccc1,0.9370857098835538
+CC(COC(=O)Cc1ccccc1)C,0.09719508197127102
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.9506641973080702
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0.16781197268016687
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.08754663121167343
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.9211180115229329
+OC(=O)[C@H](Br)Cl,0.1088143932038573
+ClCC1=CC(=O)OC1,0.7538225060387874
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5
+ONc1ncnc2c1ncn2Cc1ccccc1,0.9120257634939908
+ClCC1=C(Cl)C(=O)O[C@H]1O,0.9604010465801204
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9524708092419059
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.507110598554288
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.8754796947731064
+CCc1ccnc2c1cccc2,0.2804741175464109
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.08895323633558658
+CCCCN(CCCC(=O)O)N=O,0.9161588573446197
+CC(=[N+]([O-])[O-])C,0.2918715216515938
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.973007847098929
+NNc1ccc(cc1)C(=O)O,0.3956137260645281
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.8742193194493214
+ClC/C(=C(\C(=O)O)/Cl)/C=O,0.9383967657959909
+[O-][n+]1cccc2c1c(O)ccc2,0.5483903220199753
+c1ccc(cc1)c1nc2c(o1)cccc2,0.07667305723299943
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8592579697919138
+O=C1NC(=O)NC(=O)C1(O)O,0.28591599807276136
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.8268935538643252
+ClCCN(c1ccc(cc1)C)CCCl,0.9034852263225785
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.7466663890740477
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.12714361818789532
+CC(=O)CC(=O)C,0.09656124955531038
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9419792499943623
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8895495437332853
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,0.08753454195230488
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.9165610468363647
+ClCCN(CCCl)CCCl,0.9187154927991915
+N#Cc1c(Cl)cccc1Cl,0.053100937703532594
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.7522071262992378
+CCOP(=S)(OCC(C)C)SCCl,0.07211886564014702
+CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O,0.8957974774846036
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.9468880499356465
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.9211555298661721
+CCCOC(=O)C(=C)C,0.08266504868515512
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.24167777654544084
+C/C=C/c1ccc(cc1OC)OC,0.4564036010596251
+CCCCC(CCCC)(CCC)S,0.06137561323283599
+COP(=S)(Oc1ccc(c(c1)C)N)OC,0.8502096296870442
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.9469721650018483
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.14578840089174722
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,0.8176202332918301
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0.021833129106681226
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.8241021210387609
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.964034821101221
+N#Cc1cccc(c1)C,0.11191281826306447
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0.8945767276509222
+OC(=O)/C=C/Cl,0.2207620935432494
diff --git a/crossvalidations/mp2d/tensorflow/prediction-v5-ext.ipynb b/crossvalidations/mp2d/tensorflow/prediction-v5-ext.ipynb
new file mode 100644
index 0000000..d00bb7e
--- /dev/null
+++ b/crossvalidations/mp2d/tensorflow/prediction-v5-ext.ipynb
@@ -0,0 +1,11388 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from keras import optimizers, regularizers\n",
+    "from keras.layers import Dense, Dropout, Input\n",
+    "from keras.models import Model, Sequential\n",
+    "from random import shuffle\n",
+    "from scipy import interp\n",
+    "from sklearn.linear_model import LogisticRegression\n",
+    "from scipy.stats.mstats import gmean\n",
+    "from sklearn.ensemble import RandomForestClassifier\n",
+    "from sklearn.metrics import roc_curve, auc\n",
+    "from sklearn.model_selection import StratifiedKFold, train_test_split\n",
+    "from sklearn.preprocessing import QuantileTransformer\n",
+    "import contextlib\n",
+    "import glob\n",
+    "import gzip\n",
+    "import h5py\n",
+    "import keras\n",
+    "import numpy as np\n",
+    "import os\n",
+    "import pandas as pd\n",
+    "import pylab as plt\n",
+    "import random\n",
+    "import scipy\n",
+    "import sklearn\n",
+    "import tensorflow as tf\n",
+    "from sklearn.ensemble import RandomForestClassifier\n",
+    "from sklearn.datasets import make_classification\n",
+    "from sklearn.svm import SVC\n",
+    "\n",
+    "\n",
+    "random_state = np.random.RandomState(0)\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "X_f_ext = '/home/drewe/notebooks/genotox/mutagenicity-fingerprints.csv'\n",
+    "\n",
+    "X = pd.read_csv(X_f_ext,sep=',')\n",
+    "X['Mutagenicity_bin'] = np.int32(X['Mutagenicity'] == 'mutagenic')\n",
+    "del X['Mutagenicity']\n",
+    "\n",
+    "X_f_ext = '/home/drewe/notebooks/genotox/mutagenicity-mod-2.csv'\n",
+    "\n",
+    "X_ext = pd.read_csv(X_f_ext,sep=';')\n",
+    "\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#X = pd.merge(X_ext,X[['Canonical SMILES','Mutagenicity_bin']],  right_on='Canonical SMILES', left_on='Name')\n",
+    "y = X['Mutagenicity_bin'].values\n",
+    "del X['Mutagenicity_bin']\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "names = X['Canonical SMILES'].values\n",
+    "X = np.float64(X.values[:,1:])\n",
+    "\n",
+    "\n",
+    "ix = [i for i in range(y.shape[0])]\n",
+    "shuffle(ix)\n",
+    "X  = X[ix, :]\n",
+    "names = names[ix]\n",
+    "y = y[ix]\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(8309, 9638)"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "X.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#X = sklearn.preprocessing.quantile_transform(X, axis=1, output_distribution='uniform', copy=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0163 - acc: 0.9900\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0161 - acc: 0.9910\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0145 - acc: 0.9909\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0138 - acc: 0.9912\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0134 - acc: 0.9905\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0134 - acc: 0.9906\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0132 - acc: 0.9912\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0132 - acc: 0.9910\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0132 - acc: 0.9914\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0131 - acc: 0.9918\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0129 - acc: 0.9920\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0132 - acc: 0.9905\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0130 - acc: 0.9912\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0129 - acc: 0.9909\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0130 - acc: 0.9910\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0129 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0130 - acc: 0.9905\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0129 - acc: 0.9920\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0128 - acc: 0.9921\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0127 - acc: 0.9912\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0126 - acc: 0.9925\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0127 - acc: 0.9920\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0126 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0125 - acc: 0.9916\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0133 - acc: 0.9914\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0126 - acc: 0.9912\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0127 - acc: 0.9920\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0125 - acc: 0.9913\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0126 - acc: 0.9921\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0126 - acc: 0.9918\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0132 - acc: 0.9914\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0127 - acc: 0.9918\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0126 - acc: 0.9921\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0130 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0122 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0124 - acc: 0.9920\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0178 - acc: 0.9904\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0178 - acc: 0.9905\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0179 - acc: 0.9908\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0177 - acc: 0.9921\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0186 - acc: 0.9894\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0177 - acc: 0.9905\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0177 - acc: 0.9902\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0175 - acc: 0.9908\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0178 - acc: 0.9909\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0176 - acc: 0.9910\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0175 - acc: 0.9901\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0175 - acc: 0.9913\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0175 - acc: 0.9902\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0177 - acc: 0.9909\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0173 - acc: 0.9906\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0175 - acc: 0.9912\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0175 - acc: 0.9902\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0174 - acc: 0.9900\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0173 - acc: 0.9910\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0172 - acc: 0.9904\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0177 - acc: 0.9904\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0174 - acc: 0.9916\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0173 - acc: 0.9908\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0173 - acc: 0.9910\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0172 - acc: 0.9912\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0171 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0172 - acc: 0.9913\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0169 - acc: 0.9910\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0171 - acc: 0.9909\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0168 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0172 - acc: 0.9904\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0170 - acc: 0.9914\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0168 - acc: 0.9918\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0167 - acc: 0.9914\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0166 - acc: 0.9910\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0166 - acc: 0.9917\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 105us/step - loss: 0.0166 - acc: 0.9913\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0165 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0168 - acc: 0.9909\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0167 - acc: 0.9913\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0166 - acc: 0.9910\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0166 - acc: 0.9914\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0168 - acc: 0.9916\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0174 - acc: 0.9912\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0165 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0165 - acc: 0.9912\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0168 - acc: 0.9913\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0164 - acc: 0.9913\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0164 - acc: 0.9913\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0164 - acc: 0.9916\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0206 - acc: 0.9904\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0199 - acc: 0.9902\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0200 - acc: 0.9908\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0197 - acc: 0.9909\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0195 - acc: 0.9906\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0198 - acc: 0.9908\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0204 - acc: 0.9908\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0199 - acc: 0.9898\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0195 - acc: 0.9910\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0195 - acc: 0.9908\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0194 - acc: 0.9912\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0194 - acc: 0.9909\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0195 - acc: 0.9900\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0198 - acc: 0.9910\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0197 - acc: 0.9913\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0194 - acc: 0.9913\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0194 - acc: 0.9908\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0194 - acc: 0.9904\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0194 - acc: 0.9904\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0192 - acc: 0.9913\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0195 - acc: 0.9908\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0198 - acc: 0.9906\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0194 - acc: 0.9909\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0199 - acc: 0.9906\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0193 - acc: 0.9909\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0192 - acc: 0.9910\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0192 - acc: 0.9904\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0191 - acc: 0.9909\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0190 - acc: 0.9910\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0190 - acc: 0.9917\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0191 - acc: 0.9913\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0191 - acc: 0.9912\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0195 - acc: 0.9898\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0193 - acc: 0.9905\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0192 - acc: 0.9902\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0190 - acc: 0.9918\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0192 - acc: 0.9902\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0189 - acc: 0.9910\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0189 - acc: 0.9912\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0189 - acc: 0.9910\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0189 - acc: 0.9909\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0193 - acc: 0.9912\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0191 - acc: 0.9908\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0189 - acc: 0.9908\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0189 - acc: 0.9909\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0188 - acc: 0.9916\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0189 - acc: 0.9914\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0188 - acc: 0.9909\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0188 - acc: 0.9906\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0187 - acc: 0.9914\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0152 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 86us/step - loss: 0.0153 - acc: 0.9913\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 83us/step - loss: 0.0154 - acc: 0.9913\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0152 - acc: 0.9909\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0151 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 91us/step - loss: 0.0150 - acc: 0.9912\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0151 - acc: 0.9908\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0149 - acc: 0.9910\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0149 - acc: 0.9909\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 84us/step - loss: 0.0150 - acc: 0.9917\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 93us/step - loss: 0.0151 - acc: 0.9904\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0151 - acc: 0.9909\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0148 - acc: 0.9914\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 85us/step - loss: 0.0150 - acc: 0.9909\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0149 - acc: 0.9910\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0149 - acc: 0.9906\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0148 - acc: 0.9920\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0149 - acc: 0.9916\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0149 - acc: 0.9910\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0147 - acc: 0.9906\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0149 - acc: 0.9913\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 87us/step - loss: 0.0150 - acc: 0.9910\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0147 - acc: 0.9914\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0149 - acc: 0.9908\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0147 - acc: 0.9908\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0148 - acc: 0.9910\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 87us/step - loss: 0.0147 - acc: 0.9922\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0147 - acc: 0.9909\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0147 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0149 - acc: 0.9913\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0147 - acc: 0.9908\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0147 - acc: 0.9912\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0147 - acc: 0.9909\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0147 - acc: 0.9914\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0147 - acc: 0.9909\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0151 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0147 - acc: 0.9924\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0147 - acc: 0.9912\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 89us/step - loss: 0.0147 - acc: 0.9908\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0146 - acc: 0.9914\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0146 - acc: 0.9920\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0147 - acc: 0.9913\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0147 - acc: 0.9910\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0146 - acc: 0.9913\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0146 - acc: 0.9914\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0146 - acc: 0.9909\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0146 - acc: 0.9914\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0147 - acc: 0.9917\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0146 - acc: 0.9910\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - ETA: 0s - loss: 0.0149 - acc: 0.991 - 1s 76us/step - loss: 0.0146 - acc: 0.9916\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 107us/step - loss: 0.0247 - acc: 0.9880\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0199 - acc: 0.9905\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0157 - acc: 0.9909\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0161 - acc: 0.9909\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0141 - acc: 0.9908\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0135 - acc: 0.9912\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0134 - acc: 0.9917\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 109us/step - loss: 0.0139 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 95us/step - loss: 0.0135 - acc: 0.9909\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 97us/step - loss: 0.0138 - acc: 0.9920\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0128 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0126 - acc: 0.9912\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0124 - acc: 0.9926\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 83us/step - loss: 0.0125 - acc: 0.9913\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0124 - acc: 0.9926\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 103us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 88us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 84us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0124 - acc: 0.9909\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 91us/step - loss: 0.0125 - acc: 0.9926\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 95us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0124 - acc: 0.9909\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0123 - acc: 0.9924\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9924\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 82us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9918\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9925\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9909\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "   0.914384871203606\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9933\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9918\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9936\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9936\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9928\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0106 - acc: 0.9936\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9938\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0105 - acc: 0.9925\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0104 - acc: 0.9937\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9921\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9932\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0111 - acc: 0.9928\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9920\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0141 - acc: 0.9922\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9938\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9928\n",
+      "Epoch 30/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9928\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9934\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9936\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9933\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9930\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9928\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9930\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9933\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9921\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9925\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9924\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9921\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9924\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9921\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0103 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9934\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9929\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9928\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9926\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9925\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9929\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9929\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9934\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0103 - acc: 0.9932\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9937\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0102 - acc: 0.9928\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9918\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9933\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9932\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9932\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9921\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9933\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9934\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0105 - acc: 0.9936\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9933\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9924\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9930\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9924\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9937\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9936\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9929\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9933\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9926\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0104 - acc: 0.9933\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9924\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9936\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9938\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9929\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9936\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9922\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9926\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9924\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9926\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9929\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0102 - acc: 0.9932\n",
+      "Epoch 44/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0102 - acc: 0.9929\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9932\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9932\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9934\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9934\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0103 - acc: 0.9929\n",
+      "   0.9019050046929862\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9914\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9934\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9916\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9922\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9917\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9917\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9922\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9916\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9928\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9936\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9920\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9933\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9917\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9926\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9934\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9920\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0150 - acc: 0.9920\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9920\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9918\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9925\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9920\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9920\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0113 - acc: 0.9914\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0106 - acc: 0.9921\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 81us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9933\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9934\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9929\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9930\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0104 - acc: 0.9924\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9930\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9929\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9929\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9934\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9932\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9920\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9922\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9925\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9926\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9926\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9924\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9928\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9932\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9934\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9926\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9926\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9932\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9917\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9936\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0103 - acc: 0.9933\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9925\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9921\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9924\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9924\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9921\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9928\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9926\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9920\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0105 - acc: 0.9934\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9932\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9928\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9932\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9926\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9926\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9930\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9925\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9933\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0105 - acc: 0.9928\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0103 - acc: 0.9932\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0104 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9926\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9926\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9924\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9924\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9934\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0112 - acc: 0.9932\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9932\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9928\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9933\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9924\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9934\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9932\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9928\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9932\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9933\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9929\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9933\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9932\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9933\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9932\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9936\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9934\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9934\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9933\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9930\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9930\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9934\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9918\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9936\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9930\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9934\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9933\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9932\n",
+      "   0.9113112550550991\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9913\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0133 - acc: 0.9914\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9916\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9912\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9920\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0141 - acc: 0.9921\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9917\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9910\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9924\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9905\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9909\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9916\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9909\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9908\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9908\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9922\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9917\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9910\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9912\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9906\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0134 - acc: 0.9918\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9906\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9910\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9909\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9912\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 23/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9913\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9912\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9922\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9914\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9926\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9914\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9909\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9905\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9912\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9917\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9922\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0130 - acc: 0.9913\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0133 - acc: 0.9912\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9922\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9909\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9912\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9918\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9912\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9929\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9928\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9926\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9914\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0134 - acc: 0.9909\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9917\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9912\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9909\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0139 - acc: 0.9913\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9909\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9910\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9920\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9905\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9913\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9905\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0358 - acc: 0.9870\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0490 - acc: 0.9837\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0349 - acc: 0.9866\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0274 - acc: 0.9882\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0215 - acc: 0.9908\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0204 - acc: 0.9900\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0182 - acc: 0.9914\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0184 - acc: 0.9909\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0170 - acc: 0.9902\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0169 - acc: 0.9916\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0167 - acc: 0.9917\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0165 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0164 - acc: 0.9916\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0163 - acc: 0.9920\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0163 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0162 - acc: 0.9914\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0162 - acc: 0.9922\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9914\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9910\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0162 - acc: 0.9921\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0160 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0162 - acc: 0.9912\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9913\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0162 - acc: 0.9917\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0163 - acc: 0.9913\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9910\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9916\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0160 - acc: 0.9914\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9920\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0161 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0160 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0160 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0160 - acc: 0.9905\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0160 - acc: 0.9925\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9908\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9902\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9910\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9921\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9908\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9913\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9925\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9909\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9913\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9909\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9913\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9913\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9913\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9922\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9916\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9916\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9924\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9910\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9914\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9914\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 37/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9925\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9926\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9917\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9922\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9910\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9920\n",
+      "   0.9081941853323908\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9917\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0137 - acc: 0.9918\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9904\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9908\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9921\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0135 - acc: 0.9913\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9916\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9917\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9910\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9913\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9922\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9908\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9910\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9920\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9914\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0167 - acc: 0.9906\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9921\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9930\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9920\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9917\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9912\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9910\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9910\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9922\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9925\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9926\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9928\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9924\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9924\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9916\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9909\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9924\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9914\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9917\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9926\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9916\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9928\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9916\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9916\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9925\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9922\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0116 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9918\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9916\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9910\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9917\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9925\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9918\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9930\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9924\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9929\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9918\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9929\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9914\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9918\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9921\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9912\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9922\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0140 - acc: 0.9917\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0252 - acc: 0.9897\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0436 - acc: 0.9845\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0273 - acc: 0.9884\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0297 - acc: 0.9874\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0342 - acc: 0.9869\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0324 - acc: 0.9869\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0235 - acc: 0.9893\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0166 - acc: 0.9922\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9922\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9925\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0138 - acc: 0.9924\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9918\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9930\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9920\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9918\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9922\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9925\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9922\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9929\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9926\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9922\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0139 - acc: 0.9918\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0130 - acc: 0.9925\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9925\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0184 - acc: 0.9900\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0220 - acc: 0.9898\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0270 - acc: 0.9873\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0241 - acc: 0.9897\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0266 - acc: 0.9892\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0185 - acc: 0.9901\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0178 - acc: 0.9908\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9914\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9917\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0128 - acc: 0.9920\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0117 - acc: 0.9916\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9926\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9926\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9928\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9929\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9929\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9917\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9928\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9928\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9918\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9925\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9925\n",
+      "   0.9113112550550991\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9929\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0325 - acc: 0.9882\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0389 - acc: 0.9850\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0277 - acc: 0.9880\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0192 - acc: 0.9908\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0178 - acc: 0.9902\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0263 - acc: 0.9890\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0208 - acc: 0.9893\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0153 - acc: 0.9910\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9920\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9922\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0135 - acc: 0.9913\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9925\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9918\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9921\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9926\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9922\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9921\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9928\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9916\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9933\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0110 - acc: 0.9928\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9918\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9929\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9934\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9926\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9932\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9929\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9922\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9917\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9924\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9913\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9929\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9933\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9926\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9929\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9922\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9929\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9929\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9925\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9917\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9920\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0106 - acc: 0.9932\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0214 - acc: 0.9898\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0223 - acc: 0.9892\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0183 - acc: 0.9909\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0142 - acc: 0.9913\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0143 - acc: 0.9910\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9912\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9917\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9916\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9922\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9914\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0116 - acc: 0.9922\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9926\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9932\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9921\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9930\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9929\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9929\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9914\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9932\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 48/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9933\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0116 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9912\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9925\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9928\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9926\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9933\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9930\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9918\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9933\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9929\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9933\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9933\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9928\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9917\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9914\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9913\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9928\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9914\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9914\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9924\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9925\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9928\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9916\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9926\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9914\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9916\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9924\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9918\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9925\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0106 - acc: 0.9922\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0107 - acc: 0.9926\n",
+      "   0.9024814887773902\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9924\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9924\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9913\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9924\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9924\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0122 - acc: 0.9908\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9906\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9925\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9925\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9925\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9928\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0136 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0133 - acc: 0.9916\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9914\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9917\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0135 - acc: 0.9908\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9909\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9918\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9916\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9918\n",
+      "Epoch 12/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9917\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9910\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0136 - acc: 0.9918\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9909\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9920\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9909\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9912\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9920\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9921\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9926\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9921\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9916\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9920\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9924\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9926\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9912\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9925\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9925\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9918\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9920\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9920\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9916\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9918\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9925\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9926\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9918\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9928\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9920\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0142 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9916\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9909\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9917\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9913\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9909\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9910\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9910\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9918\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9921\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0145 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0142 - acc: 0.9914\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9916\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0123 - acc: 0.9913\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 80us/step - loss: 0.0122 - acc: 0.9925\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 78us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 77us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9910\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9908\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9921\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9921\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9925\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9922\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9925\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0135 - acc: 0.9924\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9922\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9920\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9921\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9922\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9926\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9926\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9926\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9926\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9925\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9926\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9924\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9922\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9928\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9925\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9921\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9912\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9913\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9926\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9925\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9924\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9928\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9930\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9922\n",
+      "   0.9158884189792016\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0133 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9912\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0130 - acc: 0.9910\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9908\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9904\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9914\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9908\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9920\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9913\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9916\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9917\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9910\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9918\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9905\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9912\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9924\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9910\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9916\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9917\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9909\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9906\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9912\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9926\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9912\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 70us/step - loss: 0.0119 - acc: 0.9913\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9920\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9922\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0128 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9913\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9904\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9906\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9909\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9912\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9902\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9912\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9913\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9912\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9917\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9910\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9918\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0137 - acc: 0.9908\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9912\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9918\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9913\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9910\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9905\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9908\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9913\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9920\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9905\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9912\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9910\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9910\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9925\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9914\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9904\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9912\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 41/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9913\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9925\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9910\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0199 - acc: 0.9898\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0196 - acc: 0.9904\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0192 - acc: 0.9910\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0194 - acc: 0.9912\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0193 - acc: 0.9908\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0190 - acc: 0.9906\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0190 - acc: 0.9904\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0189 - acc: 0.9910\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0190 - acc: 0.9912\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0192 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0190 - acc: 0.9900\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0188 - acc: 0.9917\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0188 - acc: 0.9913\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0188 - acc: 0.9906\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0187 - acc: 0.9912\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0188 - acc: 0.9908\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0187 - acc: 0.9905\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0187 - acc: 0.9910\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0186 - acc: 0.9909\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0196 - acc: 0.9910\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0204 - acc: 0.9912\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0262 - acc: 0.9892\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0362 - acc: 0.9869\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0342 - acc: 0.9876\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0354 - acc: 0.9878\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0304 - acc: 0.9894\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0217 - acc: 0.9904\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0206 - acc: 0.9902\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0210 - acc: 0.9913\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0220 - acc: 0.9897\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0211 - acc: 0.9904\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0193 - acc: 0.9916\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0190 - acc: 0.9913\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0188 - acc: 0.9901\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0189 - acc: 0.9908\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0188 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0187 - acc: 0.9909\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0185 - acc: 0.9916\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0186 - acc: 0.9910\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0186 - acc: 0.9914\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0185 - acc: 0.9908\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0186 - acc: 0.9918\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0184 - acc: 0.9913\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0184 - acc: 0.9914\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0185 - acc: 0.9909\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0184 - acc: 0.9922\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0184 - acc: 0.9904\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0186 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0184 - acc: 0.9916\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0183 - acc: 0.9908\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0135 - acc: 0.9917\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9913\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0132 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0129 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9909\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9908\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0130 - acc: 0.9916\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0129 - acc: 0.9921\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0130 - acc: 0.9906\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 76us/step - loss: 0.0129 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9914\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9918\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9913\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9917\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9912\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9910\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9920\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9914\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0129 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0189 - acc: 0.9904\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0465 - acc: 0.9836\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0313 - acc: 0.9877\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0181 - acc: 0.9893\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0180 - acc: 0.9900\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0143 - acc: 0.9916\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0136 - acc: 0.9908\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0133 - acc: 0.9906\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9921\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0131 - acc: 0.9910\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0129 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0126 - acc: 0.9920\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9916\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0128 - acc: 0.9913\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9918\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0125 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9922\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9917\n",
+      "   0.8994032790684201\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9918\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9913\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9917\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9912\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9925\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9933\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9916\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9912\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9924\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9912\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9913\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9917\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9926\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9925\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9917\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9928\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9914\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9925\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9920\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9912\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9926\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9918\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9906\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9905\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0127 - acc: 0.9910\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9906\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9916\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9909\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9913\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0127 - acc: 0.9914\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0126 - acc: 0.9910\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9912\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9908\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9910\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9910\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9906\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0129 - acc: 0.9910\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0125 - acc: 0.9901\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9912\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9913\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9912\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9925\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9908\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9913\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9914\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9924\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9916\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9908\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9913\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9917\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0129 - acc: 0.9914\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9921\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9922\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9916\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0128 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9909\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9910\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9914\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9906\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9922\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9914\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9909\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0125 - acc: 0.9924\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9922\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9916\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0126 - acc: 0.9917\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9918\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 71us/step - loss: 0.0122 - acc: 0.9926\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0122 - acc: 0.9913\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9922\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9917\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9926\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9920\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9921\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 38/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9909\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0124 - acc: 0.9921\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9917\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9914\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9922\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9921\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9920\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9921\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9913\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9924\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0123 - acc: 0.9922\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9920\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9918\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9932\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9924\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9925\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9925\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9913\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9922\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9910\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9926\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9922\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9928\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9921\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9921\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9914\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9924\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9925\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0125 - acc: 0.9917\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0149 - acc: 0.9913\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0153 - acc: 0.9916\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0150 - acc: 0.9917\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0148 - acc: 0.9912\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0145 - acc: 0.9908\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0146 - acc: 0.9914\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0147 - acc: 0.9916\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0145 - acc: 0.9918\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0146 - acc: 0.9918\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 1s 75us/step - loss: 0.0145 - acc: 0.9914\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0144 - acc: 0.9909\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0143 - acc: 0.9916\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0143 - acc: 0.9910\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0143 - acc: 0.9916\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0143 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0143 - acc: 0.9916\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0142 - acc: 0.9916\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0142 - acc: 0.9913\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0143 - acc: 0.9910\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0141 - acc: 0.9914\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 1s 79us/step - loss: 0.0141 - acc: 0.9905\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0142 - acc: 0.9912\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0141 - acc: 0.9916\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0142 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 1s 72us/step - loss: 0.0141 - acc: 0.9922\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0142 - acc: 0.9926\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0143 - acc: 0.9918\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0141 - acc: 0.9914\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0141 - acc: 0.9912\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9917\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0141 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9913\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9917\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0141 - acc: 0.9910\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9918\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9916\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0138 - acc: 0.9904\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9910\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0138 - acc: 0.9921\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9920\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9914\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9913\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0139 - acc: 0.9920\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9920\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0138 - acc: 0.9916\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 1s 74us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9906\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 1s 73us/step - loss: 0.0138 - acc: 0.9924\n",
+      "   0.9099965239557384\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9920\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9909\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9914\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9909\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9920\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0117 - acc: 0.9912\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9929\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0123 - acc: 0.9922\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9924\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9925\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9926\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0121 - acc: 0.9916\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0115 - acc: 0.9921\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0112 - acc: 0.9918\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9918\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0113 - acc: 0.9926\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9928\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9918\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0110 - acc: 0.9932\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0111 - acc: 0.9916\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9918\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0345 - acc: 0.9881\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0543 - acc: 0.9805\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0416 - acc: 0.9838\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0332 - acc: 0.9876\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0269 - acc: 0.9900\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0214 - acc: 0.9916\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0141 - acc: 0.9918\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0141 - acc: 0.9920\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0140 - acc: 0.9917\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0139 - acc: 0.9916\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0138 - acc: 0.9913\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0138 - acc: 0.9909\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0140 - acc: 0.9908\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0140 - acc: 0.9916\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0140 - acc: 0.9909\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0139 - acc: 0.9908\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0140 - acc: 0.9917\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0139 - acc: 0.9921\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0138 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9921\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0140 - acc: 0.9912\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9916\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9910\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9924\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0135 - acc: 0.9914\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0137 - acc: 0.9912\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0135 - acc: 0.9916\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0134 - acc: 0.9917\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0136 - acc: 0.9914\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0135 - acc: 0.9924\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0137 - acc: 0.9914\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0133 - acc: 0.9912\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0134 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9917\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9916\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0134 - acc: 0.9916\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0134 - acc: 0.9925\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0133 - acc: 0.9932\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0133 - acc: 0.9913\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9924\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9913\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9909\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9920\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0132 - acc: 0.9928\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9917\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9929\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9929\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9928\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0131 - acc: 0.9920\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0132 - acc: 0.9921\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0130 - acc: 0.9922\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9921\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9912\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9926\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0120 - acc: 0.9916\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9922\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9929\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9918\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0129 - acc: 0.9918\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0131 - acc: 0.9914\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0137 - acc: 0.9909\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0424 - acc: 0.9858\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0332 - acc: 0.9864\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0246 - acc: 0.9888\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0184 - acc: 0.9901\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0144 - acc: 0.9908\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0145 - acc: 0.9918\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0120 - acc: 0.9928\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9917\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0121 - acc: 0.9920\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9921\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9918\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9917\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9926\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9934\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0123 - acc: 0.9917\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 1s 71us/step - loss: 0.0124 - acc: 0.9920\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9924\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9921\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9926\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9921\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9920\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9932\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9928\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9921\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9921\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9928\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0122 - acc: 0.9912\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9916\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0119 - acc: 0.9920\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9916\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0122 - acc: 0.9916\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0118 - acc: 0.9917\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0115 - acc: 0.9912\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0127 - acc: 0.9921\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9918\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9916\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9920\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9917\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0114 - acc: 0.9932\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9921\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9910\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9921\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9925\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9917\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9924\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9921\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0117 - acc: 0.9921\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9924\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9917\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9922\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9924\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9925\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9926\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0109 - acc: 0.9920\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9922\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9909\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9924\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0108 - acc: 0.9917\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0107 - acc: 0.9922\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0108 - acc: 0.9928\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0117 - acc: 0.9912\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0118 - acc: 0.9922\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9925\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0115 - acc: 0.9924\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9929\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9922\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 1s 74us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9917\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9916\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9921\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9925\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9926\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9918\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0112 - acc: 0.9921\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9924\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0114 - acc: 0.9913\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0112 - acc: 0.9920\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0113 - acc: 0.9922\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9930\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9922\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 1s 74us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9913\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9925\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9930\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9924\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9918\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9920\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9926\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9921\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9917\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0109 - acc: 0.9918\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0116 - acc: 0.9924\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9926\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9920\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 1s 75us/step - loss: 0.0110 - acc: 0.9916\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0111 - acc: 0.9918\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 1s 72us/step - loss: 0.0110 - acc: 0.9917\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9922\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 1s 73us/step - loss: 0.0110 - acc: 0.9918\n",
+      "   0.9073547090696851\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([1.31914479e-08, 2.52192222e-05, 9.99993205e-01, ...,\n",
+       "       1.42529135e-08, 1.00000000e+00, 1.18783440e-07])"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    for mod in range(5):\n",
+    "        print('>>')\n",
+    "        curr_try = 0\n",
+    "        while curr_try <10:\n",
+    "            print('.')\n",
+    "\n",
+    "            model = Sequential()\n",
+    "            model.add(Dense(64, input_dim=X.shape[1], activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(64, activation='relu'))\n",
+    "            model.add(Dense(1, activation='sigmoid'))\n",
+    "            # Compile model\n",
+    "            opt = keras.optimizers.Adam(epsilon=None, amsgrad=True)\n",
+    "            model.compile(loss='binary_crossentropy', optimizer=opt, metrics=['accuracy'])\n",
+    "            \n",
+    "            # Fit the model\n",
+    "            history = model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=0)\n",
+    "            if history.history['acc'][-1] > 0.53:\n",
+    "                break\n",
+    "            else:\n",
+    "                curr_try += 1\n",
+    "\n",
+    "        # Fit the model\n",
+    "        model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=1)\n",
+    "        \n",
+    "        # evaluate the model\n",
+    "        probas_ = model.predict(X[test,:])\n",
+    "        prbs.append(probas_)\n",
+    "    # Average the predictions\n",
+    "    probas_ = np.mean(np.hstack(prbs), axis=1)\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.nn.v4_ext.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "iVBORw0KGgoAAAANSUhEUgAAAYAAAAD8CAYAAAB+UHOxAAAABHNCSVQICAgIfAhkiAAAAAlwSFlzAAALEgAACxIB0t1+/AAAADl0RVh0U29mdHdhcmUAbWF0cGxvdGxpYiB2ZXJzaW9uIDMuMC4yLCBodHRwOi8vbWF0cGxvdGxpYi5vcmcvOIA7rQAAEihJREFUeJzt3X+MZeV93/H3x2CctnYDzi4WXbZZmqwr40jBaIWpLLWbkMCaP7yOZKpFir2xaDdKIUpaqxJO/2BrFyn94SBZckjXYuV1lBiTX2UVbUO3BOSmKpghJpiFIiaYwmQROwmYpEKhBX/7x3223F3mx5mZO3cYnvdLGt1zvuc55zzP3DvzmfPj3klVIUnqzzs2ugOSpI1hAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6de5Gd2ApW7ZsqR07dmx0NyRpU3n44Yf/vKq2LtfuLR0AO3bsYGZmZqO7IUmbSpL/NaSdp4AkqVMGgCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTb+l3Aq/ZwYMLT0uSPAKQpF4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTywZAku9L8s0kf5LkRJJ/3eqXJHkwyVNJvp7kvFZ/V5ufbct3jG3rs63+ZJJr1mtQkqTlDTkCeBX48ar6UeAyYE+SK4F/C9xWVTuBl4AbWvsbgJeq6oeB21o7klwK7AM+COwBfjXJOZMcjCRpuGUDoEb+d5t9Z/sq4MeB3271I8DH2/TeNk9bflWStPqdVfVqVX0HmAWumMgoJEkrNugaQJJzkjwCnAKOA38KfLeqXmtN5oBtbXob8BxAW/4y8APj9QXWGd/XgSQzSWbm5+dXPiJJ0iCDAqCqXq+qy4CLGf3V/oGFmrXHLLJssfrZ+zpUVbuqatfWrVuHdE+StAoruguoqr4L3A9cCZyf5PSHyV0MnGzTc8B2gLb8+4EXx+sLrCNJmrIhdwFtTXJ+m/4bwE8ATwD3AZ9ozfYDd7fpo22etvwPq6pafV+7S+gSYCfwzUkNRJK0MkM+Dvoi4Ei7Y+cdwF1V9ftJHgfuTPJvgG8Bd7T2dwC/nmSW0V/++wCq6kSSu4DHgdeAG6vq9ckOR5I01LIBUFWPAh9aoP40C9zFU1V/DVy3yLZuBW5deTclSZP29v6HMJK0iUz7f1j5URCS1CkDQJI6ZQBIUqcMAEnqlAEgSZ0yACSpUwaAJHXKAJCkThkAktQpA0CSOmUASFKnDABJ6pQBIEmdMgAkqVMGgCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTywZAku1J7kvyRJITSX6h1Q8m+bMkj7Sva8fW+WyS2SRPJrlmrL6n1WaT3Lw+Q5IkDXHugDavAZ+pqj9O8h7g4STH27Lbquo/jDdOcimwD/gg8HeA/5rk/W3xl4CfBOaAh5IcrarHJzEQSdLKLBsAVfU88Hyb/qskTwDbllhlL3BnVb0KfCfJLHBFWzZbVU8DJLmztTUAJGkDrOgaQJIdwIeAB1vppiSPJjmc5IJW2wY8N7baXKstVpckbYDBAZDk3cDvAL9YVX8J3A78EHAZoyOEL5xuusDqtUT97P0cSDKTZGZ+fn5o9yRJKzQoAJK8k9Ev/9+oqt8FqKoXqur1qvoe8GXeOM0zB2wfW/1i4OQS9TNU1aGq2lVVu7Zu3brS8UiSBhpyF1CAO4AnqupXxuoXjTX7KeCxNn0U2JfkXUkuAXYC3wQeAnYmuSTJeYwuFB+dzDAkSSs15C6gjwCfBL6d5JFW+yXg+iSXMTqN8wzwswBVdSLJXYwu7r4G3FhVrwMkuQm4BzgHOFxVJyY4FknSCgy5C+iPWPj8/bEl1rkVuHWB+rGl1pMkTY/vBJakThkAktQpA0CSOmUASFKnDABJ6pQBIEmdMgAkqVMGgCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnqlAEgSZ0yACSpUwaAJHVq2QBIsj3JfUmeSHIiyS+0+nuTHE/yVHu8oNWT5ItJZpM8muTysW3tb+2fSrJ//YYlSVrOkCOA14DPVNUHgCuBG5NcCtwM3FtVO4F72zzAR4Gd7esAcDuMAgO4BfgwcAVwy+nQkCRN37IBUFXPV9Uft+m/Ap4AtgF7gSOt2RHg4216L/DVGnkAOD/JRcA1wPGqerGqXgKOA3smOhpJ0mArugaQZAfwIeBB4H1V9TyMQgK4sDXbBjw3ttpcqy1WlyRtgMEBkOTdwO8Av1hVf7lU0wVqtUT97P0cSDKTZGZ+fn5o9yRJKzQoAJK8k9Ev/9+oqt9t5RfaqR3a46lWnwO2j61+MXByifoZqupQVe2qql1bt25dyVgkSSsw5C6gAHcAT1TVr4wtOgqcvpNnP3D3WP1T7W6gK4GX2ymie4Crk1zQLv5e3WqSpA1w7oA2HwE+CXw7ySOt9kvALwN3JbkBeBa4ri07BlwLzAKvAJ8GqKoXk3weeKi1+1xVvTiRUUiSVmzZAKiqP2Lh8/cAVy3QvoAbF9nWYeDwSjooSVofvhNYkjplAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnqlAEgSZ0yACSpUwaAJHXKAJCkThkAktQpA0CSOmUASFKnDABJ6pQBIEmdMgAkqVMGgCR1ygCQpE4tGwBJDic5leSxsdrBJH+W5JH2de3Yss8mmU3yZJJrxup7Wm02yc2TH4okaSWGHAF8BdizQP22qrqsfR0DSHIpsA/4YFvnV5Ock+Qc4EvAR4FLgetbW0nSBjl3uQZV9Y0kOwZuby9wZ1W9CnwnySxwRVs2W1VPAyS5s7V9fMU9liRNxFquAdyU5NF2iuiCVtsGPDfWZq7VFqtLkjbIagPgduCHgMuA54EvtHoWaFtL1N8kyYEkM0lm5ufnV9k9SdJyVhUAVfVCVb1eVd8Dvswbp3nmgO1jTS8GTi5RX2jbh6pqV1Xt2rp162q6J0kaYFUBkOSisdmfAk7fIXQU2JfkXUkuAXYC3wQeAnYmuSTJeYwuFB9dfbclSWu17EXgJF8DdgNbkswBtwC7k1zG6DTOM8DPAlTViSR3Mbq4+xpwY1W93rZzE3APcA5wuKpOTHw0kqTBhtwFdP0C5TuWaH8rcOsC9WPAsRX1TpK0bnwnsCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnqlAEgSZ0yACSpUwaAJHXKAJCkThkAktQpA0CSOmUASFKnDABJ6pQBIEmdMgAkqVPLBkCSw0lOJXlsrPbeJMeTPNUeL2j1JPliktkkjya5fGyd/a39U0n2r89wJElDDTkC+Aqw56zazcC9VbUTuLfNA3wU2Nm+DgC3wygwgFuADwNXALecDg1J0sZYNgCq6hvAi2eV9wJH2vQR4ONj9a/WyAPA+UkuAq4BjlfVi1X1EnCcN4eKJGmKVnsN4H1V9TxAe7yw1bcBz421m2u1xeqSpA0y6YvAWaBWS9TfvIHkQJKZJDPz8/MT7Zwk6Q2rDYAX2qkd2uOpVp8Dto+1uxg4uUT9TarqUFXtqqpdW7duXWX3JEnLWW0AHAVO38mzH7h7rP6pdjfQlcDL7RTRPcDVSS5oF3+vbjVJ0gY5d7kGSb4G7Aa2JJljdDfPLwN3JbkBeBa4rjU/BlwLzAKvAJ8GqKoXk3weeKi1+1xVnX1hWZI0RcsGQFVdv8iiqxZoW8CNi2znMHB4Rb2TJK0b3wksSZ0yACSpUwaAJHXKAJCkThkAktQpA0CSOmUASFKnDABJ6pQBIEmdMgAkqVMGgCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnq1JoCIMkzSb6d5JEkM6323iTHkzzVHi9o9ST5YpLZJI8muXwSA5Akrc4kjgB+rKouq6pdbf5m4N6q2gnc2+YBPgrsbF8HgNsnsG9J0iqtxymgvcCRNn0E+PhY/as18gBwfpKL1mH/kqQB1hoABfyXJA8nOdBq76uq5wHa44Wtvg14bmzduVY7Q5IDSWaSzMzPz6+xe5KkxZy7xvU/UlUnk1wIHE/yP5domwVq9aZC1SHgEMCuXbvetFySNBlrOgKoqpPt8RTwe8AVwAunT+20x1Ot+RywfWz1i4GTa9m/JGn1Vh0ASf5WkvecngauBh4DjgL7W7P9wN1t+ijwqXY30JXAy6dPFUmSpm8tp4DeB/xektPb+c2q+oMkDwF3JbkBeBa4rrU/BlwLzAKvAJ9ew74lSWu06gCoqqeBH12g/hfAVQvUC7hxtftbjYP3735jepo7lqRNwHcCS1KnDABJ6pQBIEmdMgAkqVMGgCR1aq3vBJYkTcr994/N7F733XkEIEmdMgAkqVMGgCR1ygCQpE4ZAJLUKQNAkjplAEhSpwwASeqUASBJnTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnqlAEgSZ2aegAk2ZPkySSzSW6e9v4lSSNT/ZeQSc4BvgT8JDAHPJTkaFU9vu47P3hw4WlJ2kAb+eto2v8T+ApgtqqeBkhyJ7AXWP8AeLta6tVj0GkTW+zl+3Z4Wb9VxjDtANgGPDc2Pwd8eBo7Pnj/7jdmdt+/cJtF6oO2OWQ7Q571sTaLbf9MS7RZbJzj211sf7vfmD7IG22G/FSOt1/swGuxbZ6x+bF/kD3+PR32feGMMZyxrUXGv5gz+nrGP+0eazP+vV5sPCzYZNFGg8a5yBiHrnPGczXgeVvs+zhknCv9+VrMwd3j02P9GX+ehmzn7PYDXodnWM33fhLrTlCqano7S64Drqmqf9LmPwlcUVU/P9bmAHCgzf594Mk17HIL8OdrWH8z6m3MvY0XHHMv1jLmH6yqrcs1mvYRwBywfWz+YuDkeIOqOgQcmsTOksxU1a5JbGuz6G3MvY0XHHMvpjHmad8F9BCwM8klSc4D9gFHp9wHSRJTPgKoqteS3ATcA5wDHK6qE9PsgyRpZNqngKiqY8CxKe1uIqeSNpnextzbeMEx92LdxzzVi8CSpLcOPwpCkjq16QNguY+WSPKuJF9vyx9MsmP6vZysAWP+F0keT/JoknuT/OBG9HOShn6ESJJPJKkkm/6OkSFjTvKP23N9IslvTruPkzbgtf13k9yX5Fvt9X3tRvRzUpIcTnIqyWOLLE+SL7bvx6NJLp9oB6pq034xupD8p8DfA84D/gS49Kw2/wz4tTa9D/j6Rvd7CmP+MeBvtumf62HMrd17gG8ADwC7NrrfU3iedwLfAi5o8xdudL+nMOZDwM+16UuBZza632sc8z8ELgceW2T5tcB/BgJcCTw4yf1v9iOA///RElX1f4DTHy0xbi9wpE3/NnBVkkyxj5O27Jir6r6qeqXNPsDo/Rab2ZDnGeDzwL8D/nqanVsnQ8b8T4EvVdVLAFV1asp9nLQhYy7gb7fp7+es9xFtNlX1DeDFJZrsBb5aIw8A5ye5aFL73+wBsNBHS2xbrE1VvQa8DPzAVHq3PoaMedwNjP6C2MyWHXOSDwHbq+r3p9mxdTTkeX4/8P4k/z3JA0n2TK1362PImA8CP51kjtHdhD/P29tKf95XZOq3gU7YQn/Jn31b05A2m8ng8ST5aWAX8I/WtUfrb8kxJ3kHcBvwM9Pq0BQMeZ7PZXQaaDejo7z/luRHquq769y39TJkzNcDX6mqLyT5B8CvtzF/b/27tyHW9ffXZj8CWPajJcbbJDmX0WHjUodcb3VDxkySnwD+FfCxqnp1Sn1bL8uN+T3AjwD3J3mG0bnSo5v8QvDQ1/bdVfV/q+o7jD43a+eU+rcehoz5BuAugKr6H8D3MfrMnLerQT/vq7XZA2DIR0scBfa36U8Af1jt6somteyY2+mQ/8jol/9mPy8My4y5ql6uqi1VtaOqdjC67vGxqprZmO5OxJDX9n9idMGfJFsYnRJ6eqq9nKwhY34WuAogyQcYBcD8VHs5XUeBT7W7ga4EXq6q5ye18U19CqgW+WiJJJ8DZqrqKHAHo8PEWUZ/+e/buB6v3cAx/3vg3cBvtevdz1bVxzas02s0cMxvKwPHfA9wdZLHgdeBf1lVf7FxvV6bgWP+DPDlJP+c0amQn9nMf9Al+RqjU3hb2nWNW4B3AlTVrzG6znEtMAu8Anx6ovvfxN87SdIabPZTQJKkVTIAJKlTBoAkdcoAkKROGQCS1CkDQJI6ZQBIUqcMAEnq1P8D81c+diZz8iAAAAAASUVORK5CYII=\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[<matplotlib.lines.Line2D at 0x7fb2b11d67f0>]"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "results[test] = probas_\n",
+    "plt.plot(results)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2395 - acc: 0.9192\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2380 - acc: 0.9207\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2366 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2352 - acc: 0.9215\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2340 - acc: 0.9212\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2326 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2314 - acc: 0.9230\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2301 - acc: 0.9230\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2289 - acc: 0.9239\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2277 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2265 - acc: 0.9252\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2254 - acc: 0.9244\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2243 - acc: 0.9246\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2233 - acc: 0.9252\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2221 - acc: 0.9260\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2210 - acc: 0.9258\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2201 - acc: 0.9260\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2191 - acc: 0.9267\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2181 - acc: 0.9274\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2171 - acc: 0.9279\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2162 - acc: 0.9278\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2153 - acc: 0.9279\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9282\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9281\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2126 - acc: 0.9291\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2117 - acc: 0.9298\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2109 - acc: 0.9298\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2100 - acc: 0.9294\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9302\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2084 - acc: 0.9305\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2076 - acc: 0.9305\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2068 - acc: 0.9306\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2061 - acc: 0.9303\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2054 - acc: 0.9307\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9310\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9313\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2031 - acc: 0.9314\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9310\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2018 - acc: 0.9322\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2011 - acc: 0.9319\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2004 - acc: 0.9315\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1998 - acc: 0.9323\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1991 - acc: 0.9327\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9323\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1979 - acc: 0.9329\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9331\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9335\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9334\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1954 - acc: 0.9343\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9341\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2394 - acc: 0.9195\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2379 - acc: 0.9198\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2365 - acc: 0.9210\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2352 - acc: 0.9207\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2338 - acc: 0.9211\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2325 - acc: 0.9216\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2313 - acc: 0.9218\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2300 - acc: 0.9232\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2288 - acc: 0.9224\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2276 - acc: 0.9246\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2265 - acc: 0.9244\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2253 - acc: 0.9250\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2242 - acc: 0.9244\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2232 - acc: 0.9254\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2221 - acc: 0.9262\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2211 - acc: 0.9260\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2200 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2190 - acc: 0.9267\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2180 - acc: 0.9269\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2170 - acc: 0.9267\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2162 - acc: 0.9279\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2152 - acc: 0.9281\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2143 - acc: 0.9279\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9285\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2125 - acc: 0.9290\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2117 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2108 - acc: 0.9286\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2100 - acc: 0.9295\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2092 - acc: 0.9298\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2084 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9297\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2068 - acc: 0.9299\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9303\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2053 - acc: 0.9309\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2045 - acc: 0.9313\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2038 - acc: 0.9313\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2031 - acc: 0.9311\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2024 - acc: 0.9315\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9317\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2011 - acc: 0.9319\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2003 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9325\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1990 - acc: 0.9323\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1984 - acc: 0.9326\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1978 - acc: 0.9330\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1972 - acc: 0.9323\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1965 - acc: 0.9339\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9338\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1954 - acc: 0.9335\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9346\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2395 - acc: 0.9198\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2381 - acc: 0.9203\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2366 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2353 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2339 - acc: 0.9220\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2326 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2314 - acc: 0.9226\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2301 - acc: 0.9227\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2289 - acc: 0.9231\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2277 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2265 - acc: 0.9242\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2254 - acc: 0.9246\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2243 - acc: 0.9251\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2233 - acc: 0.9256\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2222 - acc: 0.9262\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2211 - acc: 0.9259\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2201 - acc: 0.9266\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2191 - acc: 0.9269\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2181 - acc: 0.9275\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2171 - acc: 0.9279\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2162 - acc: 0.9278\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9283\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2144 - acc: 0.9282\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2135 - acc: 0.9286\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2126 - acc: 0.9298\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2117 - acc: 0.9295\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2109 - acc: 0.9294\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2101 - acc: 0.9297\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2092 - acc: 0.9299\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2084 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9302\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2068 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9307\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2054 - acc: 0.9306\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9309\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9313\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2032 - acc: 0.9309\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9311\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2018 - acc: 0.9319\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2011 - acc: 0.9318\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2004 - acc: 0.9322\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1998 - acc: 0.9321\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1991 - acc: 0.9323\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9326\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1978 - acc: 0.9327\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9337\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9339\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9333\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1954 - acc: 0.9335\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9345\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2394 - acc: 0.9195\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2379 - acc: 0.9194\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2365 - acc: 0.9198\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2352 - acc: 0.9211\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2338 - acc: 0.9211\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2325 - acc: 0.9220\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2313 - acc: 0.9228\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2301 - acc: 0.9223\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2289 - acc: 0.9236\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2276 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2264 - acc: 0.9247\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2253 - acc: 0.9250\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2242 - acc: 0.9255\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2231 - acc: 0.9258\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2221 - acc: 0.9254\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2210 - acc: 0.9265\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2200 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2190 - acc: 0.9269\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2180 - acc: 0.9270\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2170 - acc: 0.9273\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9283\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9281\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9290\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2133 - acc: 0.9286\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2125 - acc: 0.9293\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2117 - acc: 0.9290\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2108 - acc: 0.9289\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2099 - acc: 0.9294\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9297\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2083 - acc: 0.9297\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2076 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9302\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2053 - acc: 0.9307\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9305\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2038 - acc: 0.9311\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2031 - acc: 0.9315\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9310\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9317\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2010 - acc: 0.9318\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9326\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1997 - acc: 0.9321\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1990 - acc: 0.9323\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1984 - acc: 0.9333\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1978 - acc: 0.9330\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1971 - acc: 0.9330\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1965 - acc: 0.9338\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9339\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1953 - acc: 0.9339\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1947 - acc: 0.9338\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2395 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2380 - acc: 0.9198\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2367 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2352 - acc: 0.9218\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2338 - acc: 0.9215\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2326 - acc: 0.9224\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2313 - acc: 0.9227\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2301 - acc: 0.9230\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2288 - acc: 0.9235\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2277 - acc: 0.9234\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2265 - acc: 0.9238\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2254 - acc: 0.9240\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2243 - acc: 0.9260\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2232 - acc: 0.9255\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2221 - acc: 0.9258\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2211 - acc: 0.9270\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2201 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2190 - acc: 0.9271\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2181 - acc: 0.9267\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2171 - acc: 0.9279\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2161 - acc: 0.9283\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2153 - acc: 0.9287\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9281\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2134 - acc: 0.9282\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2126 - acc: 0.9285\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2117 - acc: 0.9291\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2109 - acc: 0.9293\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2100 - acc: 0.9293\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9298\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2084 - acc: 0.9295\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2068 - acc: 0.9313\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2061 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2054 - acc: 0.9317\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9309\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9317\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2032 - acc: 0.9311\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2025 - acc: 0.9315\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9315\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2011 - acc: 0.9318\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9329\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1991 - acc: 0.9330\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9331\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9329\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1972 - acc: 0.9343\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9338\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9343\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1954 - acc: 0.9341\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9339\n",
+      "   0.9100742766428347\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2379 - acc: 0.9192\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2365 - acc: 0.9191\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2351 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2337 - acc: 0.9203\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2324 - acc: 0.9220\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2311 - acc: 0.9216\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2298 - acc: 0.9220\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2286 - acc: 0.9234\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2274 - acc: 0.9236\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2261 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2250 - acc: 0.9250\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2238 - acc: 0.9254\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2228 - acc: 0.9263\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2216 - acc: 0.9263\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2206 - acc: 0.9266\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2195 - acc: 0.9275\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2185 - acc: 0.9271\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2176 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2166 - acc: 0.9274\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2156 - acc: 0.9289\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2147 - acc: 0.9285\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2137 - acc: 0.9293\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2128 - acc: 0.9285\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2120 - acc: 0.9294\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2111 - acc: 0.9293\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2102 - acc: 0.9294\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2094 - acc: 0.9299\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2085 - acc: 0.9295\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2077 - acc: 0.9299\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2069 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9306\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2054 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2046 - acc: 0.9302\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2039 - acc: 0.9310\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2032 - acc: 0.9306\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9306\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9315\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2010 - acc: 0.9315\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2003 - acc: 0.9314\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9321\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1990 - acc: 0.9325\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1983 - acc: 0.9326\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9329\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1970 - acc: 0.9329\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1964 - acc: 0.9331\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1957 - acc: 0.9334\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9334\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9338\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1939 - acc: 0.9338\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1933 - acc: 0.9341\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2379 - acc: 0.9195\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2365 - acc: 0.9196\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2351 - acc: 0.9196\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2337 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2324 - acc: 0.9210\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2311 - acc: 0.9215\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2298 - acc: 0.9231\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2286 - acc: 0.9222\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2273 - acc: 0.9232\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2262 - acc: 0.9236\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2250 - acc: 0.9247\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2238 - acc: 0.9250\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2228 - acc: 0.9255\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2217 - acc: 0.9260\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2206 - acc: 0.9266\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2196 - acc: 0.9271\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2186 - acc: 0.9266\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2175 - acc: 0.9270\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2166 - acc: 0.9270\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2156 - acc: 0.9279\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2146 - acc: 0.9283\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2138 - acc: 0.9286\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2129 - acc: 0.9291\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2120 - acc: 0.9290\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2111 - acc: 0.9290\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2102 - acc: 0.9290\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2094 - acc: 0.9298\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2085 - acc: 0.9301\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2077 - acc: 0.9299\n",
+      "Epoch 30/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2054 - acc: 0.9303\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9303\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2032 - acc: 0.9309\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9306\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2017 - acc: 0.9313\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9325\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2003 - acc: 0.9318\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1996 - acc: 0.9319\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1990 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1983 - acc: 0.9326\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1976 - acc: 0.9330\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1970 - acc: 0.9327\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1964 - acc: 0.9327\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1958 - acc: 0.9334\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9335\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1945 - acc: 0.9334\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9343\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1933 - acc: 0.9343\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2379 - acc: 0.9187\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2365 - acc: 0.9190\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2351 - acc: 0.9204\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2337 - acc: 0.9207\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2324 - acc: 0.9208\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2311 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2298 - acc: 0.9226\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2286 - acc: 0.9231\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2273 - acc: 0.9246\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2262 - acc: 0.9251\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2250 - acc: 0.9251\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2239 - acc: 0.9255\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2228 - acc: 0.9255\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2217 - acc: 0.9256\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2206 - acc: 0.9262\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2196 - acc: 0.9277\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2186 - acc: 0.9274\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2176 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2166 - acc: 0.9277\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2157 - acc: 0.9278\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2147 - acc: 0.9287\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2138 - acc: 0.9278\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2128 - acc: 0.9297\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2120 - acc: 0.9295\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2111 - acc: 0.9293\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2102 - acc: 0.9298\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2094 - acc: 0.9297\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2086 - acc: 0.9299\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2077 - acc: 0.9301\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9297\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9305\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2053 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2046 - acc: 0.9307\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9311\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2032 - acc: 0.9311\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2024 - acc: 0.9317\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2017 - acc: 0.9314\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9319\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2003 - acc: 0.9322\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9327\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1989 - acc: 0.9330\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1983 - acc: 0.9326\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9334\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1970 - acc: 0.9334\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1964 - acc: 0.9335\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9334\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9334\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1945 - acc: 0.9334\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9337\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1934 - acc: 0.9345\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2379 - acc: 0.9191\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2365 - acc: 0.9204\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2351 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2337 - acc: 0.9204\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2324 - acc: 0.9216\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2311 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2298 - acc: 0.9228\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2286 - acc: 0.9226\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2274 - acc: 0.9240\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2262 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2250 - acc: 0.9250\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2239 - acc: 0.9255\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2228 - acc: 0.9252\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2217 - acc: 0.9263\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2206 - acc: 0.9260\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2196 - acc: 0.9270\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2186 - acc: 0.9273\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2176 - acc: 0.9278\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2166 - acc: 0.9285\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2156 - acc: 0.9282\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2147 - acc: 0.9293\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2137 - acc: 0.9291\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2129 - acc: 0.9286\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2119 - acc: 0.9295\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2111 - acc: 0.9299\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2103 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2094 - acc: 0.9302\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2086 - acc: 0.9294\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2078 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9301\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9299\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2054 - acc: 0.9307\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2046 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9309\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2031 - acc: 0.9307\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9309\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2017 - acc: 0.9311\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9318\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9318\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1996 - acc: 0.9319\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1990 - acc: 0.9319\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1983 - acc: 0.9323\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1977 - acc: 0.9327\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1970 - acc: 0.9331\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1964 - acc: 0.9329\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1958 - acc: 0.9335\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1952 - acc: 0.9337\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1946 - acc: 0.9335\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9341\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1934 - acc: 0.9338\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2379 - acc: 0.9190\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2365 - acc: 0.9196\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2351 - acc: 0.9196\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2337 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2323 - acc: 0.9216\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2311 - acc: 0.9216\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2298 - acc: 0.9222\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2286 - acc: 0.9226\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2273 - acc: 0.9239\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2262 - acc: 0.9246\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2250 - acc: 0.9243\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2239 - acc: 0.9252\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2227 - acc: 0.9260\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2218 - acc: 0.9256\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2206 - acc: 0.9263\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2196 - acc: 0.9263\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2186 - acc: 0.9273\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2176 - acc: 0.9277\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2165 - acc: 0.9281\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2156 - acc: 0.9283\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2146 - acc: 0.9281\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2137 - acc: 0.9285\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2129 - acc: 0.9290\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2120 - acc: 0.9295\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2111 - acc: 0.9294\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2102 - acc: 0.9298\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2093 - acc: 0.9293\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2086 - acc: 0.9295\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2077 - acc: 0.9302\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2069 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2062 - acc: 0.9302\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2054 - acc: 0.9306\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2046 - acc: 0.9305\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2039 - acc: 0.9310\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2032 - acc: 0.9311\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2024 - acc: 0.9315\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9311\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2010 - acc: 0.9322\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2003 - acc: 0.9321\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9325\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1989 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1982 - acc: 0.9331\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1977 - acc: 0.9329\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1970 - acc: 0.9330\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1964 - acc: 0.9330\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1958 - acc: 0.9334\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9334\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9338\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1939 - acc: 0.9341\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1933 - acc: 0.9341\n",
+      "   0.9069456193003396\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2397 - acc: 0.9203\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2383 - acc: 0.9200\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2368 - acc: 0.9211\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2355 - acc: 0.9224\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2342 - acc: 0.9216\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2328 - acc: 0.9226\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2315 - acc: 0.9234\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2303 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2291 - acc: 0.9243\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2279 - acc: 0.9252\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2267 - acc: 0.9254\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2256 - acc: 0.9259\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2245 - acc: 0.9263\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2234 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2224 - acc: 0.9262\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2213 - acc: 0.9265\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9271\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2192 - acc: 0.9275\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2182 - acc: 0.9275\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2173 - acc: 0.9277\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2163 - acc: 0.9277\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2154 - acc: 0.9278\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2144 - acc: 0.9287\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2136 - acc: 0.9287\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2127 - acc: 0.9287\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2119 - acc: 0.9281\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2110 - acc: 0.9287\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2102 - acc: 0.9293\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2093 - acc: 0.9298\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2086 - acc: 0.9290\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2078 - acc: 0.9287\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2070 - acc: 0.9301\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9303\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2055 - acc: 0.9299\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2047 - acc: 0.9306\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2040 - acc: 0.9305\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2033 - acc: 0.9306\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2026 - acc: 0.9306\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2019 - acc: 0.9309\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2012 - acc: 0.9310\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2005 - acc: 0.9318\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1998 - acc: 0.9315\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9315\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9317\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1979 - acc: 0.9318\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1973 - acc: 0.9322\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1967 - acc: 0.9313\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1961 - acc: 0.9318\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1955 - acc: 0.9318\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1949 - acc: 0.9331\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2398 - acc: 0.9198\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2383 - acc: 0.9202\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2369 - acc: 0.9211\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2356 - acc: 0.9212\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2342 - acc: 0.9220\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2329 - acc: 0.9226\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2316 - acc: 0.9232\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2304 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2291 - acc: 0.9246\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2279 - acc: 0.9246\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2268 - acc: 0.9255\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2257 - acc: 0.9256\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9259\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2235 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2224 - acc: 0.9263\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2214 - acc: 0.9271\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9274\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2193 - acc: 0.9271\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2183 - acc: 0.9273\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2173 - acc: 0.9273\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2164 - acc: 0.9279\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2154 - acc: 0.9282\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2145 - acc: 0.9283\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2137 - acc: 0.9285\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2128 - acc: 0.9287\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2119 - acc: 0.9287\n",
+      "Epoch 27/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2110 - acc: 0.9289\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2103 - acc: 0.9290\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2094 - acc: 0.9289\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2086 - acc: 0.9295\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2078 - acc: 0.9291\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2070 - acc: 0.9294\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2062 - acc: 0.9294\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2055 - acc: 0.9298\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2047 - acc: 0.9302\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9299\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2033 - acc: 0.9298\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2026 - acc: 0.9306\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2019 - acc: 0.9303\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2012 - acc: 0.9306\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2006 - acc: 0.9314\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1999 - acc: 0.9311\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9313\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1986 - acc: 0.9313\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9317\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1973 - acc: 0.9315\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1967 - acc: 0.9317\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1961 - acc: 0.9321\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1955 - acc: 0.9323\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1949 - acc: 0.9329\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2397 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2383 - acc: 0.9207\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2369 - acc: 0.9207\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2355 - acc: 0.9218\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2342 - acc: 0.9219\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2328 - acc: 0.9228\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2316 - acc: 0.9230\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2304 - acc: 0.9236\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2291 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2279 - acc: 0.9252\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2267 - acc: 0.9248\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2256 - acc: 0.9258\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2245 - acc: 0.9256\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2234 - acc: 0.9265\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2223 - acc: 0.9265\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9266\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2192 - acc: 0.9267\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2182 - acc: 0.9267\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2173 - acc: 0.9270\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2163 - acc: 0.9275\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2154 - acc: 0.9275\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2145 - acc: 0.9281\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2136 - acc: 0.9282\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2127 - acc: 0.9287\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2119 - acc: 0.9285\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2110 - acc: 0.9290\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2102 - acc: 0.9286\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2093 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2086 - acc: 0.9297\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2077 - acc: 0.9297\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2070 - acc: 0.9294\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9299\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2054 - acc: 0.9302\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2047 - acc: 0.9302\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9306\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2033 - acc: 0.9302\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2026 - acc: 0.9302\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2019 - acc: 0.9309\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2012 - acc: 0.9310\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2005 - acc: 0.9302\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1998 - acc: 0.9309\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9311\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9311\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9311\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1973 - acc: 0.9314\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1966 - acc: 0.9318\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1961 - acc: 0.9322\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1955 - acc: 0.9318\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1949 - acc: 0.9327\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2398 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2383 - acc: 0.9215\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2369 - acc: 0.9214\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2355 - acc: 0.9220\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2342 - acc: 0.9218\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2329 - acc: 0.9230\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2316 - acc: 0.9239\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2303 - acc: 0.9243\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2291 - acc: 0.9244\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2279 - acc: 0.9259\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2268 - acc: 0.9250\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2256 - acc: 0.9259\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2245 - acc: 0.9256\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2234 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2223 - acc: 0.9267\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2213 - acc: 0.9271\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2202 - acc: 0.9266\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2192 - acc: 0.9275\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2182 - acc: 0.9273\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2173 - acc: 0.9274\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2163 - acc: 0.9279\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2154 - acc: 0.9279\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2144 - acc: 0.9281\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2136 - acc: 0.9275\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2127 - acc: 0.9283\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2118 - acc: 0.9277\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2110 - acc: 0.9290\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2102 - acc: 0.9287\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2094 - acc: 0.9285\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2085 - acc: 0.9297\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2078 - acc: 0.9289\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2070 - acc: 0.9287\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2062 - acc: 0.9295\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2054 - acc: 0.9293\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2047 - acc: 0.9306\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9309\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2033 - acc: 0.9302\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2025 - acc: 0.9307\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9307\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2012 - acc: 0.9309\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2005 - acc: 0.9309\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1999 - acc: 0.9310\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9315\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1985 - acc: 0.9313\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1979 - acc: 0.9311\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1973 - acc: 0.9317\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9323\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9322\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1955 - acc: 0.9323\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1949 - acc: 0.9325\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2398 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2384 - acc: 0.9210\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2369 - acc: 0.9214\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2356 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2342 - acc: 0.9216\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2329 - acc: 0.9223\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2316 - acc: 0.9232\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2304 - acc: 0.9242\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2291 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2280 - acc: 0.9250\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2268 - acc: 0.9256\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2257 - acc: 0.9258\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2246 - acc: 0.9262\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2234 - acc: 0.9260\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2224 - acc: 0.9267\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2213 - acc: 0.9266\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9270\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2193 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2183 - acc: 0.9277\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2173 - acc: 0.9277\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2164 - acc: 0.9278\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2155 - acc: 0.9275\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2145 - acc: 0.9278\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2137 - acc: 0.9282\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2127 - acc: 0.9283\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2119 - acc: 0.9285\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2110 - acc: 0.9290\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2102 - acc: 0.9282\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2094 - acc: 0.9289\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2086 - acc: 0.9289\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2078 - acc: 0.9289\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2070 - acc: 0.9303\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2062 - acc: 0.9291\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2055 - acc: 0.9298\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2048 - acc: 0.9302\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9307\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2033 - acc: 0.9301\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2026 - acc: 0.9303\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2019 - acc: 0.9306\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2012 - acc: 0.9306\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2005 - acc: 0.9313\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1999 - acc: 0.9311\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1993 - acc: 0.9313\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1986 - acc: 0.9311\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1980 - acc: 0.9315\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1973 - acc: 0.9317\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1967 - acc: 0.9319\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1961 - acc: 0.9314\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1955 - acc: 0.9317\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1949 - acc: 0.9321\n",
+      "   0.9160795605974578\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2390 - acc: 0.9164\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2376 - acc: 0.9164\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2362 - acc: 0.9176\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2348 - acc: 0.9179\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2335 - acc: 0.9186\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2322 - acc: 0.9191\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2309 - acc: 0.9199\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2297 - acc: 0.9200\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2285 - acc: 0.9204\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2273 - acc: 0.9215\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2261 - acc: 0.9226\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2250 - acc: 0.9224\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2239 - acc: 0.9219\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2228 - acc: 0.9236\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2218 - acc: 0.9234\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2208 - acc: 0.9243\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2197 - acc: 0.9240\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2187 - acc: 0.9246\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2178 - acc: 0.9252\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2168 - acc: 0.9258\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2158 - acc: 0.9258\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2149 - acc: 0.9260\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2140 - acc: 0.9266\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2131 - acc: 0.9266\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2122 - acc: 0.9271\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2114 - acc: 0.9278\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2106 - acc: 0.9281\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2097 - acc: 0.9279\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2089 - acc: 0.9281\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2081 - acc: 0.9281\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2074 - acc: 0.9291\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2066 - acc: 0.9293\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2058 - acc: 0.9294\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2050 - acc: 0.9302\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2043 - acc: 0.9294\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2036 - acc: 0.9310\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2029 - acc: 0.9305\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2021 - acc: 0.9313\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2015 - acc: 0.9311\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2008 - acc: 0.9315\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2001 - acc: 0.9317\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1995 - acc: 0.9317\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1988 - acc: 0.9325\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1982 - acc: 0.9322\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1975 - acc: 0.9319\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1969 - acc: 0.9321\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1963 - acc: 0.9326\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1957 - acc: 0.9329\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.1951 - acc: 0.9333\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.1946 - acc: 0.9334\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2391 - acc: 0.9166\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2377 - acc: 0.9175\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2363 - acc: 0.9175\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2349 - acc: 0.9178\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2335 - acc: 0.9182\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2323 - acc: 0.9191\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2310 - acc: 0.9186\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2298 - acc: 0.9196\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2285 - acc: 0.9206\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2274 - acc: 0.9208\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2262 - acc: 0.9218\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2250 - acc: 0.9223\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2240 - acc: 0.9223\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2229 - acc: 0.9224\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2219 - acc: 0.9234\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2207 - acc: 0.9240\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2197 - acc: 0.9247\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2187 - acc: 0.9254\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2178 - acc: 0.9252\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2168 - acc: 0.9260\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2159 - acc: 0.9263\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2150 - acc: 0.9266\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2140 - acc: 0.9278\n",
+      "Epoch 24/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2131 - acc: 0.9274\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2123 - acc: 0.9270\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2114 - acc: 0.9277\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2106 - acc: 0.9279\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2098 - acc: 0.9278\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2090 - acc: 0.9285\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2081 - acc: 0.9285\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2073 - acc: 0.9287\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2066 - acc: 0.9293\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2058 - acc: 0.9305\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2051 - acc: 0.9301\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2043 - acc: 0.9297\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2036 - acc: 0.9309\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2029 - acc: 0.9298\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2022 - acc: 0.9311\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2015 - acc: 0.9311\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2008 - acc: 0.9314\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2001 - acc: 0.9318\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.1995 - acc: 0.9317\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.1988 - acc: 0.9318\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1982 - acc: 0.9319\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9325\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1970 - acc: 0.9326\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1963 - acc: 0.9327\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.1957 - acc: 0.9329\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1951 - acc: 0.9327\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1946 - acc: 0.9334\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2389 - acc: 0.9164\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2375 - acc: 0.9166\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2362 - acc: 0.9168\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2347 - acc: 0.9175\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2334 - acc: 0.9182\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2322 - acc: 0.9186\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2309 - acc: 0.9191\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2296 - acc: 0.9195\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2284 - acc: 0.9208\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2272 - acc: 0.9207\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2261 - acc: 0.9216\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2249 - acc: 0.9218\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2238 - acc: 0.9224\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2227 - acc: 0.9235\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2217 - acc: 0.9228\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2206 - acc: 0.9243\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2196 - acc: 0.9248\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2186 - acc: 0.9260\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2176 - acc: 0.9255\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2167 - acc: 0.9266\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2158 - acc: 0.9258\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2148 - acc: 0.9265\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2139 - acc: 0.9260\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2130 - acc: 0.9270\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2122 - acc: 0.9273\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2113 - acc: 0.9275\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2105 - acc: 0.9281\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 56us/step - loss: 0.2096 - acc: 0.9275\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2088 - acc: 0.9283\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9293\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2072 - acc: 0.9287\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2065 - acc: 0.9299\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2057 - acc: 0.9293\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2050 - acc: 0.9298\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2042 - acc: 0.9305\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9306\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2028 - acc: 0.9310\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2021 - acc: 0.9307\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2014 - acc: 0.9311\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2008 - acc: 0.9309\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2001 - acc: 0.9319\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.1994 - acc: 0.9323\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1988 - acc: 0.9321\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1981 - acc: 0.9321\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1975 - acc: 0.9313\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1969 - acc: 0.9325\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1962 - acc: 0.9326\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1957 - acc: 0.9325\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1950 - acc: 0.9326\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1945 - acc: 0.9329\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2391 - acc: 0.9168\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2376 - acc: 0.9168\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2362 - acc: 0.9176\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2348 - acc: 0.9179\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2335 - acc: 0.9182\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2322 - acc: 0.9182\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2309 - acc: 0.9196\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2297 - acc: 0.9199\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2285 - acc: 0.9212\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2273 - acc: 0.9212\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2261 - acc: 0.9214\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2250 - acc: 0.9227\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2239 - acc: 0.9224\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2228 - acc: 0.9227\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2217 - acc: 0.9236\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2208 - acc: 0.9236\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2197 - acc: 0.9243\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2187 - acc: 0.9250\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2177 - acc: 0.9251\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2168 - acc: 0.9256\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2158 - acc: 0.9262\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2149 - acc: 0.9259\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2140 - acc: 0.9270\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2131 - acc: 0.9266\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2122 - acc: 0.9271\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2113 - acc: 0.9275\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2105 - acc: 0.9277\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2097 - acc: 0.9279\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2089 - acc: 0.9287\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2081 - acc: 0.9287\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2073 - acc: 0.9283\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2065 - acc: 0.9293\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2058 - acc: 0.9299\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2050 - acc: 0.9303\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2043 - acc: 0.9301\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2036 - acc: 0.9307\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2028 - acc: 0.9307\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2022 - acc: 0.9314\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2015 - acc: 0.9309\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2008 - acc: 0.9321\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2001 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1995 - acc: 0.9317\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1988 - acc: 0.9323\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.1981 - acc: 0.9325\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1975 - acc: 0.9323\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1969 - acc: 0.9329\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1963 - acc: 0.9323\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1957 - acc: 0.9321\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1951 - acc: 0.9327\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1945 - acc: 0.9333\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2390 - acc: 0.9163\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2376 - acc: 0.9168\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2362 - acc: 0.9176\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2348 - acc: 0.9175\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2335 - acc: 0.9183\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2322 - acc: 0.9187\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2309 - acc: 0.9192\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2297 - acc: 0.9202\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2285 - acc: 0.9204\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2273 - acc: 0.9211\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2262 - acc: 0.9215\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2251 - acc: 0.9224\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 56us/step - loss: 0.2239 - acc: 0.9227\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.2228 - acc: 0.9232\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2218 - acc: 0.9231\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2207 - acc: 0.9240\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2197 - acc: 0.9243\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 59us/step - loss: 0.2187 - acc: 0.9244\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2177 - acc: 0.9248\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 56us/step - loss: 0.2168 - acc: 0.9262\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 57us/step - loss: 0.2158 - acc: 0.9259\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2149 - acc: 0.9255\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2140 - acc: 0.9269\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 53us/step - loss: 0.2131 - acc: 0.9269\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 56us/step - loss: 0.2122 - acc: 0.9274\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2114 - acc: 0.9277\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 67us/step - loss: 0.2105 - acc: 0.9273\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2097 - acc: 0.9274\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2089 - acc: 0.9283\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2081 - acc: 0.9286\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2073 - acc: 0.9285\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2065 - acc: 0.9290\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2058 - acc: 0.9291\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.2050 - acc: 0.9298\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 59us/step - loss: 0.2043 - acc: 0.9302\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 58us/step - loss: 0.2035 - acc: 0.9305\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2029 - acc: 0.9313\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2021 - acc: 0.9306\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2014 - acc: 0.9319\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2008 - acc: 0.9322\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.2001 - acc: 0.9315\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 55us/step - loss: 0.1995 - acc: 0.9322\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 56us/step - loss: 0.1988 - acc: 0.9326\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 60us/step - loss: 0.1981 - acc: 0.9326\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.1975 - acc: 0.9327\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1969 - acc: 0.9325\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1963 - acc: 0.9330\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 52us/step - loss: 0.1957 - acc: 0.9325\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 60us/step - loss: 0.1951 - acc: 0.9330\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 54us/step - loss: 0.1945 - acc: 0.9327\n",
+      "   0.9046802396319772\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2390 - acc: 0.9194\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2375 - acc: 0.9206\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2361 - acc: 0.9214\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2347 - acc: 0.9211\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2334 - acc: 0.9222\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2320 - acc: 0.9231\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2307 - acc: 0.9231\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2295 - acc: 0.9232\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2282 - acc: 0.9246\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2270 - acc: 0.9248\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2259 - acc: 0.9252\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2248 - acc: 0.9260\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2236 - acc: 0.9260\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2225 - acc: 0.9265\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2214 - acc: 0.9266\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2204 - acc: 0.9271\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2194 - acc: 0.9273\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2183 - acc: 0.9278\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2174 - acc: 0.9283\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2164 - acc: 0.9283\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2154 - acc: 0.9289\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2145 - acc: 0.9294\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2136 - acc: 0.9294\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2127 - acc: 0.9291\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2118 - acc: 0.9301\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2109 - acc: 0.9301\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2101 - acc: 0.9301\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2093 - acc: 0.9307\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2085 - acc: 0.9305\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2076 - acc: 0.9309\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2068 - acc: 0.9315\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2061 - acc: 0.9317\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2053 - acc: 0.9317\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2046 - acc: 0.9325\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2038 - acc: 0.9327\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2031 - acc: 0.9331\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2023 - acc: 0.9327\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2016 - acc: 0.9326\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2009 - acc: 0.9338\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2003 - acc: 0.9335\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1995 - acc: 0.9335\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1990 - acc: 0.9337\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1982 - acc: 0.9333\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1976 - acc: 0.9343\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1970 - acc: 0.9341\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1963 - acc: 0.9345\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1957 - acc: 0.9341\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1952 - acc: 0.9354\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1945 - acc: 0.9353\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1940 - acc: 0.9354\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2388 - acc: 0.9198\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2374 - acc: 0.9208\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2360 - acc: 0.9208\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2345 - acc: 0.9212\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2332 - acc: 0.9215\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2319 - acc: 0.9224\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2306 - acc: 0.9231\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2293 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2281 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2269 - acc: 0.9248\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2258 - acc: 0.9255\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2246 - acc: 0.9256\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2235 - acc: 0.9263\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2224 - acc: 0.9266\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2213 - acc: 0.9270\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9279\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2193 - acc: 0.9281\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2183 - acc: 0.9275\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2173 - acc: 0.9285\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2163 - acc: 0.9289\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2154 - acc: 0.9287\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2144 - acc: 0.9293\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2135 - acc: 0.9299\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2126 - acc: 0.9295\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2117 - acc: 0.9299\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2108 - acc: 0.9303\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2100 - acc: 0.9307\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9306\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2083 - acc: 0.9310\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2076 - acc: 0.9307\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2067 - acc: 0.9318\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2060 - acc: 0.9315\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2052 - acc: 0.9319\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2044 - acc: 0.9317\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2037 - acc: 0.9318\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2030 - acc: 0.9326\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2022 - acc: 0.9325\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2015 - acc: 0.9329\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2009 - acc: 0.9330\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2002 - acc: 0.9327\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1995 - acc: 0.9330\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1988 - acc: 0.9331\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1982 - acc: 0.9333\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1975 - acc: 0.9346\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1969 - acc: 0.9341\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.1962 - acc: 0.9346\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1956 - acc: 0.9346\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1951 - acc: 0.9355\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1944 - acc: 0.9351\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.1938 - acc: 0.9355\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2390 - acc: 0.9202\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2375 - acc: 0.9200\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2361 - acc: 0.9203\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2347 - acc: 0.9212\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2334 - acc: 0.9219\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2321 - acc: 0.9224\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2308 - acc: 0.9235\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2295 - acc: 0.9239\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2283 - acc: 0.9246\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2271 - acc: 0.9248\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2259 - acc: 0.9252\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2248 - acc: 0.9262\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2237 - acc: 0.9265\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2226 - acc: 0.9273\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2216 - acc: 0.9270\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2205 - acc: 0.9267\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2195 - acc: 0.9278\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2184 - acc: 0.9274\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2175 - acc: 0.9275\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2164 - acc: 0.9283\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2155 - acc: 0.9286\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2145 - acc: 0.9294\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2137 - acc: 0.9291\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2127 - acc: 0.9293\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2118 - acc: 0.9295\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2110 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2102 - acc: 0.9298\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2093 - acc: 0.9307\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.2085 - acc: 0.9303\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2077 - acc: 0.9305\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2069 - acc: 0.9314\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2061 - acc: 0.9317\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2053 - acc: 0.9322\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2045 - acc: 0.9318\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2039 - acc: 0.9322\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2031 - acc: 0.9326\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2024 - acc: 0.9323\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2017 - acc: 0.9325\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9327\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2003 - acc: 0.9329\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1997 - acc: 0.9331\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1989 - acc: 0.9337\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1983 - acc: 0.9337\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1977 - acc: 0.9341\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1970 - acc: 0.9342\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1964 - acc: 0.9343\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1958 - acc: 0.9339\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9351\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1945 - acc: 0.9349\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9354\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2389 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2374 - acc: 0.9207\n",
+      "Epoch 3/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2360 - acc: 0.9214\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2347 - acc: 0.9215\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2333 - acc: 0.9216\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2320 - acc: 0.9228\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9238\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2294 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2271 - acc: 0.9258\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2259 - acc: 0.9255\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2247 - acc: 0.9260\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2235 - acc: 0.9265\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2225 - acc: 0.9266\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2214 - acc: 0.9275\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2204 - acc: 0.9277\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2193 - acc: 0.9277\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2183 - acc: 0.9285\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2173 - acc: 0.9293\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2164 - acc: 0.9287\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2154 - acc: 0.9291\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2144 - acc: 0.9294\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2136 - acc: 0.9291\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2126 - acc: 0.9297\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2118 - acc: 0.9302\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2109 - acc: 0.9303\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2101 - acc: 0.9306\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2092 - acc: 0.9305\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2084 - acc: 0.9307\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9313\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2069 - acc: 0.9307\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2060 - acc: 0.9313\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2053 - acc: 0.9317\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2045 - acc: 0.9322\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2038 - acc: 0.9314\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2030 - acc: 0.9322\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2023 - acc: 0.9333\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2016 - acc: 0.9330\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2009 - acc: 0.9326\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2002 - acc: 0.9331\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9330\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1989 - acc: 0.9341\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1983 - acc: 0.9339\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9343\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1969 - acc: 0.9338\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1964 - acc: 0.9341\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9343\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9346\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9347\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9351\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2389 - acc: 0.9202\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2375 - acc: 0.9208\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2360 - acc: 0.9218\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2346 - acc: 0.9220\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2333 - acc: 0.9223\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2320 - acc: 0.9228\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9236\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2294 - acc: 0.9236\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2282 - acc: 0.9251\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9256\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2258 - acc: 0.9258\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2247 - acc: 0.9254\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2236 - acc: 0.9265\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2224 - acc: 0.9270\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9275\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9277\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2193 - acc: 0.9282\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2183 - acc: 0.9281\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2173 - acc: 0.9287\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2163 - acc: 0.9287\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2154 - acc: 0.9287\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2145 - acc: 0.9294\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2135 - acc: 0.9294\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2127 - acc: 0.9291\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2117 - acc: 0.9297\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2109 - acc: 0.9302\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2101 - acc: 0.9302\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2092 - acc: 0.9305\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2084 - acc: 0.9311\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9307\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2068 - acc: 0.9313\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2060 - acc: 0.9315\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2052 - acc: 0.9321\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2045 - acc: 0.9327\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2037 - acc: 0.9326\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2030 - acc: 0.9323\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2023 - acc: 0.9331\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2016 - acc: 0.9337\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2009 - acc: 0.9331\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2002 - acc: 0.9335\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1995 - acc: 0.9335\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1989 - acc: 0.9337\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1981 - acc: 0.9343\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1975 - acc: 0.9338\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1969 - acc: 0.9345\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1963 - acc: 0.9350\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9357\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9351\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1944 - acc: 0.9355\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9355\n",
+      "   0.9109868017010626\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2373 - acc: 0.9180\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2358 - acc: 0.9194\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2345 - acc: 0.9196\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2331 - acc: 0.9200\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2318 - acc: 0.9210\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2304 - acc: 0.9223\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2292 - acc: 0.9226\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2279 - acc: 0.9223\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2268 - acc: 0.9224\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2256 - acc: 0.9231\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2244 - acc: 0.9235\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2233 - acc: 0.9238\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2222 - acc: 0.9242\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2211 - acc: 0.9247\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2200 - acc: 0.9247\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2190 - acc: 0.9256\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2180 - acc: 0.9262\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2170 - acc: 0.9260\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2160 - acc: 0.9263\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2151 - acc: 0.9269\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2141 - acc: 0.9273\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2132 - acc: 0.9274\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2123 - acc: 0.9279\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2114 - acc: 0.9282\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2106 - acc: 0.9286\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2097 - acc: 0.9281\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2088 - acc: 0.9287\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2081 - acc: 0.9291\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9298\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2065 - acc: 0.9294\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2057 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2042 - acc: 0.9310\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2034 - acc: 0.9313\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2027 - acc: 0.9315\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9319\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2013 - acc: 0.9319\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2006 - acc: 0.9319\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1999 - acc: 0.9322\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9329\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1986 - acc: 0.9323\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1979 - acc: 0.9327\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1973 - acc: 0.9327\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9329\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9326\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1954 - acc: 0.9331\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9329\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1942 - acc: 0.9331\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1936 - acc: 0.9327\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1930 - acc: 0.9337\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2373 - acc: 0.9176\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2358 - acc: 0.9179\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2345 - acc: 0.9191\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2331 - acc: 0.9206\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2318 - acc: 0.9203\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2305 - acc: 0.9204\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2292 - acc: 0.9216\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2279 - acc: 0.9219\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2268 - acc: 0.9220\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2256 - acc: 0.9234\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2244 - acc: 0.9231\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2233 - acc: 0.9235\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2222 - acc: 0.9242\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2211 - acc: 0.9246\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2201 - acc: 0.9250\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2190 - acc: 0.9251\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2180 - acc: 0.9258\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9256\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2160 - acc: 0.9258\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9267\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2141 - acc: 0.9274\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2132 - acc: 0.9281\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2124 - acc: 0.9277\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2115 - acc: 0.9286\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9282\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2098 - acc: 0.9279\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2089 - acc: 0.9287\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2081 - acc: 0.9293\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2072 - acc: 0.9301\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2064 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9298\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2049 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2041 - acc: 0.9307\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2034 - acc: 0.9314\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2027 - acc: 0.9314\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9317\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2012 - acc: 0.9321\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2006 - acc: 0.9317\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.1999 - acc: 0.9323\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.1992 - acc: 0.9322\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9329\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9326\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1972 - acc: 0.9327\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9326\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9325\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1954 - acc: 0.9327\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9335\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1942 - acc: 0.9333\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1936 - acc: 0.9325\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1930 - acc: 0.9331\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2372 - acc: 0.9180\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2358 - acc: 0.9191\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2345 - acc: 0.9184\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 51us/step - loss: 0.2330 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 48us/step - loss: 0.2317 - acc: 0.9204\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2304 - acc: 0.9207\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 50us/step - loss: 0.2292 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2279 - acc: 0.9227\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2268 - acc: 0.9228\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2255 - acc: 0.9223\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2244 - acc: 0.9232\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2232 - acc: 0.9242\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2222 - acc: 0.9243\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2211 - acc: 0.9248\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2200 - acc: 0.9244\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2189 - acc: 0.9254\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2180 - acc: 0.9258\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9259\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9266\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2151 - acc: 0.9273\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2141 - acc: 0.9274\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9278\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2123 - acc: 0.9278\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2114 - acc: 0.9281\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9286\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2097 - acc: 0.9287\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2089 - acc: 0.9295\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9299\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2072 - acc: 0.9294\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2065 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9295\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2049 - acc: 0.9306\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2041 - acc: 0.9309\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2034 - acc: 0.9315\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2026 - acc: 0.9314\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2020 - acc: 0.9321\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2012 - acc: 0.9318\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2005 - acc: 0.9322\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1999 - acc: 0.9318\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1993 - acc: 0.9317\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9327\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9323\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1973 - acc: 0.9323\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9326\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9331\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1953 - acc: 0.9333\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1948 - acc: 0.9331\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1942 - acc: 0.9333\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1936 - acc: 0.9333\n",
+      "Epoch 50/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1930 - acc: 0.9338\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2374 - acc: 0.9190\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2359 - acc: 0.9188\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2346 - acc: 0.9195\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2332 - acc: 0.9192\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2319 - acc: 0.9203\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2306 - acc: 0.9211\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2293 - acc: 0.9220\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2280 - acc: 0.9223\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2269 - acc: 0.9231\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2257 - acc: 0.9234\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9240\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2234 - acc: 0.9234\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2223 - acc: 0.9246\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2212 - acc: 0.9242\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2202 - acc: 0.9248\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2191 - acc: 0.9252\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2181 - acc: 0.9256\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2171 - acc: 0.9252\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2162 - acc: 0.9263\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9267\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2142 - acc: 0.9277\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9263\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2124 - acc: 0.9278\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2115 - acc: 0.9281\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2107 - acc: 0.9281\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2098 - acc: 0.9286\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2090 - acc: 0.9293\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2082 - acc: 0.9290\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2074 - acc: 0.9291\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2065 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2058 - acc: 0.9301\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2050 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2043 - acc: 0.9310\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9302\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2028 - acc: 0.9315\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2021 - acc: 0.9318\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2014 - acc: 0.9318\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2007 - acc: 0.9314\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2000 - acc: 0.9319\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1993 - acc: 0.9322\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1987 - acc: 0.9322\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1980 - acc: 0.9322\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1973 - acc: 0.9325\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1967 - acc: 0.9325\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1962 - acc: 0.9319\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1955 - acc: 0.9326\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1948 - acc: 0.9326\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1943 - acc: 0.9329\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1937 - acc: 0.9333\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1931 - acc: 0.9338\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2372 - acc: 0.9187\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2358 - acc: 0.9180\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2344 - acc: 0.9198\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2330 - acc: 0.9210\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2317 - acc: 0.9211\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2304 - acc: 0.9218\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2292 - acc: 0.9214\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2279 - acc: 0.9228\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2267 - acc: 0.9222\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2255 - acc: 0.9234\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2244 - acc: 0.9243\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2233 - acc: 0.9244\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2221 - acc: 0.9240\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2210 - acc: 0.9255\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2200 - acc: 0.9243\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2190 - acc: 0.9252\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2180 - acc: 0.9259\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2170 - acc: 0.9262\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2160 - acc: 0.9255\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2150 - acc: 0.9265\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2141 - acc: 0.9274\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9275\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2122 - acc: 0.9282\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2114 - acc: 0.9281\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2105 - acc: 0.9291\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2097 - acc: 0.9285\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2088 - acc: 0.9293\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9291\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2064 - acc: 0.9298\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2056 - acc: 0.9299\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9301\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2041 - acc: 0.9307\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2034 - acc: 0.9306\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2027 - acc: 0.9314\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9310\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2012 - acc: 0.9313\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2005 - acc: 0.9318\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1999 - acc: 0.9319\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9321\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9321\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1979 - acc: 0.9330\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1972 - acc: 0.9329\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9325\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9330\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1953 - acc: 0.9329\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1947 - acc: 0.9331\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1942 - acc: 0.9326\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1936 - acc: 0.9330\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1930 - acc: 0.9338\n",
+      "   0.8982259354106072\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2405 - acc: 0.9198\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2391 - acc: 0.9199\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2376 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2362 - acc: 0.9215\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2349 - acc: 0.9215\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2336 - acc: 0.9223\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2322 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2310 - acc: 0.9235\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2298 - acc: 0.9234\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2286 - acc: 0.9239\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2275 - acc: 0.9238\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2263 - acc: 0.9246\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2252 - acc: 0.9247\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2240 - acc: 0.9263\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2230 - acc: 0.9252\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2219 - acc: 0.9267\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2209 - acc: 0.9262\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2199 - acc: 0.9254\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2189 - acc: 0.9274\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2179 - acc: 0.9274\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9281\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9273\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2151 - acc: 0.9285\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2142 - acc: 0.9286\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9289\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2125 - acc: 0.9286\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2116 - acc: 0.9299\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2108 - acc: 0.9301\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2099 - acc: 0.9302\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2091 - acc: 0.9311\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2083 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2076 - acc: 0.9311\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2068 - acc: 0.9311\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2060 - acc: 0.9323\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2053 - acc: 0.9313\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2045 - acc: 0.9318\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2038 - acc: 0.9326\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2031 - acc: 0.9330\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9321\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9329\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2010 - acc: 0.9331\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9331\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9333\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1991 - acc: 0.9333\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1984 - acc: 0.9334\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1978 - acc: 0.9341\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1971 - acc: 0.9341\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9339\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1959 - acc: 0.9351\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1953 - acc: 0.9345\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2406 - acc: 0.9198\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2391 - acc: 0.9204\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9211\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2363 - acc: 0.9216\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2350 - acc: 0.9218\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2336 - acc: 0.9227\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2324 - acc: 0.9231\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2311 - acc: 0.9223\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2298 - acc: 0.9232\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2287 - acc: 0.9243\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2275 - acc: 0.9248\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2263 - acc: 0.9251\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2252 - acc: 0.9258\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2241 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2231 - acc: 0.9255\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2220 - acc: 0.9258\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2210 - acc: 0.9265\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2200 - acc: 0.9267\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2189 - acc: 0.9275\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2180 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2170 - acc: 0.9277\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9281\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9290\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9289\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2134 - acc: 0.9287\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2125 - acc: 0.9294\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2116 - acc: 0.9305\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2108 - acc: 0.9302\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2100 - acc: 0.9305\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9307\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2084 - acc: 0.9307\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2076 - acc: 0.9313\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2068 - acc: 0.9309\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2061 - acc: 0.9313\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2053 - acc: 0.9313\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9318\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2039 - acc: 0.9323\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2031 - acc: 0.9327\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9329\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2017 - acc: 0.9325\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2011 - acc: 0.9329\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9331\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1997 - acc: 0.9337\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1991 - acc: 0.9337\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1984 - acc: 0.9337\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1978 - acc: 0.9346\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9346\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9351\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1960 - acc: 0.9346\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1954 - acc: 0.9354\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2406 - acc: 0.9192\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2392 - acc: 0.9204\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2378 - acc: 0.9210\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2364 - acc: 0.9208\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2350 - acc: 0.9219\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2338 - acc: 0.9226\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2324 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2312 - acc: 0.9235\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2300 - acc: 0.9232\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2287 - acc: 0.9236\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2276 - acc: 0.9246\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2264 - acc: 0.9254\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2253 - acc: 0.9252\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2243 - acc: 0.9255\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2232 - acc: 0.9258\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2221 - acc: 0.9260\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2210 - acc: 0.9270\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2201 - acc: 0.9270\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2190 - acc: 0.9271\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2180 - acc: 0.9282\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2171 - acc: 0.9279\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9282\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2153 - acc: 0.9289\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9279\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9291\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2125 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2117 - acc: 0.9291\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2109 - acc: 0.9305\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2100 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9307\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2084 - acc: 0.9311\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2077 - acc: 0.9306\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9310\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9313\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2053 - acc: 0.9315\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9325\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2039 - acc: 0.9327\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2032 - acc: 0.9329\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2025 - acc: 0.9327\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2018 - acc: 0.9330\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2011 - acc: 0.9331\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9334\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9337\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1991 - acc: 0.9338\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9339\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9339\n",
+      "Epoch 47/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1973 - acc: 0.9346\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9347\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9351\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1954 - acc: 0.9354\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2406 - acc: 0.9196\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2391 - acc: 0.9196\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2364 - acc: 0.9208\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2350 - acc: 0.9212\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2337 - acc: 0.9226\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2324 - acc: 0.9222\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2312 - acc: 0.9238\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2299 - acc: 0.9232\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2287 - acc: 0.9239\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2275 - acc: 0.9235\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2264 - acc: 0.9244\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2253 - acc: 0.9252\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2241 - acc: 0.9252\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2231 - acc: 0.9244\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2220 - acc: 0.9260\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2210 - acc: 0.9259\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2200 - acc: 0.9270\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2190 - acc: 0.9271\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2180 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9278\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9285\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2152 - acc: 0.9279\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9290\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9293\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2125 - acc: 0.9293\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2117 - acc: 0.9297\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2108 - acc: 0.9291\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2100 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2092 - acc: 0.9307\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2084 - acc: 0.9306\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2076 - acc: 0.9315\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9310\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2053 - acc: 0.9319\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2046 - acc: 0.9315\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2039 - acc: 0.9319\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2032 - acc: 0.9318\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2024 - acc: 0.9325\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9321\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2011 - acc: 0.9327\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2004 - acc: 0.9334\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1998 - acc: 0.9335\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1991 - acc: 0.9337\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9338\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9343\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1973 - acc: 0.9335\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9347\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9347\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1954 - acc: 0.9345\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2407 - acc: 0.9195\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2392 - acc: 0.9203\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2378 - acc: 0.9196\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2364 - acc: 0.9203\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2351 - acc: 0.9210\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2337 - acc: 0.9216\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2325 - acc: 0.9227\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2313 - acc: 0.9231\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2300 - acc: 0.9235\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2289 - acc: 0.9242\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2276 - acc: 0.9243\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2265 - acc: 0.9250\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2254 - acc: 0.9246\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2243 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2231 - acc: 0.9252\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2221 - acc: 0.9259\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2210 - acc: 0.9266\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2200 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2191 - acc: 0.9265\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2181 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2171 - acc: 0.9281\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2162 - acc: 0.9279\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2153 - acc: 0.9285\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2143 - acc: 0.9283\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9294\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2126 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2117 - acc: 0.9298\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2109 - acc: 0.9299\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2101 - acc: 0.9303\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2092 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2085 - acc: 0.9306\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2077 - acc: 0.9303\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2069 - acc: 0.9313\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2061 - acc: 0.9314\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2054 - acc: 0.9317\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2046 - acc: 0.9317\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2040 - acc: 0.9313\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2032 - acc: 0.9322\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9325\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9325\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2012 - acc: 0.9329\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2004 - acc: 0.9329\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1999 - acc: 0.9335\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1992 - acc: 0.9333\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1986 - acc: 0.9342\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1979 - acc: 0.9334\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1973 - acc: 0.9345\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9350\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1960 - acc: 0.9347\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1954 - acc: 0.9347\n",
+      "   0.9167139794913389\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9204\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2362 - acc: 0.9211\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9211\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2334 - acc: 0.9220\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2321 - acc: 0.9224\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2308 - acc: 0.9230\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2295 - acc: 0.9235\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2282 - acc: 0.9236\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9240\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2258 - acc: 0.9240\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9247\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2235 - acc: 0.9255\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2224 - acc: 0.9255\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9258\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2202 - acc: 0.9266\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2192 - acc: 0.9271\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2181 - acc: 0.9270\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2171 - acc: 0.9271\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2161 - acc: 0.9278\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2152 - acc: 0.9273\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2142 - acc: 0.9277\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2133 - acc: 0.9286\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2124 - acc: 0.9287\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2115 - acc: 0.9293\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9290\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2098 - acc: 0.9294\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2089 - acc: 0.9291\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2081 - acc: 0.9301\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2073 - acc: 0.9302\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2065 - acc: 0.9302\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9306\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9309\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2041 - acc: 0.9315\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2034 - acc: 0.9315\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2026 - acc: 0.9315\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2019 - acc: 0.9327\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2012 - acc: 0.9322\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2005 - acc: 0.9323\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1998 - acc: 0.9329\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1991 - acc: 0.9341\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9331\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1977 - acc: 0.9334\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1971 - acc: 0.9333\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1965 - acc: 0.9335\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1959 - acc: 0.9345\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 49us/step - loss: 0.1953 - acc: 0.9342\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1946 - acc: 0.9339\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1940 - acc: 0.9345\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1934 - acc: 0.9343\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1928 - acc: 0.9337\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2378 - acc: 0.9194\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2364 - acc: 0.9204\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2349 - acc: 0.9211\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2336 - acc: 0.9220\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2322 - acc: 0.9224\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2309 - acc: 0.9228\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2296 - acc: 0.9238\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2271 - acc: 0.9239\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2259 - acc: 0.9247\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2248 - acc: 0.9250\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2236 - acc: 0.9256\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2225 - acc: 0.9256\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2214 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9267\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2193 - acc: 0.9270\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2182 - acc: 0.9271\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 47us/step - loss: 0.2172 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2162 - acc: 0.9271\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2153 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9279\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2134 - acc: 0.9285\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2125 - acc: 0.9287\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2116 - acc: 0.9287\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2107 - acc: 0.9294\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2099 - acc: 0.9298\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2090 - acc: 0.9303\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2081 - acc: 0.9295\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2074 - acc: 0.9303\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2066 - acc: 0.9306\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2058 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2050 - acc: 0.9306\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2042 - acc: 0.9315\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2035 - acc: 0.9310\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2028 - acc: 0.9313\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9325\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2013 - acc: 0.9319\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2006 - acc: 0.9322\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1999 - acc: 0.9331\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1993 - acc: 0.9331\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9333\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1979 - acc: 0.9333\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9335\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9335\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1959 - acc: 0.9338\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1953 - acc: 0.9339\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1947 - acc: 0.9338\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1941 - acc: 0.9342\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1935 - acc: 0.9346\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1929 - acc: 0.9347\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2362 - acc: 0.9203\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9210\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2334 - acc: 0.9222\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2320 - acc: 0.9224\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2308 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2295 - acc: 0.9240\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2282 - acc: 0.9239\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9243\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2258 - acc: 0.9244\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9248\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2235 - acc: 0.9252\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2224 - acc: 0.9260\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9258\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2202 - acc: 0.9269\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2192 - acc: 0.9267\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2182 - acc: 0.9267\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2171 - acc: 0.9277\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2162 - acc: 0.9274\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2152 - acc: 0.9271\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2142 - acc: 0.9275\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2133 - acc: 0.9285\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2124 - acc: 0.9285\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2115 - acc: 0.9283\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9289\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2098 - acc: 0.9297\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2089 - acc: 0.9298\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2081 - acc: 0.9297\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2073 - acc: 0.9302\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2065 - acc: 0.9310\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9305\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9303\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2041 - acc: 0.9305\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9319\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2027 - acc: 0.9314\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9315\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2012 - acc: 0.9318\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2005 - acc: 0.9327\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1998 - acc: 0.9323\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9338\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9337\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1978 - acc: 0.9337\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9331\n",
+      "Epoch 44/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1965 - acc: 0.9335\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1959 - acc: 0.9339\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1953 - acc: 0.9343\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1946 - acc: 0.9347\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1941 - acc: 0.9346\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1934 - acc: 0.9346\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1929 - acc: 0.9353\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2378 - acc: 0.9206\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2363 - acc: 0.9206\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2349 - acc: 0.9210\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2336 - acc: 0.9216\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2322 - acc: 0.9226\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2308 - acc: 0.9231\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2296 - acc: 0.9232\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2271 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2260 - acc: 0.9247\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2248 - acc: 0.9252\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2236 - acc: 0.9258\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2225 - acc: 0.9262\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2214 - acc: 0.9254\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2203 - acc: 0.9269\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2193 - acc: 0.9270\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2182 - acc: 0.9270\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2172 - acc: 0.9273\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2163 - acc: 0.9279\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2153 - acc: 0.9282\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2143 - acc: 0.9275\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2134 - acc: 0.9287\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2125 - acc: 0.9283\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2116 - acc: 0.9294\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2107 - acc: 0.9293\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2098 - acc: 0.9298\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2090 - acc: 0.9301\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2082 - acc: 0.9298\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2074 - acc: 0.9301\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2065 - acc: 0.9306\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9299\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2050 - acc: 0.9315\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2042 - acc: 0.9307\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9322\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2027 - acc: 0.9323\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2020 - acc: 0.9319\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2013 - acc: 0.9323\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2006 - acc: 0.9318\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.1999 - acc: 0.9327\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1992 - acc: 0.9333\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1985 - acc: 0.9334\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1979 - acc: 0.9339\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9334\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1966 - acc: 0.9338\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1959 - acc: 0.9343\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1953 - acc: 0.9341\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1947 - acc: 0.9346\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1942 - acc: 0.9342\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1935 - acc: 0.9345\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1929 - acc: 0.9345\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2362 - acc: 0.9212\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9216\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2335 - acc: 0.9219\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2321 - acc: 0.9223\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2308 - acc: 0.9230\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2295 - acc: 0.9238\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9244\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9250\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2258 - acc: 0.9243\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2247 - acc: 0.9247\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2236 - acc: 0.9258\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2225 - acc: 0.9251\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9262\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2203 - acc: 0.9263\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2192 - acc: 0.9273\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2181 - acc: 0.9273\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2172 - acc: 0.9277\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2162 - acc: 0.9274\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2153 - acc: 0.9274\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2143 - acc: 0.9283\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2133 - acc: 0.9283\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2124 - acc: 0.9282\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2115 - acc: 0.9290\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9295\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2098 - acc: 0.9294\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2090 - acc: 0.9295\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2081 - acc: 0.9305\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2073 - acc: 0.9305\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2065 - acc: 0.9310\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2057 - acc: 0.9306\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2041 - acc: 0.9313\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2034 - acc: 0.9313\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2027 - acc: 0.9319\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9318\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2012 - acc: 0.9321\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2006 - acc: 0.9322\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1999 - acc: 0.9330\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1991 - acc: 0.9337\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1985 - acc: 0.9333\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1979 - acc: 0.9329\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1972 - acc: 0.9335\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1966 - acc: 0.9331\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1959 - acc: 0.9339\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1953 - acc: 0.9338\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1947 - acc: 0.9338\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1941 - acc: 0.9342\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1935 - acc: 0.9350\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1929 - acc: 0.9342\n",
+      "   0.9033717629337813\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2377 - acc: 0.9200\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2363 - acc: 0.9207\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9219\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2334 - acc: 0.9222\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2321 - acc: 0.9236\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2308 - acc: 0.9230\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2295 - acc: 0.9247\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2282 - acc: 0.9240\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9246\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2258 - acc: 0.9251\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2247 - acc: 0.9248\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2235 - acc: 0.9258\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2224 - acc: 0.9265\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2213 - acc: 0.9274\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2202 - acc: 0.9277\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2192 - acc: 0.9279\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2181 - acc: 0.9282\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2171 - acc: 0.9285\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2161 - acc: 0.9291\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2152 - acc: 0.9295\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2142 - acc: 0.9290\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9298\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2123 - acc: 0.9297\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2114 - acc: 0.9306\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2106 - acc: 0.9299\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2097 - acc: 0.9305\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2088 - acc: 0.9306\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9311\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9310\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2063 - acc: 0.9310\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2055 - acc: 0.9315\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2048 - acc: 0.9314\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2040 - acc: 0.9311\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2033 - acc: 0.9319\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9317\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2018 - acc: 0.9329\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2011 - acc: 0.9329\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2004 - acc: 0.9338\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9334\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1990 - acc: 0.9335\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1983 - acc: 0.9341\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9345\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1970 - acc: 0.9338\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1964 - acc: 0.9345\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9349\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9350\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.1945 - acc: 0.9353\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1939 - acc: 0.9350\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1933 - acc: 0.9349\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1927 - acc: 0.9357\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2376 - acc: 0.9212\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2362 - acc: 0.9210\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2348 - acc: 0.9228\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2334 - acc: 0.9224\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2320 - acc: 0.9226\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2307 - acc: 0.9235\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2294 - acc: 0.9238\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2281 - acc: 0.9248\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2269 - acc: 0.9251\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2257 - acc: 0.9248\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9258\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2234 - acc: 0.9251\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2223 - acc: 0.9262\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2212 - acc: 0.9269\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2201 - acc: 0.9273\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2191 - acc: 0.9278\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2180 - acc: 0.9274\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9285\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2160 - acc: 0.9290\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2151 - acc: 0.9287\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2141 - acc: 0.9289\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9301\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2123 - acc: 0.9302\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2114 - acc: 0.9305\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2105 - acc: 0.9311\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2096 - acc: 0.9310\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2088 - acc: 0.9310\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2079 - acc: 0.9310\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2071 - acc: 0.9310\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2063 - acc: 0.9313\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2056 - acc: 0.9315\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2048 - acc: 0.9309\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2039 - acc: 0.9315\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2032 - acc: 0.9323\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9326\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9327\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9329\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2004 - acc: 0.9339\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9335\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1989 - acc: 0.9338\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1983 - acc: 0.9338\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9342\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1970 - acc: 0.9343\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1963 - acc: 0.9345\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9346\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1950 - acc: 0.9350\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1944 - acc: 0.9350\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1938 - acc: 0.9349\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1932 - acc: 0.9350\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1926 - acc: 0.9351\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2377 - acc: 0.9203\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2362 - acc: 0.9212\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2349 - acc: 0.9216\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2335 - acc: 0.9231\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2321 - acc: 0.9223\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2308 - acc: 0.9242\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2294 - acc: 0.9240\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2282 - acc: 0.9244\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9247\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2258 - acc: 0.9254\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2247 - acc: 0.9255\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2235 - acc: 0.9260\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2223 - acc: 0.9269\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2212 - acc: 0.9267\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2202 - acc: 0.9278\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2191 - acc: 0.9270\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2181 - acc: 0.9287\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2171 - acc: 0.9283\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2161 - acc: 0.9290\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2151 - acc: 0.9293\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2141 - acc: 0.9294\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9295\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2123 - acc: 0.9302\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2114 - acc: 0.9302\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2105 - acc: 0.9305\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2097 - acc: 0.9310\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2088 - acc: 0.9305\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2080 - acc: 0.9306\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2071 - acc: 0.9319\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2063 - acc: 0.9306\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2056 - acc: 0.9309\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2048 - acc: 0.9321\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9322\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2033 - acc: 0.9325\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2025 - acc: 0.9318\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2018 - acc: 0.9327\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2011 - acc: 0.9331\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2004 - acc: 0.9330\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1997 - acc: 0.9331\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1990 - acc: 0.9341\n",
+      "Epoch 41/50\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1983 - acc: 0.9346\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1977 - acc: 0.9335\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1970 - acc: 0.9342\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1963 - acc: 0.9343\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9346\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9351\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9350\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1938 - acc: 0.9346\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1932 - acc: 0.9347\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1926 - acc: 0.9351\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 46us/step - loss: 0.2376 - acc: 0.9206\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2362 - acc: 0.9216\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9223\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2334 - acc: 0.9222\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2320 - acc: 0.9231\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9235\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2294 - acc: 0.9235\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2282 - acc: 0.9236\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2269 - acc: 0.9247\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2258 - acc: 0.9254\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2246 - acc: 0.9259\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2234 - acc: 0.9259\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2223 - acc: 0.9265\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2212 - acc: 0.9270\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2202 - acc: 0.9267\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2190 - acc: 0.9274\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2181 - acc: 0.9281\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2170 - acc: 0.9283\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2161 - acc: 0.9282\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2151 - acc: 0.9291\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2141 - acc: 0.9289\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2132 - acc: 0.9297\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2123 - acc: 0.9298\n",
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2114 - acc: 0.9294\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2105 - acc: 0.9301\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2096 - acc: 0.9302\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2088 - acc: 0.9305\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 42us/step - loss: 0.2079 - acc: 0.9314\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2071 - acc: 0.9309\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2063 - acc: 0.9313\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2056 - acc: 0.9313\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2048 - acc: 0.9319\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9326\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2032 - acc: 0.9323\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2025 - acc: 0.9325\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2018 - acc: 0.9335\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2010 - acc: 0.9327\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2003 - acc: 0.9327\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1996 - acc: 0.9334\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1989 - acc: 0.9335\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1983 - acc: 0.9342\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1977 - acc: 0.9333\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1970 - acc: 0.9339\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1963 - acc: 0.9347\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1957 - acc: 0.9346\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9350\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9354\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1938 - acc: 0.9347\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1932 - acc: 0.9357\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1926 - acc: 0.9350\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2376 - acc: 0.9210\n",
+      "Epoch 2/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2361 - acc: 0.9212\n",
+      "Epoch 3/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2347 - acc: 0.9212\n",
+      "Epoch 4/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2333 - acc: 0.9228\n",
+      "Epoch 5/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2320 - acc: 0.9234\n",
+      "Epoch 6/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2307 - acc: 0.9242\n",
+      "Epoch 7/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2294 - acc: 0.9240\n",
+      "Epoch 8/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2282 - acc: 0.9242\n",
+      "Epoch 9/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2269 - acc: 0.9244\n",
+      "Epoch 10/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2257 - acc: 0.9248\n",
+      "Epoch 11/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2246 - acc: 0.9258\n",
+      "Epoch 12/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2234 - acc: 0.9263\n",
+      "Epoch 13/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2223 - acc: 0.9260\n",
+      "Epoch 14/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2212 - acc: 0.9260\n",
+      "Epoch 15/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2201 - acc: 0.9273\n",
+      "Epoch 16/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2191 - acc: 0.9279\n",
+      "Epoch 17/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2180 - acc: 0.9278\n",
+      "Epoch 18/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2170 - acc: 0.9291\n",
+      "Epoch 19/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2160 - acc: 0.9291\n",
+      "Epoch 20/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2150 - acc: 0.9293\n",
+      "Epoch 21/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2141 - acc: 0.9291\n",
+      "Epoch 22/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2132 - acc: 0.9298\n",
+      "Epoch 23/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2123 - acc: 0.9294\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 24/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2114 - acc: 0.9302\n",
+      "Epoch 25/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2105 - acc: 0.9306\n",
+      "Epoch 26/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2096 - acc: 0.9305\n",
+      "Epoch 27/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2088 - acc: 0.9309\n",
+      "Epoch 28/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9314\n",
+      "Epoch 29/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2071 - acc: 0.9313\n",
+      "Epoch 30/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2063 - acc: 0.9313\n",
+      "Epoch 31/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.2055 - acc: 0.9318\n",
+      "Epoch 32/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2047 - acc: 0.9309\n",
+      "Epoch 33/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2040 - acc: 0.9322\n",
+      "Epoch 34/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2032 - acc: 0.9319\n",
+      "Epoch 35/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.2025 - acc: 0.9329\n",
+      "Epoch 36/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2017 - acc: 0.9329\n",
+      "Epoch 37/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2010 - acc: 0.9327\n",
+      "Epoch 38/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.2003 - acc: 0.9335\n",
+      "Epoch 39/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1996 - acc: 0.9339\n",
+      "Epoch 40/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1989 - acc: 0.9339\n",
+      "Epoch 41/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1983 - acc: 0.9341\n",
+      "Epoch 42/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1976 - acc: 0.9337\n",
+      "Epoch 43/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1969 - acc: 0.9346\n",
+      "Epoch 44/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1963 - acc: 0.9341\n",
+      "Epoch 45/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1957 - acc: 0.9350\n",
+      "Epoch 46/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1951 - acc: 0.9346\n",
+      "Epoch 47/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1944 - acc: 0.9350\n",
+      "Epoch 48/50\n",
+      "7478/7478 [==============================] - 0s 44us/step - loss: 0.1938 - acc: 0.9354\n",
+      "Epoch 49/50\n",
+      "7478/7478 [==============================] - 0s 45us/step - loss: 0.1933 - acc: 0.9351\n",
+      "Epoch 50/50\n",
+      "7478/7478 [==============================] - 0s 43us/step - loss: 0.1926 - acc: 0.9353\n",
+      "   0.9027576617808932\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2388 - acc: 0.9190\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2373 - acc: 0.9199\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2359 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2346 - acc: 0.9214\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2333 - acc: 0.9220\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2319 - acc: 0.9222\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2294 - acc: 0.9234\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2282 - acc: 0.9242\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9234\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2259 - acc: 0.9241\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2248 - acc: 0.9239\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2237 - acc: 0.9247\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2226 - acc: 0.9251\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2216 - acc: 0.9255\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2205 - acc: 0.9263\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2195 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2185 - acc: 0.9262\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2175 - acc: 0.9267\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2165 - acc: 0.9274\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2156 - acc: 0.9275\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2146 - acc: 0.9283\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2138 - acc: 0.9279\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2129 - acc: 0.9283\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2120 - acc: 0.9287\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2112 - acc: 0.9295\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2104 - acc: 0.9301\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2095 - acc: 0.9297\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2087 - acc: 0.9293\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2079 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9299\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2064 - acc: 0.9298\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2056 - acc: 0.9306\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 0s 45us/step - loss: 0.2048 - acc: 0.9309\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2041 - acc: 0.9302\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 0s 47us/step - loss: 0.2034 - acc: 0.9307\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2027 - acc: 0.9314\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9319\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2013 - acc: 0.9313\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2006 - acc: 0.9317\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2000 - acc: 0.9314\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1993 - acc: 0.9322\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1987 - acc: 0.9314\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1981 - acc: 0.9323\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1974 - acc: 0.9322\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1968 - acc: 0.9322\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1962 - acc: 0.9326\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1956 - acc: 0.9330\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1950 - acc: 0.9331\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1944 - acc: 0.9335\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2388 - acc: 0.9191\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2373 - acc: 0.9202\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2359 - acc: 0.9206\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2345 - acc: 0.9215\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2332 - acc: 0.9222\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2319 - acc: 0.9219\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9234\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2294 - acc: 0.9231\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9234\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9239\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2259 - acc: 0.9243\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2247 - acc: 0.9249\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2236 - acc: 0.9247\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2226 - acc: 0.9246\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2215 - acc: 0.9255\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2205 - acc: 0.9258\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2195 - acc: 0.9263\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2185 - acc: 0.9254\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2175 - acc: 0.9267\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2165 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2156 - acc: 0.9271\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2147 - acc: 0.9279\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2138 - acc: 0.9283\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2129 - acc: 0.9285\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2120 - acc: 0.9290\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2112 - acc: 0.9291\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2103 - acc: 0.9291\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2095 - acc: 0.9295\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2087 - acc: 0.9295\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2079 - acc: 0.9299\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2072 - acc: 0.9303\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2064 - acc: 0.9299\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2056 - acc: 0.9303\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 0s 42us/step - loss: 0.2049 - acc: 0.9302\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2042 - acc: 0.9311\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2034 - acc: 0.9315\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2027 - acc: 0.9314\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2020 - acc: 0.9313\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2014 - acc: 0.9315\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2006 - acc: 0.9321\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2000 - acc: 0.9317\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1994 - acc: 0.9313\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1987 - acc: 0.9322\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1980 - acc: 0.9319\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1975 - acc: 0.9323\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1969 - acc: 0.9321\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1962 - acc: 0.9329\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1956 - acc: 0.9334\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1950 - acc: 0.9329\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9331\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2389 - acc: 0.9190\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2374 - acc: 0.9202\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2361 - acc: 0.9207\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2346 - acc: 0.9215\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2333 - acc: 0.9218\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2320 - acc: 0.9224\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2295 - acc: 0.9229\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9239\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2271 - acc: 0.9231\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2260 - acc: 0.9241\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2249 - acc: 0.9237\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2237 - acc: 0.9249\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2226 - acc: 0.9249\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2215 - acc: 0.9253\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2205 - acc: 0.9258\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2195 - acc: 0.9262\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2185 - acc: 0.9263\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2175 - acc: 0.9273\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2166 - acc: 0.9267\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2157 - acc: 0.9283\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 0s 45us/step - loss: 0.2148 - acc: 0.9281\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2138 - acc: 0.9282\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2130 - acc: 0.9277\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2121 - acc: 0.9290\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2112 - acc: 0.9289\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2104 - acc: 0.9286\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2096 - acc: 0.9293\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2087 - acc: 0.9299\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2079 - acc: 0.9305\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9298\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2064 - acc: 0.9307\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2057 - acc: 0.9305\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2049 - acc: 0.9303\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2042 - acc: 0.9306\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9311\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2027 - acc: 0.9315\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2021 - acc: 0.9318\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2014 - acc: 0.9315\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2007 - acc: 0.9317\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2000 - acc: 0.9318\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1994 - acc: 0.9325\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1988 - acc: 0.9322\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1981 - acc: 0.9325\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1975 - acc: 0.9318\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1968 - acc: 0.9329\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1963 - acc: 0.9329\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1956 - acc: 0.9326\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9337\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9330\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2388 - acc: 0.9190\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2374 - acc: 0.9203\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2360 - acc: 0.9203\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2346 - acc: 0.9208\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2333 - acc: 0.9207\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2320 - acc: 0.9223\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2307 - acc: 0.9222\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2295 - acc: 0.9220\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2283 - acc: 0.9233\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2270 - acc: 0.9245\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2259 - acc: 0.9235\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2248 - acc: 0.9238\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2237 - acc: 0.9247\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2226 - acc: 0.9253\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2215 - acc: 0.9246\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 0s 48us/step - loss: 0.2206 - acc: 0.9259\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2195 - acc: 0.9265\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2185 - acc: 0.9265\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2175 - acc: 0.9277\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2165 - acc: 0.9275\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2156 - acc: 0.9274\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2147 - acc: 0.9282\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2138 - acc: 0.9281\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2129 - acc: 0.9282\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2121 - acc: 0.9289\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2112 - acc: 0.9278\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2104 - acc: 0.9286\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2096 - acc: 0.9290\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2087 - acc: 0.9297\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2079 - acc: 0.9298\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2072 - acc: 0.9299\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2063 - acc: 0.9305\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2056 - acc: 0.9303\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2049 - acc: 0.9302\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2042 - acc: 0.9309\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 0s 45us/step - loss: 0.2034 - acc: 0.9311\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2028 - acc: 0.9303\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2020 - acc: 0.9318\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2013 - acc: 0.9319\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2007 - acc: 0.9315\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2000 - acc: 0.9318\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1993 - acc: 0.9327\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1987 - acc: 0.9329\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1981 - acc: 0.9334\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1975 - acc: 0.9326\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1968 - acc: 0.9331\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1962 - acc: 0.9325\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1956 - acc: 0.9334\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9329\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9334\n",
+      ">>\n",
+      ".\n",
+      "Epoch 1/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2390 - acc: 0.9194\n",
+      "Epoch 2/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2375 - acc: 0.9200\n",
+      "Epoch 3/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2361 - acc: 0.9208\n",
+      "Epoch 4/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2348 - acc: 0.9203\n",
+      "Epoch 5/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2334 - acc: 0.9218\n",
+      "Epoch 6/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2321 - acc: 0.9219\n",
+      "Epoch 7/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2308 - acc: 0.9224\n",
+      "Epoch 8/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2296 - acc: 0.9230\n",
+      "Epoch 9/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2284 - acc: 0.9234\n",
+      "Epoch 10/50\n",
+      "7479/7479 [==============================] - 0s 46us/step - loss: 0.2272 - acc: 0.9237\n",
+      "Epoch 11/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2260 - acc: 0.9242\n",
+      "Epoch 12/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2249 - acc: 0.9243\n",
+      "Epoch 13/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2238 - acc: 0.9243\n",
+      "Epoch 14/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2227 - acc: 0.9247\n",
+      "Epoch 15/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2217 - acc: 0.9254\n",
+      "Epoch 16/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2206 - acc: 0.9253\n",
+      "Epoch 17/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2196 - acc: 0.9261\n",
+      "Epoch 18/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2186 - acc: 0.9262\n",
+      "Epoch 19/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2176 - acc: 0.9273\n",
+      "Epoch 20/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2167 - acc: 0.9273\n",
+      "Epoch 21/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2157 - acc: 0.9270\n",
+      "Epoch 22/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2148 - acc: 0.9283\n",
+      "Epoch 23/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2139 - acc: 0.9283\n",
+      "Epoch 24/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2130 - acc: 0.9283\n",
+      "Epoch 25/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2122 - acc: 0.9289\n",
+      "Epoch 26/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2113 - acc: 0.9287\n",
+      "Epoch 27/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2104 - acc: 0.9289\n",
+      "Epoch 28/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2096 - acc: 0.9287\n",
+      "Epoch 29/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2088 - acc: 0.9290\n",
+      "Epoch 30/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2080 - acc: 0.9293\n",
+      "Epoch 31/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2072 - acc: 0.9297\n",
+      "Epoch 32/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2064 - acc: 0.9298\n",
+      "Epoch 33/50\n",
+      "7479/7479 [==============================] - 0s 45us/step - loss: 0.2058 - acc: 0.9297\n",
+      "Epoch 34/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2050 - acc: 0.9306\n",
+      "Epoch 35/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2042 - acc: 0.9306\n",
+      "Epoch 36/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2035 - acc: 0.9310\n",
+      "Epoch 37/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2028 - acc: 0.9315\n",
+      "Epoch 38/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2021 - acc: 0.9313\n",
+      "Epoch 39/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2014 - acc: 0.9310\n",
+      "Epoch 40/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.2007 - acc: 0.9313\n",
+      "Epoch 41/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.2001 - acc: 0.9322\n",
+      "Epoch 42/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1995 - acc: 0.9315\n",
+      "Epoch 43/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1988 - acc: 0.9317\n",
+      "Epoch 44/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1981 - acc: 0.9318\n",
+      "Epoch 45/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1975 - acc: 0.9322\n",
+      "Epoch 46/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1969 - acc: 0.9325\n",
+      "Epoch 47/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1963 - acc: 0.9327\n",
+      "Epoch 48/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1957 - acc: 0.9325\n",
+      "Epoch 49/50\n",
+      "7479/7479 [==============================] - 0s 43us/step - loss: 0.1951 - acc: 0.9329\n",
+      "Epoch 50/50\n",
+      "7479/7479 [==============================] - 0s 44us/step - loss: 0.1945 - acc: 0.9337\n",
+      "   0.9092741115866867\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.191219  , 0.27326334, 0.97852647, ..., 0.04910662, 0.94311446,\n",
+       "       0.1081358 ])"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "#Logistic regression (SGD)\n",
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    for mod in range(5):\n",
+    "        print('>>')\n",
+    "        curr_try = 0\n",
+    "        while curr_try <10:\n",
+    "            print('.')\n",
+    "\n",
+    "            model = Sequential()\n",
+    "            model.add(Dense(1, activation='sigmoid'))\n",
+    "            # Compile model\n",
+    "            opt = keras.optimizers.Adam(epsilon=None, amsgrad=True)\n",
+    "            model.compile(loss='binary_crossentropy', optimizer=opt, metrics=['accuracy'])\n",
+    "            \n",
+    "            # Fit the model\n",
+    "            history = model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=0)\n",
+    "            if history.history['acc'][-1] > 0.53:\n",
+    "                break\n",
+    "            else:\n",
+    "                curr_try += 1\n",
+    "\n",
+    "        # Fit the model\n",
+    "        model.fit(X[train,:], y[train], epochs=50, batch_size=64, verbose=1)\n",
+    "        \n",
+    "        # evaluate the model\n",
+    "        probas_ = model.predict(X[test,:])\n",
+    "        prbs.append(probas_)\n",
+    "    # Average the predictions\n",
+    "    probas_ = np.mean(np.hstack(prbs), axis=1)\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.lr.v4_ext.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.9098222459124671\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/fast_data/drewe/software/envs/tf_gpu/lib/python3.6/site-packages/sklearn/linear_model/_logistic.py:940: ConvergenceWarning: lbfgs failed to converge (status=1):\n",
+      "STOP: TOTAL NO. of ITERATIONS REACHED LIMIT.\n",
+      "\n",
+      "Increase the number of iterations (max_iter) or scale the data as shown in:\n",
+      "    https://scikit-learn.org/stable/modules/preprocessing.html\n",
+      "Please also refer to the documentation for alternative solver options:\n",
+      "    https://scikit-learn.org/stable/modules/linear_model.html#logistic-regression\n",
+      "  extra_warning_msg=_LOGISTIC_SOLVER_CONVERGENCE_MSG)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "   0.9059896406679103\n",
+      "   0.9144572938272749\n",
+      "   0.9007954900983789\n",
+      "   0.9133072225634132\n",
+      "   0.895995318601606\n",
+      "   0.9145124847923064\n",
+      "   0.8979781009211516\n",
+      "   0.9030154683969642\n",
+      "   0.9073663242135096\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.3525606 , 0.2494471 , 0.98007672, ..., 0.06643755, 0.86553187,\n",
+       "       0.11520544])"
+      ]
+     },
+     "execution_count": 13,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "#Logistic regression (scikit)\n",
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = LogisticRegression(random_state=0)\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "    \n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.lr2.v4_ext.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      "   0.8903898075296354\n",
+      ">>\n",
+      "   0.8864558106119422\n",
+      ">>\n",
+      "   0.8847234614537828\n",
+      ">>\n",
+      "   0.8610557480387954\n",
+      ">>\n",
+      "   0.8935995782106398\n",
+      ">>\n",
+      "   0.8672348462902236\n",
+      ">>\n",
+      "   0.8833903018365101\n",
+      ">>\n",
+      "   0.8821331324952205\n",
+      ">>\n",
+      "   0.8771073518336134\n",
+      ">>\n",
+      "   0.8798936052825674\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.2541524 , 0.23359182, 0.80675604, ..., 0.18775895, 0.49521864,\n",
+       "       0.27560522])"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    print('>>')\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = RandomForestClassifier(n_estimators=1000, random_state=0, max_leaf_nodes=200)\n",
+    "    # Fit the model\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "\n",
+    "    \n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "\n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.rf.v4_ext.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      ">>\n",
+      "   0.8961111947994763\n",
+      ">>\n",
+      "   0.9161432925062862\n",
+      ">>\n",
+      "   0.9201786810971159\n",
+      ">>\n",
+      "   0.9135331811492602\n",
+      ">>\n",
+      "   0.9060939292459936\n",
+      ">>\n",
+      "   0.9149584583830634\n",
+      ">>\n",
+      "   0.906963675337466\n",
+      ">>\n",
+      "   0.9028126991483691\n",
+      ">>\n",
+      "   0.9167921904872255\n",
+      ">>\n",
+      "   0.895454994221466\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.17113368, 0.09954229, 0.3102958 , ..., 0.11191282, 0.89457673,\n",
+       "       0.22076209])"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "cv = StratifiedKFold(n_splits=10)\n",
+    "results = np.zeros_like(y, dtype=float)\n",
+    "\n",
+    "tprs = []\n",
+    "aucs = []\n",
+    "mean_fpr = np.linspace(0, 1, 100)\n",
+    "\n",
+    "i = 0\n",
+    "for train, test in cv.split(X, y):\n",
+    "    print('>>')\n",
+    "    keras.backend.clear_session()\n",
+    "    prbs=[]\n",
+    "    model = SVC(kernel='rbf', gamma='scale', probability=True)\n",
+    "    # Fit the model\n",
+    "    model.fit(X[train,:], y[train])\n",
+    "\n",
+    "    \n",
+    "    probas_ = model.predict_proba(X[test,:])[:, 1]\n",
+    "    results[test] = probas_\n",
+    "\n",
+    "    # Compute ROC curve and area the curve\n",
+    "    fpr, tpr, thresholds = roc_curve(y[test], probas_[ :])\n",
+    "    print('   ' + str(auc(fpr, tpr)))\n",
+    "    tprs.append(interp(mean_fpr, fpr, tpr))\n",
+    "    tprs[-1][0] = 0.0\n",
+    "    roc_auc = auc(fpr, tpr)\n",
+    "    aucs.append(roc_auc)\n",
+    "    plt.plot(fpr, tpr, lw=1, alpha=0.3,\n",
+    "             label='ROC fold %d (AUC = %0.2f)' % (i, roc_auc))\n",
+    "\n",
+    "    i += 1\n",
+    "plt.plot([0, 1], [0, 1], linestyle='--', lw=2, color='r',\n",
+    "         label='Chance', alpha=.8)\n",
+    "\n",
+    "mean_tpr = np.mean(tprs, axis=0)\n",
+    "mean_tpr[-1] = 1.0\n",
+    "mean_auc = auc(mean_fpr, mean_tpr)\n",
+    "std_auc = np.std(aucs)\n",
+    "plt.plot(mean_fpr, mean_tpr, color='b',\n",
+    "         label=r'Mean ROC (AUC = %0.2f $\\pm$ %0.2f)' % (mean_auc, std_auc),\n",
+    "         lw=2, alpha=.8)\n",
+    "\n",
+    "std_tpr = np.std(tprs, axis=0)\n",
+    "tprs_upper = np.minimum(mean_tpr + std_tpr, 1)\n",
+    "tprs_lower = np.maximum(mean_tpr - std_tpr, 0)\n",
+    "plt.fill_between(mean_fpr, tprs_lower, tprs_upper, color='grey', alpha=.2,\n",
+    "                 label=r'$\\pm$ 1 std. dev.')\n",
+    "\n",
+    "plt.xlim([-0.05, 1.05])\n",
+    "plt.ylim([-0.05, 1.05])\n",
+    "plt.xlabel('False Positive Rate')\n",
+    "plt.ylabel('True Positive Rate')\n",
+    "plt.title('Receiver operating characteristic example')\n",
+    "plt.legend(loc=\"lower right\")\n",
+    "plt.show()\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "df_results = pd.DataFrame(data={\"name\": names, 'pred': results})\n",
+    "df_results.to_csv('/home/drewe/notebooks/genotox/pred.svm.v4_ext.csv', index=None)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.hist(results[y==0],100, color='red', alpha=0.5)\n",
+    "plt.hist(results[y==1],100, color='blue', alpha=0.5)\n",
+    "plt.show()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.9.1"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/crossvalidations/summary.yaml b/crossvalidations/summary.yaml
new file mode 100644
index 0000000..40004e4
--- /dev/null
+++ b/crossvalidations/summary.yaml
@@ -0,0 +1,240 @@
+---
+:cv:
+  lazar-mp2d-all:
+    :tp: 3334
+    :fp: 830
+    :tn: 3054
+    :fn: 572
+    :n: 7790
+    :acc: 0.82
+    :tpr: 0.85
+    :fpr: 0.21
+    :tnr: 0.79
+    :ppv: 0.8
+    :npv: 0.84
+    :acc_perc: 82
+    :tpr_perc: 85
+    :tnr_perc: 79
+    :ppv_perc: 80
+    :npv_perc: 84
+  lazar-mp2d-high-confidence:
+    :tp: 2807
+    :fp: 560
+    :tn: 2089
+    :fn: 352
+    :n: 5808
+    :acc: 0.84
+    :tpr: 0.89
+    :fpr: 0.21
+    :tnr: 0.79
+    :ppv: 0.83
+    :npv: 0.86
+    :acc_perc: 84
+    :tpr_perc: 89
+    :tnr_perc: 79
+    :ppv_perc: 83
+    :npv_perc: 86
+  lazar-cdk-all:
+    :tp: 700
+    :fp: 1583
+    :tn: 2410
+    :fn: 3390
+    :n: 8083
+    :acc: 0.38
+    :tpr: 0.17
+    :fpr: 0.4
+    :tnr: 0.6
+    :ppv: 0.31
+    :npv: 0.42
+    :acc_perc: 38
+    :tpr_perc: 17
+    :tnr_perc: 60
+    :ppv_perc: 31
+    :npv_perc: 42
+  lazar-cdk-high-confidence:
+    :tp: 700
+    :fp: 1583
+    :tn: 2410
+    :fn: 3390
+    :n: 8083
+    :acc: 0.38
+    :tpr: 0.17
+    :fpr: 0.4
+    :tnr: 0.6
+    :ppv: 0.31
+    :npv: 0.42
+    :acc_perc: 38
+    :tpr_perc: 17
+    :tnr_perc: 60
+    :ppv_perc: 31
+    :npv_perc: 42
+  tensorflow-rf-mp2d:
+    :tp: 3197
+    :fp: 893
+    :tn: 3458
+    :fn: 742
+    :n: 8290
+    :acc: 0.8
+    :tpr: 0.81
+    :fpr: 0.21
+    :tnr: 0.79
+    :ppv: 0.78
+    :npv: 0.82
+    :acc_perc: 80
+    :tpr_perc: 81
+    :tnr_perc: 79
+    :ppv_perc: 78
+    :npv_perc: 82
+  tensorflow-lr-mp2d:
+    :tp: 3414
+    :fp: 676
+    :tn: 3541
+    :fn: 659
+    :n: 8290
+    :acc: 0.84
+    :tpr: 0.84
+    :fpr: 0.16
+    :tnr: 0.84
+    :ppv: 0.83
+    :npv: 0.84
+    :acc_perc: 84
+    :tpr_perc: 84
+    :tnr_perc: 84
+    :ppv_perc: 83
+    :npv_perc: 84
+  tensorflow-lr2-mp2d:
+    :tp: 3398
+    :fp: 692
+    :tn: 3560
+    :fn: 640
+    :n: 8290
+    :acc: 0.84
+    :tpr: 0.84
+    :fpr: 0.16
+    :tnr: 0.84
+    :ppv: 0.83
+    :npv: 0.85
+    :acc_perc: 84
+    :tpr_perc: 84
+    :tnr_perc: 84
+    :ppv_perc: 83
+    :npv_perc: 85
+  tensorflow-nn-mp2d:
+    :tp: 3375
+    :fp: 715
+    :tn: 3585
+    :fn: 615
+    :n: 8290
+    :acc: 0.84
+    :tpr: 0.85
+    :fpr: 0.17
+    :tnr: 0.83
+    :ppv: 0.83
+    :npv: 0.85
+    :acc_perc: 84
+    :tpr_perc: 85
+    :tnr_perc: 83
+    :ppv_perc: 83
+    :npv_perc: 85
+  tensorflow-svm-mp2d:
+    :tp: 3390
+    :fp: 700
+    :tn: 3611
+    :fn: 589
+    :n: 8290
+    :acc: 0.84
+    :tpr: 0.85
+    :fpr: 0.16
+    :tnr: 0.84
+    :ppv: 0.83
+    :npv: 0.86
+    :acc_perc: 84
+    :tpr_perc: 85
+    :tnr_perc: 84
+    :ppv_perc: 83
+    :npv_perc: 86
+  tensorflow-rf-cdk:
+    :tp: 3273
+    :fp: 747
+    :tn: 3483
+    :fn: 562
+    :n: 8065
+    :acc: 0.84
+    :tpr: 0.85
+    :fpr: 0.18
+    :tnr: 0.82
+    :ppv: 0.81
+    :npv: 0.86
+    :acc_perc: 84
+    :tpr_perc: 85
+    :tnr_perc: 82
+    :ppv_perc: 81
+    :npv_perc: 86
+  tensorflow-lr-cdk:
+    :tp: 3252
+    :fp: 768
+    :tn: 3165
+    :fn: 880
+    :n: 8065
+    :acc: 0.8
+    :tpr: 0.79
+    :fpr: 0.2
+    :tnr: 0.8
+    :ppv: 0.81
+    :npv: 0.78
+    :acc_perc: 80
+    :tpr_perc: 79
+    :tnr_perc: 80
+    :ppv_perc: 81
+    :npv_perc: 78
+  tensorflow-lr2-cdk:
+    :tp: 3215
+    :fp: 805
+    :tn: 3251
+    :fn: 794
+    :n: 8065
+    :acc: 0.8
+    :tpr: 0.8
+    :fpr: 0.2
+    :tnr: 0.8
+    :ppv: 0.8
+    :npv: 0.8
+    :acc_perc: 80
+    :tpr_perc: 80
+    :tnr_perc: 80
+    :ppv_perc: 80
+    :npv_perc: 80
+  tensorflow-nn-cdk:
+    :tp: 3419
+    :fp: 601
+    :tn: 3435
+    :fn: 610
+    :n: 8065
+    :acc: 0.85
+    :tpr: 0.85
+    :fpr: 0.15
+    :tnr: 0.85
+    :ppv: 0.85
+    :npv: 0.85
+    :acc_perc: 85
+    :tpr_perc: 85
+    :tnr_perc: 85
+    :ppv_perc: 85
+    :npv_perc: 85
+  tensorflow-svm-cdk:
+    :tp: 3292
+    :fp: 728
+    :tn: 3332
+    :fn: 713
+    :n: 8065
+    :acc: 0.82
+    :tpr: 0.82
+    :fpr: 0.18
+    :tnr: 0.82
+    :ppv: 0.82
+    :npv: 0.82
+    :acc_perc: 82
+    :tpr_perc: 82
+    :tnr_perc: 82
+    :ppv_perc: 82
+    :npv_perc: 82